USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 HIS : no HD1:sc= -4.95! C(o=-4.9!,f=-5.3!) USER MOD Single : A 42 SER OG : rot -17:sc= -0.124 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -5.1! C(o=-5.1!,f=-5.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00526 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.1!) USER MOD Single : A 67 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.46) USER MOD Single : A 68 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 73 CYS SG : rot 57:sc= -2.04 USER MOD Single : A 76 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.6!) USER MOD Single : A 89 MET CE :methyl -162:sc= -1.76 (180deg=-2.12!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 108 GLN : amide:sc= -0.838 K(o=-0.84,f=-0.22) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -14:sc= 0.578 USER MOD Single : A 116 SER OG : rot -49:sc= -2.13! USER MOD Single : A 118 CYS SG : rot 34:sc= 0.578 USER MOD Single : A 120 GLN : amide:sc= 0.312 K(o=0.31,f=-0.39) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 0.244 9.187 -4.030 1.00 1.00 N ATOM 109 CA GLU A 39 1.305 9.758 -3.206 1.00 1.00 C ATOM 110 C GLU A 39 0.795 10.043 -1.797 1.00 1.00 C ATOM 111 O GLU A 39 -0.393 9.888 -1.511 1.00 1.00 O ATOM 112 CB GLU A 39 1.823 11.054 -3.840 1.00 1.00 C ATOM 113 CG GLU A 39 2.716 10.727 -5.046 1.00 1.00 C ATOM 114 CD GLU A 39 1.862 10.200 -6.194 1.00 1.00 C ATOM 115 OE1 GLU A 39 0.659 10.404 -6.154 1.00 1.00 O ATOM 116 OE2 GLU A 39 2.422 9.596 -7.092 1.00 1.00 O ATOM 0 HA GLU A 39 2.119 9.036 -3.145 1.00 1.00 H new ATOM 0 HB2 GLU A 39 0.985 11.675 -4.155 1.00 1.00 H new ATOM 0 HB3 GLU A 39 2.386 11.629 -3.105 1.00 1.00 H new ATOM 0 HG2 GLU A 39 3.256 11.619 -5.362 1.00 1.00 H new ATOM 0 HG3 GLU A 39 3.463 9.984 -4.766 1.00 1.00 H new ATOM 123 N TRP A 40 1.705 10.443 -0.915 1.00 1.00 N ATOM 124 CA TRP A 40 1.340 10.735 0.464 1.00 1.00 C ATOM 125 C TRP A 40 2.445 11.536 1.139 1.00 1.00 C ATOM 126 O TRP A 40 2.207 12.621 1.670 1.00 1.00 O ATOM 127 CB TRP A 40 1.094 9.428 1.222 1.00 1.00 C ATOM 128 CG TRP A 40 2.203 8.468 0.936 1.00 1.00 C ATOM 129 CD1 TRP A 40 2.332 7.736 -0.200 1.00 1.00 C ATOM 130 CD2 TRP A 40 3.338 8.118 1.781 1.00 1.00 C ATOM 131 NE1 TRP A 40 3.478 6.968 -0.104 1.00 1.00 N ATOM 132 CE2 TRP A 40 4.130 7.168 1.098 1.00 1.00 C ATOM 133 CE3 TRP A 40 3.753 8.530 3.062 1.00 1.00 C ATOM 134 CZ2 TRP A 40 5.293 6.644 1.662 1.00 1.00 C ATOM 135 CZ3 TRP A 40 4.923 8.004 3.631 1.00 1.00 C ATOM 136 CH2 TRP A 40 5.691 7.061 2.932 1.00 1.00 C ATOM 0 H TRP A 40 2.694 10.571 -1.130 1.00 1.00 H new ATOM 0 HA TRP A 40 0.425 11.327 0.474 1.00 1.00 H new ATOM 0 HB2 TRP A 40 1.034 9.622 2.293 1.00 1.00 H new ATOM 0 HB3 TRP A 40 0.139 8.996 0.923 1.00 1.00 H new ATOM 0 HD1 TRP A 40 1.652 7.751 -1.039 1.00 1.00 H new ATOM 0 HE1 TRP A 40 3.803 6.331 -0.832 1.00 1.00 H new ATOM 0 HE3 TRP A 40 3.168 9.254 3.609 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 5.882 5.920 1.119 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 5.234 8.327 4.613 1.00 1.00 H new ATOM 0 HH2 TRP A 40 6.589 6.658 3.377 1.00 1.00 H new ATOM 147 N LEU A 41 3.656 10.995 1.114 1.00 1.00 N ATOM 148 CA LEU A 41 4.790 11.668 1.727 1.00 1.00 C ATOM 149 C LEU A 41 5.147 12.925 0.934 1.00 1.00 C ATOM 150 O LEU A 41 5.847 13.811 1.420 1.00 1.00 O ATOM 151 CB LEU A 41 6.000 10.707 1.791 1.00 1.00 C ATOM 152 CG LEU A 41 6.791 10.935 3.088 1.00 1.00 C ATOM 153 CD1 LEU A 41 7.827 9.830 3.265 1.00 1.00 C ATOM 154 CD2 LEU A 41 7.484 12.308 3.053 1.00 1.00 C ATOM 0 H LEU A 41 3.876 10.099 0.679 1.00 1.00 H new ATOM 0 HA LEU A 41 4.523 11.964 2.742 1.00 1.00 H new ATOM 0 HB2 LEU A 41 5.656 9.674 1.743 1.00 1.00 H new ATOM 0 HB3 LEU A 41 6.647 10.868 0.929 1.00 1.00 H new ATOM 0 HG LEU A 41 6.101 10.913 3.931 1.00 1.00 H new ATOM 0 HD11 LEU A 41 8.384 9.998 4.187 1.00 1.00 H new ATOM 0 HD12 LEU A 41 7.324 8.864 3.316 1.00 1.00 H new ATOM 0 HD13 LEU A 41 8.514 9.837 2.419 1.00 1.00 H new ATOM 0 HD21 LEU A 41 8.041 12.458 3.978 1.00 1.00 H new ATOM 0 HD22 LEU A 41 8.169 12.348 2.206 1.00 1.00 H new ATOM 0 HD23 LEU A 41 6.734 13.092 2.951 1.00 1.00 H new ATOM 166 N SER A 42 4.672 12.979 -0.291 1.00 1.00 N ATOM 167 CA SER A 42 4.955 14.118 -1.151 1.00 1.00 C ATOM 168 C SER A 42 4.396 15.402 -0.547 1.00 1.00 C ATOM 169 O SER A 42 5.047 16.448 -0.583 1.00 1.00 O ATOM 170 CB SER A 42 4.342 13.901 -2.532 1.00 1.00 C ATOM 171 OG SER A 42 4.752 12.636 -3.032 1.00 1.00 O ATOM 0 H SER A 42 4.092 12.256 -0.716 1.00 1.00 H new ATOM 0 HA SER A 42 6.037 14.211 -1.244 1.00 1.00 H new ATOM 0 HB2 SER A 42 3.255 13.946 -2.471 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.657 14.693 -3.211 1.00 1.00 H new ATOM 0 HG SER A 42 5.524 12.317 -2.520 1.00 1.00 H new ATOM 177 N SER A 43 3.183 15.323 -0.008 1.00 1.00 N ATOM 178 CA SER A 43 2.548 16.498 0.578 1.00 1.00 C ATOM 179 C SER A 43 3.469 17.155 1.602 1.00 1.00 C ATOM 180 O SER A 43 3.856 18.315 1.452 1.00 1.00 O ATOM 181 CB SER A 43 1.245 16.080 1.261 1.00 1.00 C ATOM 182 OG SER A 43 0.349 15.555 0.289 1.00 1.00 O ATOM 0 H SER A 43 2.626 14.469 0.035 1.00 1.00 H new ATOM 0 HA SER A 43 2.341 17.216 -0.215 1.00 1.00 H new ATOM 0 HB2 SER A 43 1.447 15.331 2.027 1.00 1.00 H new ATOM 0 HB3 SER A 43 0.794 16.936 1.763 1.00 1.00 H new ATOM 0 HG SER A 43 -0.486 15.285 0.726 1.00 1.00 H new ATOM 188 N LEU A 44 3.822 16.410 2.640 1.00 1.00 N ATOM 189 CA LEU A 44 4.706 16.932 3.678 1.00 1.00 C ATOM 190 C LEU A 44 6.134 16.978 3.158 1.00 1.00 C ATOM 191 O LEU A 44 6.432 16.435 2.099 1.00 1.00 O ATOM 192 CB LEU A 44 4.643 16.049 4.928 1.00 1.00 C ATOM 193 CG LEU A 44 4.553 14.562 4.504 1.00 1.00 C ATOM 194 CD1 LEU A 44 5.379 13.701 5.463 1.00 1.00 C ATOM 195 CD2 LEU A 44 3.089 14.100 4.533 1.00 1.00 C ATOM 0 H LEU A 44 3.514 15.449 2.787 1.00 1.00 H new ATOM 0 HA LEU A 44 4.380 17.938 3.942 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.527 16.210 5.545 1.00 1.00 H new ATOM 0 HB3 LEU A 44 3.778 16.319 5.534 1.00 1.00 H new ATOM 0 HG LEU A 44 4.945 14.456 3.492 1.00 1.00 H new ATOM 0 HD11 LEU A 44 5.313 12.656 5.162 1.00 1.00 H new ATOM 0 HD12 LEU A 44 6.420 14.022 5.435 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.992 13.812 6.476 1.00 1.00 H new ATOM 0 HD21 LEU A 44 3.032 13.053 4.234 1.00 1.00 H new ATOM 0 HD22 LEU A 44 2.692 14.211 5.542 1.00 1.00 H new ATOM 0 HD23 LEU A 44 2.502 14.707 3.844 1.00 1.00 H new ATOM 207 N ARG A 45 7.015 17.633 3.907 1.00 1.00 N ATOM 208 CA ARG A 45 8.419 17.756 3.520 1.00 1.00 C ATOM 209 C ARG A 45 9.328 17.219 4.614 1.00 1.00 C ATOM 210 O ARG A 45 9.327 17.718 5.739 1.00 1.00 O ATOM 211 CB ARG A 45 8.738 19.231 3.252 1.00 1.00 C ATOM 212 CG ARG A 45 8.245 19.629 1.846 1.00 1.00 C ATOM 213 CD ARG A 45 9.348 19.356 0.826 1.00 1.00 C ATOM 214 NE ARG A 45 8.858 19.601 -0.520 1.00 1.00 N ATOM 215 CZ ARG A 45 8.705 20.838 -0.976 1.00 1.00 C ATOM 216 NH1 ARG A 45 8.992 21.857 -0.212 1.00 1.00 N ATOM 217 NH2 ARG A 45 8.263 21.035 -2.187 1.00 1.00 N ATOM 0 H ARG A 45 6.782 18.089 4.789 1.00 1.00 H new ATOM 0 HA ARG A 45 8.591 17.170 2.617 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.260 19.858 4.005 1.00 1.00 H new ATOM 0 HB3 ARG A 45 9.812 19.400 3.331 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.349 19.064 1.589 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.972 20.684 1.829 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.208 19.994 1.030 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.688 18.324 0.915 1.00 1.00 H new ATOM 0 HE ARG A 45 8.628 18.811 -1.123 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.334 21.703 0.736 1.00 1.00 H new ATOM 0 HH12 ARG A 45 8.874 22.807 -0.564 1.00 1.00 H new ATOM 0 HH21 ARG A 45 8.035 20.239 -2.783 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.145 21.985 -2.539 1.00 1.00 H new ATOM 231 N ALA A 46 10.117 16.208 4.268 1.00 1.00 N ATOM 232 CA ALA A 46 11.044 15.614 5.225 1.00 1.00 C ATOM 233 C ALA A 46 12.435 16.213 5.053 1.00 1.00 C ATOM 234 O ALA A 46 12.762 16.745 3.993 1.00 1.00 O ATOM 235 CB ALA A 46 11.113 14.108 5.006 1.00 1.00 C ATOM 0 H ALA A 46 10.134 15.785 3.340 1.00 1.00 H new ATOM 0 HA ALA A 46 10.688 15.822 6.234 1.00 1.00 H new ATOM 0 HB1 ALA A 46 11.806 13.668 5.722 1.00 1.00 H new ATOM 0 HB2 ALA A 46 10.123 13.674 5.146 1.00 1.00 H new ATOM 0 HB3 ALA A 46 11.459 13.903 3.993 1.00 1.00 H new ATOM 241 N HIS A 47 13.246 16.116 6.101 1.00 1.00 N ATOM 242 CA HIS A 47 14.606 16.639 6.057 1.00 1.00 C ATOM 243 C HIS A 47 15.500 15.935 7.067 1.00 1.00 C ATOM 244 O HIS A 47 15.292 16.049 8.271 1.00 1.00 O ATOM 245 CB HIS A 47 14.606 18.137 6.340 1.00 1.00 C ATOM 246 CG HIS A 47 15.963 18.703 6.024 1.00 1.00 C ATOM 247 ND1 HIS A 47 17.082 18.413 6.790 1.00 1.00 N ATOM 248 CD2 HIS A 47 16.395 19.545 5.032 1.00 1.00 C ATOM 249 CE1 HIS A 47 18.124 19.071 6.249 1.00 1.00 C ATOM 250 NE2 HIS A 47 17.761 19.776 5.177 1.00 1.00 N ATOM 0 H HIS A 47 12.987 15.682 6.987 1.00 1.00 H new ATOM 0 HA HIS A 47 14.999 16.456 5.057 1.00 1.00 H new ATOM 0 HB2 HIS A 47 13.844 18.632 5.739 1.00 1.00 H new ATOM 0 HB3 HIS A 47 14.357 18.321 7.385 1.00 1.00 H new ATOM 0 HD1 HIS A 47 17.110 17.811 7.613 1.00 1.00 H new ATOM 0 HD2 HIS A 47 15.771 19.965 4.257 1.00 1.00 H new ATOM 0 HE1 HIS A 47 19.132 19.033 6.636 1.00 1.00 H new ATOM 259 N VAL A 48 16.494 15.206 6.573 1.00 1.00 N ATOM 260 CA VAL A 48 17.418 14.486 7.448 1.00 1.00 C ATOM 261 C VAL A 48 18.723 15.262 7.568 1.00 1.00 C ATOM 262 O VAL A 48 19.216 15.817 6.587 1.00 1.00 O ATOM 263 CB VAL A 48 17.690 13.077 6.884 1.00 1.00 C ATOM 264 CG1 VAL A 48 16.401 12.492 6.308 1.00 1.00 C ATOM 265 CG2 VAL A 48 18.763 13.133 5.785 1.00 1.00 C ATOM 0 H VAL A 48 16.682 15.097 5.576 1.00 1.00 H new ATOM 0 HA VAL A 48 16.970 14.388 8.437 1.00 1.00 H new ATOM 0 HB VAL A 48 18.049 12.443 7.695 1.00 1.00 H new ATOM 0 HG11 VAL A 48 16.599 11.496 5.911 1.00 1.00 H new ATOM 0 HG12 VAL A 48 15.648 12.426 7.094 1.00 1.00 H new ATOM 0 HG13 VAL A 48 16.035 13.136 5.508 1.00 1.00 H new ATOM 0 HG21 VAL A 48 18.941 12.129 5.399 1.00 1.00 H new ATOM 0 HG22 VAL A 48 18.421 13.778 4.975 1.00 1.00 H new ATOM 0 HG23 VAL A 48 19.689 13.532 6.200 1.00 1.00 H new ATOM 275 N VAL A 49 19.280 15.299 8.766 1.00 1.00 N ATOM 276 CA VAL A 49 20.532 16.007 8.989 1.00 1.00 C ATOM 277 C VAL A 49 21.718 15.141 8.573 1.00 1.00 C ATOM 278 O VAL A 49 22.270 14.395 9.377 1.00 1.00 O ATOM 279 CB VAL A 49 20.655 16.376 10.467 1.00 1.00 C ATOM 280 CG1 VAL A 49 21.962 17.136 10.696 1.00 1.00 C ATOM 281 CG2 VAL A 49 19.467 17.256 10.869 1.00 1.00 C ATOM 0 H VAL A 49 18.890 14.851 9.595 1.00 1.00 H new ATOM 0 HA VAL A 49 20.535 16.914 8.385 1.00 1.00 H new ATOM 0 HB VAL A 49 20.656 15.470 11.073 1.00 1.00 H new ATOM 0 HG11 VAL A 49 22.050 17.399 11.750 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.804 16.507 10.408 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.965 18.044 10.094 1.00 1.00 H new ATOM 0 HG21 VAL A 49 19.551 17.521 11.923 1.00 1.00 H new ATOM 0 HG22 VAL A 49 19.466 18.163 10.265 1.00 1.00 H new ATOM 0 HG23 VAL A 49 18.538 16.710 10.705 1.00 1.00 H new ATOM 291 N ARG A 50 22.114 15.257 7.310 1.00 1.00 N ATOM 292 CA ARG A 50 23.243 14.486 6.796 1.00 1.00 C ATOM 293 C ARG A 50 24.503 14.778 7.599 1.00 1.00 C ATOM 294 O ARG A 50 25.366 13.916 7.754 1.00 1.00 O ATOM 295 CB ARG A 50 23.479 14.821 5.324 1.00 1.00 C ATOM 296 CG ARG A 50 23.611 16.336 5.161 1.00 1.00 C ATOM 297 CD ARG A 50 23.856 16.671 3.689 1.00 1.00 C ATOM 298 NE ARG A 50 23.968 18.114 3.512 1.00 1.00 N ATOM 299 CZ ARG A 50 23.866 18.669 2.309 1.00 1.00 C ATOM 300 NH1 ARG A 50 23.662 17.920 1.260 1.00 1.00 N ATOM 301 NH2 ARG A 50 23.967 19.963 2.176 1.00 1.00 N ATOM 0 H ARG A 50 21.674 15.873 6.626 1.00 1.00 H new ATOM 0 HA ARG A 50 23.007 13.426 6.891 1.00 1.00 H new ATOM 0 HB2 ARG A 50 24.382 14.326 4.968 1.00 1.00 H new ATOM 0 HB3 ARG A 50 22.652 14.450 4.718 1.00 1.00 H new ATOM 0 HG2 ARG A 50 22.705 16.831 5.512 1.00 1.00 H new ATOM 0 HG3 ARG A 50 24.434 16.708 5.771 1.00 1.00 H new ATOM 0 HD2 ARG A 50 24.768 16.183 3.345 1.00 1.00 H new ATOM 0 HD3 ARG A 50 23.039 16.285 3.080 1.00 1.00 H new ATOM 0 HE ARG A 50 24.127 18.708 4.326 1.00 1.00 H new ATOM 0 HH11 ARG A 50 23.581 16.909 1.364 1.00 1.00 H new ATOM 0 HH12 ARG A 50 23.584 18.346 0.337 1.00 1.00 H new ATOM 0 HH21 ARG A 50 24.124 20.549 2.996 1.00 1.00 H new ATOM 0 HH22 ARG A 50 23.889 20.388 1.252 1.00 1.00 H new ATOM 315 N THR A 51 24.605 16.001 8.110 1.00 1.00 N ATOM 316 CA THR A 51 25.769 16.399 8.899 1.00 1.00 C ATOM 317 C THR A 51 25.508 16.167 10.385 1.00 1.00 C ATOM 318 O THR A 51 25.956 16.934 11.233 1.00 1.00 O ATOM 319 CB THR A 51 26.084 17.879 8.652 1.00 1.00 C ATOM 320 OG1 THR A 51 25.857 18.187 7.285 1.00 1.00 O ATOM 321 CG2 THR A 51 27.549 18.160 9.005 1.00 1.00 C ATOM 0 H THR A 51 23.902 16.730 7.994 1.00 1.00 H new ATOM 0 HA THR A 51 26.622 15.793 8.594 1.00 1.00 H new ATOM 0 HB THR A 51 25.439 18.497 9.277 1.00 1.00 H new ATOM 0 HG1 THR A 51 26.056 19.133 7.125 1.00 1.00 H new ATOM 0 HG21 THR A 51 27.770 19.213 8.829 1.00 1.00 H new ATOM 0 HG22 THR A 51 27.722 17.924 10.055 1.00 1.00 H new ATOM 0 HG23 THR A 51 28.198 17.544 8.383 1.00 1.00 H new ATOM 329 N GLY A 52 24.770 15.108 10.694 1.00 1.00 N ATOM 330 CA GLY A 52 24.458 14.801 12.080 1.00 1.00 C ATOM 331 C GLY A 52 23.625 13.528 12.186 1.00 1.00 C ATOM 332 O GLY A 52 23.337 13.054 13.282 1.00 1.00 O ATOM 0 H GLY A 52 24.382 14.456 10.012 1.00 1.00 H new ATOM 0 HA2 GLY A 52 25.382 14.683 12.646 1.00 1.00 H new ATOM 0 HA3 GLY A 52 23.914 15.633 12.527 1.00 1.00 H new ATOM 336 N ILE A 53 23.247 12.976 11.034 1.00 1.00 N ATOM 337 CA ILE A 53 22.459 11.747 10.988 1.00 1.00 C ATOM 338 C ILE A 53 23.137 10.716 10.089 1.00 1.00 C ATOM 339 O ILE A 53 22.641 9.612 9.920 1.00 1.00 O ATOM 340 CB ILE A 53 21.039 12.058 10.460 1.00 1.00 C ATOM 341 CG1 ILE A 53 20.011 11.154 11.167 1.00 1.00 C ATOM 342 CG2 ILE A 53 20.965 11.828 8.933 1.00 1.00 C ATOM 343 CD1 ILE A 53 18.691 11.150 10.397 1.00 1.00 C ATOM 0 H ILE A 53 23.475 13.362 10.118 1.00 1.00 H new ATOM 0 HA ILE A 53 22.386 11.336 11.995 1.00 1.00 H new ATOM 0 HB ILE A 53 20.812 13.103 10.669 1.00 1.00 H new ATOM 0 HG12 ILE A 53 20.400 10.138 11.241 1.00 1.00 H new ATOM 0 HG13 ILE A 53 19.845 11.507 12.185 1.00 1.00 H new ATOM 0 HG21 ILE A 53 19.958 12.052 8.580 1.00 1.00 H new ATOM 0 HG22 ILE A 53 21.679 12.481 8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 53 21.205 10.789 8.710 1.00 1.00 H new ATOM 0 HD11 ILE A 53 17.974 10.507 10.908 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.297 12.165 10.346 1.00 1.00 H new ATOM 0 HD13 ILE A 53 18.860 10.775 9.388 1.00 1.00 H new ATOM 355 N GLY A 54 24.255 11.091 9.504 1.00 1.00 N ATOM 356 CA GLY A 54 24.967 10.189 8.608 1.00 1.00 C ATOM 357 C GLY A 54 25.626 9.054 9.382 1.00 1.00 C ATOM 358 O GLY A 54 26.729 8.622 9.051 1.00 1.00 O ATOM 0 H GLY A 54 24.692 12.005 9.628 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.274 9.778 7.874 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.725 10.744 8.055 1.00 1.00 H new ATOM 362 N ARG A 55 24.940 8.580 10.413 1.00 1.00 N ATOM 363 CA ARG A 55 25.464 7.496 11.236 1.00 1.00 C ATOM 364 C ARG A 55 25.674 6.244 10.389 1.00 1.00 C ATOM 365 O ARG A 55 26.636 5.504 10.586 1.00 1.00 O ATOM 366 CB ARG A 55 24.487 7.189 12.390 1.00 1.00 C ATOM 367 CG ARG A 55 23.065 7.586 11.979 1.00 1.00 C ATOM 368 CD ARG A 55 22.069 6.951 12.948 1.00 1.00 C ATOM 369 NE ARG A 55 22.428 7.275 14.321 1.00 1.00 N ATOM 370 CZ ARG A 55 21.856 6.647 15.343 1.00 1.00 C ATOM 371 NH1 ARG A 55 20.960 5.724 15.122 1.00 1.00 N ATOM 372 NH2 ARG A 55 22.194 6.949 16.566 1.00 1.00 N ATOM 0 H ARG A 55 24.024 8.926 10.699 1.00 1.00 H new ATOM 0 HA ARG A 55 26.423 7.806 11.652 1.00 1.00 H new ATOM 0 HB2 ARG A 55 24.522 6.128 12.637 1.00 1.00 H new ATOM 0 HB3 ARG A 55 24.783 7.735 13.286 1.00 1.00 H new ATOM 0 HG2 ARG A 55 22.960 8.671 11.989 1.00 1.00 H new ATOM 0 HG3 ARG A 55 22.862 7.255 10.960 1.00 1.00 H new ATOM 0 HD2 ARG A 55 21.062 7.310 12.733 1.00 1.00 H new ATOM 0 HD3 ARG A 55 22.058 5.869 12.813 1.00 1.00 H new ATOM 0 HE ARG A 55 23.128 7.994 14.501 1.00 1.00 H new ATOM 0 HH11 ARG A 55 20.699 5.485 14.165 1.00 1.00 H new ATOM 0 HH12 ARG A 55 20.521 5.242 15.906 1.00 1.00 H new ATOM 0 HH21 ARG A 55 22.897 7.667 16.738 1.00 1.00 H new ATOM 0 HH22 ARG A 55 21.755 6.467 17.350 1.00 1.00 H new ATOM 386 N ALA A 56 24.761 6.009 9.454 1.00 1.00 N ATOM 387 CA ALA A 56 24.855 4.838 8.592 1.00 1.00 C ATOM 388 C ALA A 56 23.793 4.895 7.501 1.00 1.00 C ATOM 389 O ALA A 56 23.928 5.633 6.533 1.00 1.00 O ATOM 390 CB ALA A 56 24.683 3.562 9.422 1.00 1.00 C ATOM 0 H ALA A 56 23.955 6.607 9.275 1.00 1.00 H new ATOM 0 HA ALA A 56 25.839 4.829 8.122 1.00 1.00 H new ATOM 0 HB1 ALA A 56 24.755 2.691 8.770 1.00 1.00 H new ATOM 0 HB2 ALA A 56 25.465 3.513 10.180 1.00 1.00 H new ATOM 0 HB3 ALA A 56 23.707 3.572 9.907 1.00 1.00 H new ATOM 396 N ARG A 57 22.741 4.110 7.673 1.00 1.00 N ATOM 397 CA ARG A 57 21.643 4.070 6.711 1.00 1.00 C ATOM 398 C ARG A 57 20.626 5.167 7.015 1.00 1.00 C ATOM 399 O ARG A 57 19.800 5.514 6.171 1.00 1.00 O ATOM 400 CB ARG A 57 20.953 2.696 6.746 1.00 1.00 C ATOM 401 CG ARG A 57 20.091 2.545 8.012 1.00 1.00 C ATOM 402 CD ARG A 57 20.983 2.637 9.248 1.00 1.00 C ATOM 403 NE ARG A 57 20.288 2.102 10.408 1.00 1.00 N ATOM 404 CZ ARG A 57 20.555 2.541 11.633 1.00 1.00 C ATOM 405 NH1 ARG A 57 21.453 3.473 11.817 1.00 1.00 N ATOM 406 NH2 ARG A 57 19.921 2.039 12.653 1.00 1.00 N ATOM 0 H ARG A 57 22.621 3.488 8.473 1.00 1.00 H new ATOM 0 HA ARG A 57 22.054 4.237 5.715 1.00 1.00 H new ATOM 0 HB2 ARG A 57 20.329 2.575 5.860 1.00 1.00 H new ATOM 0 HB3 ARG A 57 21.704 1.907 6.717 1.00 1.00 H new ATOM 0 HG2 ARG A 57 19.329 3.324 8.041 1.00 1.00 H new ATOM 0 HG3 ARG A 57 19.569 1.588 7.998 1.00 1.00 H new ATOM 0 HD2 ARG A 57 21.907 2.083 9.081 1.00 1.00 H new ATOM 0 HD3 ARG A 57 21.262 3.675 9.428 1.00 1.00 H new ATOM 0 HE ARG A 57 19.583 1.377 10.279 1.00 1.00 H new ATOM 0 HH11 ARG A 57 21.951 3.866 11.018 1.00 1.00 H new ATOM 0 HH12 ARG A 57 21.655 3.807 12.759 1.00 1.00 H new ATOM 0 HH21 ARG A 57 19.221 1.311 12.510 1.00 1.00 H new ATOM 0 HH22 ARG A 57 20.124 2.374 13.595 1.00 1.00 H new ATOM 420 N ALA A 58 20.663 5.680 8.243 1.00 1.00 N ATOM 421 CA ALA A 58 19.721 6.707 8.663 1.00 1.00 C ATOM 422 C ALA A 58 19.548 7.754 7.570 1.00 1.00 C ATOM 423 O ALA A 58 18.456 8.274 7.369 1.00 1.00 O ATOM 424 CB ALA A 58 20.210 7.374 9.943 1.00 1.00 C ATOM 0 H ALA A 58 21.333 5.401 8.960 1.00 1.00 H new ATOM 0 HA ALA A 58 18.757 6.234 8.850 1.00 1.00 H new ATOM 0 HB1 ALA A 58 19.498 8.141 10.249 1.00 1.00 H new ATOM 0 HB2 ALA A 58 20.299 6.627 10.731 1.00 1.00 H new ATOM 0 HB3 ALA A 58 21.183 7.832 9.766 1.00 1.00 H new ATOM 430 N GLU A 59 20.632 8.058 6.875 1.00 1.00 N ATOM 431 CA GLU A 59 20.592 9.044 5.798 1.00 1.00 C ATOM 432 C GLU A 59 19.732 8.539 4.651 1.00 1.00 C ATOM 433 O GLU A 59 18.911 9.273 4.110 1.00 1.00 O ATOM 434 CB GLU A 59 22.008 9.327 5.296 1.00 1.00 C ATOM 435 CG GLU A 59 22.701 8.011 4.933 1.00 1.00 C ATOM 436 CD GLU A 59 24.182 8.253 4.682 1.00 1.00 C ATOM 437 OE1 GLU A 59 24.769 9.024 5.423 1.00 1.00 O ATOM 438 OE2 GLU A 59 24.709 7.662 3.754 1.00 1.00 O ATOM 0 H GLU A 59 21.549 7.640 7.033 1.00 1.00 H new ATOM 0 HA GLU A 59 20.157 9.965 6.185 1.00 1.00 H new ATOM 0 HB2 GLU A 59 21.971 9.982 4.425 1.00 1.00 H new ATOM 0 HB3 GLU A 59 22.578 9.850 6.064 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.574 7.289 5.740 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.239 7.580 4.045 1.00 1.00 H new ATOM 445 N LEU A 60 19.916 7.279 4.291 1.00 1.00 N ATOM 446 CA LEU A 60 19.154 6.677 3.213 1.00 1.00 C ATOM 447 C LEU A 60 17.679 7.068 3.306 1.00 1.00 C ATOM 448 O LEU A 60 16.915 6.944 2.351 1.00 1.00 O ATOM 449 CB LEU A 60 19.273 5.148 3.263 1.00 1.00 C ATOM 450 CG LEU A 60 18.720 4.526 1.955 1.00 1.00 C ATOM 451 CD1 LEU A 60 19.821 4.495 0.881 1.00 1.00 C ATOM 452 CD2 LEU A 60 18.237 3.100 2.227 1.00 1.00 C ATOM 0 H LEU A 60 20.589 6.653 4.732 1.00 1.00 H new ATOM 0 HA LEU A 60 19.562 7.044 2.271 1.00 1.00 H new ATOM 0 HB2 LEU A 60 20.316 4.861 3.398 1.00 1.00 H new ATOM 0 HB3 LEU A 60 18.722 4.761 4.120 1.00 1.00 H new ATOM 0 HG LEU A 60 17.887 5.132 1.599 1.00 1.00 H new ATOM 0 HD11 LEU A 60 19.424 4.057 -0.035 1.00 1.00 H new ATOM 0 HD12 LEU A 60 20.161 5.511 0.679 1.00 1.00 H new ATOM 0 HD13 LEU A 60 20.659 3.896 1.236 1.00 1.00 H new ATOM 0 HD21 LEU A 60 17.849 2.665 1.306 1.00 1.00 H new ATOM 0 HD22 LEU A 60 19.069 2.497 2.590 1.00 1.00 H new ATOM 0 HD23 LEU A 60 17.448 3.120 2.979 1.00 1.00 H new ATOM 464 N PHE A 61 17.283 7.528 4.473 1.00 1.00 N ATOM 465 CA PHE A 61 15.897 7.911 4.700 1.00 1.00 C ATOM 466 C PHE A 61 15.448 8.993 3.725 1.00 1.00 C ATOM 467 O PHE A 61 14.402 8.871 3.101 1.00 1.00 O ATOM 468 CB PHE A 61 15.731 8.428 6.132 1.00 1.00 C ATOM 469 CG PHE A 61 15.639 7.264 7.098 1.00 1.00 C ATOM 470 CD1 PHE A 61 16.647 6.298 7.130 1.00 1.00 C ATOM 471 CD2 PHE A 61 14.543 7.152 7.960 1.00 1.00 C ATOM 472 CE1 PHE A 61 16.555 5.227 8.018 1.00 1.00 C ATOM 473 CE2 PHE A 61 14.454 6.081 8.848 1.00 1.00 C ATOM 474 CZ PHE A 61 15.460 5.116 8.877 1.00 1.00 C ATOM 0 H PHE A 61 17.895 7.647 5.280 1.00 1.00 H new ATOM 0 HA PHE A 61 15.278 7.027 4.543 1.00 1.00 H new ATOM 0 HB2 PHE A 61 16.575 9.065 6.397 1.00 1.00 H new ATOM 0 HB3 PHE A 61 14.833 9.042 6.204 1.00 1.00 H new ATOM 0 HD1 PHE A 61 17.496 6.380 6.468 1.00 1.00 H new ATOM 0 HD2 PHE A 61 13.763 7.898 7.937 1.00 1.00 H new ATOM 0 HE1 PHE A 61 17.334 4.480 8.041 1.00 1.00 H new ATOM 0 HE2 PHE A 61 13.607 5.999 9.513 1.00 1.00 H new ATOM 0 HZ PHE A 61 15.392 4.284 9.563 1.00 1.00 H new ATOM 484 N GLU A 62 16.244 10.031 3.582 1.00 1.00 N ATOM 485 CA GLU A 62 15.904 11.115 2.670 1.00 1.00 C ATOM 486 C GLU A 62 15.777 10.620 1.236 1.00 1.00 C ATOM 487 O GLU A 62 15.024 11.172 0.441 1.00 1.00 O ATOM 488 CB GLU A 62 16.983 12.197 2.741 1.00 1.00 C ATOM 489 CG GLU A 62 18.264 11.714 2.052 1.00 1.00 C ATOM 490 CD GLU A 62 19.435 12.621 2.415 1.00 1.00 C ATOM 491 OE1 GLU A 62 19.206 13.802 2.615 1.00 1.00 O ATOM 492 OE2 GLU A 62 20.546 12.119 2.486 1.00 1.00 O ATOM 0 H GLU A 62 17.126 10.152 4.079 1.00 1.00 H new ATOM 0 HA GLU A 62 14.940 11.523 2.974 1.00 1.00 H new ATOM 0 HB2 GLU A 62 16.626 13.109 2.262 1.00 1.00 H new ATOM 0 HB3 GLU A 62 17.192 12.444 3.782 1.00 1.00 H new ATOM 0 HG2 GLU A 62 18.482 10.689 2.352 1.00 1.00 H new ATOM 0 HG3 GLU A 62 18.123 11.706 0.971 1.00 1.00 H new ATOM 499 N LYS A 63 16.543 9.602 0.909 1.00 1.00 N ATOM 500 CA LYS A 63 16.546 9.055 -0.448 1.00 1.00 C ATOM 501 C LYS A 63 15.212 8.423 -0.794 1.00 1.00 C ATOM 502 O LYS A 63 14.577 8.800 -1.778 1.00 1.00 O ATOM 503 CB LYS A 63 17.662 8.006 -0.592 1.00 1.00 C ATOM 504 CG LYS A 63 18.918 8.442 0.179 1.00 1.00 C ATOM 505 CD LYS A 63 19.576 9.661 -0.474 1.00 1.00 C ATOM 506 CE LYS A 63 20.563 9.195 -1.536 1.00 1.00 C ATOM 507 NZ LYS A 63 21.169 10.377 -2.193 1.00 1.00 N ATOM 0 H LYS A 63 17.174 9.131 1.557 1.00 1.00 H new ATOM 0 HA LYS A 63 16.724 9.880 -1.137 1.00 1.00 H new ATOM 0 HB2 LYS A 63 17.314 7.044 -0.217 1.00 1.00 H new ATOM 0 HB3 LYS A 63 17.905 7.868 -1.646 1.00 1.00 H new ATOM 0 HG2 LYS A 63 18.651 8.678 1.209 1.00 1.00 H new ATOM 0 HG3 LYS A 63 19.630 7.617 0.215 1.00 1.00 H new ATOM 0 HD2 LYS A 63 18.817 10.301 -0.923 1.00 1.00 H new ATOM 0 HD3 LYS A 63 20.090 10.258 0.279 1.00 1.00 H new ATOM 0 HE2 LYS A 63 21.339 8.579 -1.082 1.00 1.00 H new ATOM 0 HE3 LYS A 63 20.055 8.575 -2.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 21.844 10.063 -2.919 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 20.422 10.948 -2.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 21.667 10.951 -1.483 1.00 1.00 H new ATOM 521 N GLN A 64 14.792 7.468 0.017 1.00 1.00 N ATOM 522 CA GLN A 64 13.527 6.791 -0.217 1.00 1.00 C ATOM 523 C GLN A 64 12.382 7.797 -0.242 1.00 1.00 C ATOM 524 O GLN A 64 11.384 7.604 -0.932 1.00 1.00 O ATOM 525 CB GLN A 64 13.290 5.741 0.869 1.00 1.00 C ATOM 526 CG GLN A 64 13.592 6.343 2.238 1.00 1.00 C ATOM 527 CD GLN A 64 13.294 5.334 3.336 1.00 1.00 C ATOM 528 OE1 GLN A 64 13.429 5.644 4.520 1.00 1.00 O ATOM 529 NE2 GLN A 64 12.899 4.139 3.015 1.00 1.00 N ATOM 0 H GLN A 64 15.304 7.145 0.838 1.00 1.00 H new ATOM 0 HA GLN A 64 13.568 6.293 -1.186 1.00 1.00 H new ATOM 0 HB2 GLN A 64 12.258 5.393 0.833 1.00 1.00 H new ATOM 0 HB3 GLN A 64 13.925 4.873 0.694 1.00 1.00 H new ATOM 0 HG2 GLN A 64 14.638 6.646 2.287 1.00 1.00 H new ATOM 0 HG3 GLN A 64 12.993 7.241 2.388 1.00 1.00 H new ATOM 0 HE21 GLN A 64 12.788 3.885 2.033 1.00 1.00 H new ATOM 0 HE22 GLN A 64 12.700 3.455 3.745 1.00 1.00 H new ATOM 538 N ILE A 65 12.541 8.878 0.507 1.00 1.00 N ATOM 539 CA ILE A 65 11.525 9.924 0.561 1.00 1.00 C ATOM 540 C ILE A 65 11.414 10.630 -0.791 1.00 1.00 C ATOM 541 O ILE A 65 10.323 10.973 -1.238 1.00 1.00 O ATOM 542 CB ILE A 65 11.867 10.939 1.645 1.00 1.00 C ATOM 543 CG1 ILE A 65 11.752 10.273 3.028 1.00 1.00 C ATOM 544 CG2 ILE A 65 10.890 12.133 1.574 1.00 1.00 C ATOM 545 CD1 ILE A 65 12.524 11.090 4.076 1.00 1.00 C ATOM 0 H ILE A 65 13.362 9.056 1.086 1.00 1.00 H new ATOM 0 HA ILE A 65 10.567 9.460 0.798 1.00 1.00 H new ATOM 0 HB ILE A 65 12.886 11.295 1.491 1.00 1.00 H new ATOM 0 HG12 ILE A 65 10.704 10.196 3.316 1.00 1.00 H new ATOM 0 HG13 ILE A 65 12.146 9.258 2.985 1.00 1.00 H new ATOM 0 HG21 ILE A 65 11.140 12.855 2.352 1.00 1.00 H new ATOM 0 HG22 ILE A 65 10.969 12.610 0.597 1.00 1.00 H new ATOM 0 HG23 ILE A 65 9.870 11.778 1.723 1.00 1.00 H new ATOM 0 HD11 ILE A 65 12.435 10.609 5.050 1.00 1.00 H new ATOM 0 HD12 ILE A 65 13.575 11.145 3.793 1.00 1.00 H new ATOM 0 HD13 ILE A 65 12.110 12.097 4.130 1.00 1.00 H new ATOM 557 N VAL A 66 12.557 10.861 -1.427 1.00 1.00 N ATOM 558 CA VAL A 66 12.585 11.537 -2.710 1.00 1.00 C ATOM 559 C VAL A 66 11.778 10.752 -3.737 1.00 1.00 C ATOM 560 O VAL A 66 11.047 11.333 -4.540 1.00 1.00 O ATOM 561 CB VAL A 66 14.034 11.696 -3.186 1.00 1.00 C ATOM 562 CG1 VAL A 66 14.046 12.158 -4.643 1.00 1.00 C ATOM 563 CG2 VAL A 66 14.747 12.738 -2.314 1.00 1.00 C ATOM 0 H VAL A 66 13.474 10.589 -1.072 1.00 1.00 H new ATOM 0 HA VAL A 66 12.139 12.525 -2.598 1.00 1.00 H new ATOM 0 HB VAL A 66 14.549 10.739 -3.105 1.00 1.00 H new ATOM 0 HG11 VAL A 66 15.076 12.271 -4.980 1.00 1.00 H new ATOM 0 HG12 VAL A 66 13.540 11.418 -5.263 1.00 1.00 H new ATOM 0 HG13 VAL A 66 13.530 13.115 -4.726 1.00 1.00 H new ATOM 0 HG21 VAL A 66 15.777 12.852 -2.652 1.00 1.00 H new ATOM 0 HG22 VAL A 66 14.231 13.695 -2.395 1.00 1.00 H new ATOM 0 HG23 VAL A 66 14.740 12.409 -1.275 1.00 1.00 H new ATOM 573 N GLN A 67 11.922 9.435 -3.716 1.00 1.00 N ATOM 574 CA GLN A 67 11.208 8.585 -4.657 1.00 1.00 C ATOM 575 C GLN A 67 9.710 8.604 -4.365 1.00 1.00 C ATOM 576 O GLN A 67 8.902 8.205 -5.202 1.00 1.00 O ATOM 577 CB GLN A 67 11.727 7.150 -4.562 1.00 1.00 C ATOM 578 CG GLN A 67 13.255 7.166 -4.479 1.00 1.00 C ATOM 579 CD GLN A 67 13.836 7.935 -5.660 1.00 1.00 C ATOM 580 OE1 GLN A 67 13.373 7.781 -6.790 1.00 1.00 O ATOM 581 NE2 GLN A 67 14.831 8.757 -5.464 1.00 1.00 N ATOM 0 H GLN A 67 12.523 8.934 -3.062 1.00 1.00 H new ATOM 0 HA GLN A 67 11.377 8.967 -5.664 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.309 6.658 -3.684 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.405 6.577 -5.432 1.00 1.00 H new ATOM 0 HG2 GLN A 67 13.571 7.628 -3.544 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.637 6.145 -4.476 1.00 1.00 H new ATOM 0 HE21 GLN A 67 15.212 8.882 -4.526 1.00 1.00 H new ATOM 0 HE22 GLN A 67 15.227 9.274 -6.249 1.00 1.00 H new ATOM 590 N HIS A 68 9.350 9.067 -3.172 1.00 1.00 N ATOM 591 CA HIS A 68 7.944 9.132 -2.775 1.00 1.00 C ATOM 592 C HIS A 68 7.328 10.462 -3.194 1.00 1.00 C ATOM 593 O HIS A 68 6.192 10.767 -2.837 1.00 1.00 O ATOM 594 CB HIS A 68 7.818 8.963 -1.259 1.00 1.00 C ATOM 595 CG HIS A 68 8.201 7.560 -0.880 1.00 1.00 C ATOM 596 ND1 HIS A 68 8.012 7.065 0.400 1.00 1.00 N ATOM 597 CD2 HIS A 68 8.766 6.536 -1.599 1.00 1.00 C ATOM 598 CE1 HIS A 68 8.454 5.794 0.412 1.00 1.00 C ATOM 599 NE2 HIS A 68 8.924 5.422 -0.781 1.00 1.00 N ATOM 0 H HIS A 68 10.006 9.401 -2.466 1.00 1.00 H new ATOM 0 HA HIS A 68 7.409 8.324 -3.275 1.00 1.00 H new ATOM 0 HB2 HIS A 68 8.462 9.678 -0.747 1.00 1.00 H new ATOM 0 HB3 HIS A 68 6.796 9.171 -0.942 1.00 1.00 H new ATOM 0 HD1 HIS A 68 7.611 7.571 1.189 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.045 6.587 -2.641 1.00 1.00 H new ATOM 0 HE1 HIS A 68 8.431 5.153 1.281 1.00 1.00 H new ATOM 608 N GLY A 69 8.084 11.247 -3.954 1.00 1.00 N ATOM 609 CA GLY A 69 7.608 12.546 -4.422 1.00 1.00 C ATOM 610 C GLY A 69 7.959 13.648 -3.429 1.00 1.00 C ATOM 611 O GLY A 69 7.765 14.830 -3.709 1.00 1.00 O ATOM 0 H GLY A 69 9.027 11.008 -4.259 1.00 1.00 H new ATOM 0 HA2 GLY A 69 8.051 12.771 -5.392 1.00 1.00 H new ATOM 0 HA3 GLY A 69 6.528 12.511 -4.565 1.00 1.00 H new ATOM 615 N GLY A 70 8.483 13.256 -2.270 1.00 1.00 N ATOM 616 CA GLY A 70 8.862 14.224 -1.241 1.00 1.00 C ATOM 617 C GLY A 70 10.280 14.728 -1.476 1.00 1.00 C ATOM 618 O GLY A 70 11.251 14.071 -1.112 1.00 1.00 O ATOM 0 H GLY A 70 8.654 12.282 -2.020 1.00 1.00 H new ATOM 0 HA2 GLY A 70 8.166 15.063 -1.249 1.00 1.00 H new ATOM 0 HA3 GLY A 70 8.793 13.762 -0.256 1.00 1.00 H new ATOM 622 N GLN A 71 10.392 15.896 -2.100 1.00 1.00 N ATOM 623 CA GLN A 71 11.702 16.470 -2.385 1.00 1.00 C ATOM 624 C GLN A 71 12.280 17.141 -1.143 1.00 1.00 C ATOM 625 O GLN A 71 11.545 17.730 -0.349 1.00 1.00 O ATOM 626 CB GLN A 71 11.582 17.505 -3.506 1.00 1.00 C ATOM 627 CG GLN A 71 11.205 16.805 -4.812 1.00 1.00 C ATOM 628 CD GLN A 71 11.032 17.833 -5.925 1.00 1.00 C ATOM 629 OE1 GLN A 71 11.291 19.019 -5.721 1.00 1.00 O ATOM 630 NE2 GLN A 71 10.606 17.447 -7.096 1.00 1.00 N ATOM 0 H GLN A 71 9.601 16.458 -2.415 1.00 1.00 H new ATOM 0 HA GLN A 71 12.368 15.665 -2.694 1.00 1.00 H new ATOM 0 HB2 GLN A 71 10.827 18.248 -3.249 1.00 1.00 H new ATOM 0 HB3 GLN A 71 12.526 18.037 -3.626 1.00 1.00 H new ATOM 0 HG2 GLN A 71 11.978 16.087 -5.086 1.00 1.00 H new ATOM 0 HG3 GLN A 71 10.281 16.242 -4.679 1.00 1.00 H new ATOM 0 HE21 GLN A 71 10.392 16.464 -7.262 1.00 1.00 H new ATOM 0 HE22 GLN A 71 10.487 18.129 -7.845 1.00 1.00 H new ATOM 639 N LEU A 72 13.597 17.051 -0.975 1.00 1.00 N ATOM 640 CA LEU A 72 14.255 17.653 0.171 1.00 1.00 C ATOM 641 C LEU A 72 14.465 19.131 -0.055 1.00 1.00 C ATOM 642 O LEU A 72 14.858 19.554 -1.140 1.00 1.00 O ATOM 643 CB LEU A 72 15.599 16.954 0.403 1.00 1.00 C ATOM 644 CG LEU A 72 15.360 15.597 1.081 1.00 1.00 C ATOM 645 CD1 LEU A 72 15.013 15.787 2.576 1.00 1.00 C ATOM 646 CD2 LEU A 72 14.234 14.830 0.368 1.00 1.00 C ATOM 0 H LEU A 72 14.224 16.568 -1.618 1.00 1.00 H new ATOM 0 HA LEU A 72 13.625 17.532 1.052 1.00 1.00 H new ATOM 0 HB2 LEU A 72 16.116 16.812 -0.546 1.00 1.00 H new ATOM 0 HB3 LEU A 72 16.242 17.576 1.026 1.00 1.00 H new ATOM 0 HG LEU A 72 16.279 15.015 1.010 1.00 1.00 H new ATOM 0 HD11 LEU A 72 14.847 14.814 3.038 1.00 1.00 H new ATOM 0 HD12 LEU A 72 15.837 16.292 3.080 1.00 1.00 H new ATOM 0 HD13 LEU A 72 14.109 16.390 2.666 1.00 1.00 H new ATOM 0 HD21 LEU A 72 14.078 13.871 0.862 1.00 1.00 H new ATOM 0 HD22 LEU A 72 13.314 15.413 0.409 1.00 1.00 H new ATOM 0 HD23 LEU A 72 14.511 14.662 -0.673 1.00 1.00 H new ATOM 658 N CYS A 73 14.202 19.921 0.982 1.00 1.00 N ATOM 659 CA CYS A 73 14.368 21.367 0.894 1.00 1.00 C ATOM 660 C CYS A 73 15.112 21.895 2.120 1.00 1.00 C ATOM 661 O CYS A 73 14.499 22.241 3.128 1.00 1.00 O ATOM 662 CB CYS A 73 13.007 22.035 0.795 1.00 1.00 C ATOM 663 SG CYS A 73 12.033 21.208 -0.485 1.00 1.00 S ATOM 0 H CYS A 73 13.875 19.586 1.888 1.00 1.00 H new ATOM 0 HA CYS A 73 14.952 21.598 0.003 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.491 21.981 1.754 1.00 1.00 H new ATOM 0 HB3 CYS A 73 13.123 23.092 0.555 1.00 1.00 H new ATOM 0 HG CYS A 73 11.932 19.943 -0.204 1.00 1.00 H new ATOM 669 N PRO A 74 16.419 21.964 2.050 1.00 1.00 N ATOM 670 CA PRO A 74 17.264 22.467 3.173 1.00 1.00 C ATOM 671 C PRO A 74 16.821 23.846 3.653 1.00 1.00 C ATOM 672 O PRO A 74 15.839 24.402 3.159 1.00 1.00 O ATOM 673 CB PRO A 74 18.681 22.511 2.575 1.00 1.00 C ATOM 674 CG PRO A 74 18.659 21.537 1.441 1.00 1.00 C ATOM 675 CD PRO A 74 17.239 21.556 0.896 1.00 1.00 C ATOM 0 HA PRO A 74 17.195 21.831 4.056 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.931 23.514 2.228 1.00 1.00 H new ATOM 0 HB3 PRO A 74 19.430 22.235 3.317 1.00 1.00 H new ATOM 0 HG2 PRO A 74 19.376 21.820 0.670 1.00 1.00 H new ATOM 0 HG3 PRO A 74 18.933 20.538 1.780 1.00 1.00 H new ATOM 0 HD2 PRO A 74 17.139 22.257 0.068 1.00 1.00 H new ATOM 0 HD3 PRO A 74 16.942 20.576 0.522 1.00 1.00 H new ATOM 683 N ALA A 75 17.547 24.387 4.624 1.00 1.00 N ATOM 684 CA ALA A 75 17.217 25.697 5.167 1.00 1.00 C ATOM 685 C ALA A 75 17.187 26.743 4.058 1.00 1.00 C ATOM 686 O ALA A 75 16.300 27.595 4.020 1.00 1.00 O ATOM 687 CB ALA A 75 18.252 26.098 6.218 1.00 1.00 C ATOM 0 H ALA A 75 18.361 23.943 5.048 1.00 1.00 H new ATOM 0 HA ALA A 75 16.231 25.643 5.628 1.00 1.00 H new ATOM 0 HB1 ALA A 75 18.000 27.079 6.621 1.00 1.00 H new ATOM 0 HB2 ALA A 75 18.255 25.364 7.024 1.00 1.00 H new ATOM 0 HB3 ALA A 75 19.240 26.137 5.759 1.00 1.00 H new ATOM 693 N GLN A 76 18.154 26.667 3.151 1.00 1.00 N ATOM 694 CA GLN A 76 18.222 27.613 2.042 1.00 1.00 C ATOM 695 C GLN A 76 17.003 27.458 1.138 1.00 1.00 C ATOM 696 O GLN A 76 16.854 28.181 0.157 1.00 1.00 O ATOM 697 CB GLN A 76 19.497 27.373 1.222 1.00 1.00 C ATOM 698 CG GLN A 76 19.734 25.868 1.080 1.00 1.00 C ATOM 699 CD GLN A 76 20.761 25.604 -0.013 1.00 1.00 C ATOM 700 OE1 GLN A 76 20.838 26.352 -0.988 1.00 1.00 O ATOM 701 NE2 GLN A 76 21.562 24.579 0.090 1.00 1.00 N ATOM 0 H GLN A 76 18.896 25.967 3.160 1.00 1.00 H new ATOM 0 HA GLN A 76 18.239 28.623 2.451 1.00 1.00 H new ATOM 0 HB2 GLN A 76 19.401 27.832 0.238 1.00 1.00 H new ATOM 0 HB3 GLN A 76 20.351 27.842 1.711 1.00 1.00 H new ATOM 0 HG2 GLN A 76 20.084 25.456 2.026 1.00 1.00 H new ATOM 0 HG3 GLN A 76 18.797 25.365 0.840 1.00 1.00 H new ATOM 0 HE21 GLN A 76 21.497 23.960 0.898 1.00 1.00 H new ATOM 0 HE22 GLN A 76 22.253 24.397 -0.638 1.00 1.00 H new ATOM 710 N GLY A 77 16.135 26.507 1.475 1.00 1.00 N ATOM 711 CA GLY A 77 14.928 26.258 0.686 1.00 1.00 C ATOM 712 C GLY A 77 13.726 26.052 1.606 1.00 1.00 C ATOM 713 O GLY A 77 13.401 24.921 1.967 1.00 1.00 O ATOM 0 H GLY A 77 16.243 25.897 2.286 1.00 1.00 H new ATOM 0 HA2 GLY A 77 14.743 27.099 0.017 1.00 1.00 H new ATOM 0 HA3 GLY A 77 15.070 25.377 0.059 1.00 1.00 H new ATOM 717 N PRO A 78 13.071 27.115 1.998 1.00 1.00 N ATOM 718 CA PRO A 78 11.886 27.042 2.903 1.00 1.00 C ATOM 719 C PRO A 78 10.828 26.075 2.384 1.00 1.00 C ATOM 720 O PRO A 78 10.554 26.025 1.186 1.00 1.00 O ATOM 721 CB PRO A 78 11.354 28.488 2.924 1.00 1.00 C ATOM 722 CG PRO A 78 12.528 29.342 2.563 1.00 1.00 C ATOM 723 CD PRO A 78 13.392 28.502 1.627 1.00 1.00 C ATOM 0 HA PRO A 78 12.146 26.668 3.893 1.00 1.00 H new ATOM 0 HB2 PRO A 78 10.539 28.618 2.213 1.00 1.00 H new ATOM 0 HB3 PRO A 78 10.964 28.750 3.907 1.00 1.00 H new ATOM 0 HG2 PRO A 78 12.205 30.262 2.075 1.00 1.00 H new ATOM 0 HG3 PRO A 78 13.087 29.633 3.453 1.00 1.00 H new ATOM 0 HD2 PRO A 78 13.157 28.700 0.581 1.00 1.00 H new ATOM 0 HD3 PRO A 78 14.452 28.716 1.762 1.00 1.00 H new ATOM 731 N GLY A 79 10.239 25.308 3.295 1.00 1.00 N ATOM 732 CA GLY A 79 9.208 24.341 2.924 1.00 1.00 C ATOM 733 C GLY A 79 9.361 23.056 3.723 1.00 1.00 C ATOM 734 O GLY A 79 8.599 22.115 3.543 1.00 1.00 O ATOM 0 H GLY A 79 10.455 25.335 4.291 1.00 1.00 H new ATOM 0 HA2 GLY A 79 8.221 24.769 3.100 1.00 1.00 H new ATOM 0 HA3 GLY A 79 9.275 24.122 1.858 1.00 1.00 H new ATOM 738 N VAL A 80 10.350 23.024 4.613 1.00 1.00 N ATOM 739 CA VAL A 80 10.588 21.848 5.440 1.00 1.00 C ATOM 740 C VAL A 80 9.764 21.918 6.723 1.00 1.00 C ATOM 741 O VAL A 80 10.102 22.644 7.654 1.00 1.00 O ATOM 742 CB VAL A 80 12.084 21.740 5.778 1.00 1.00 C ATOM 743 CG1 VAL A 80 12.638 23.134 6.098 1.00 1.00 C ATOM 744 CG2 VAL A 80 12.285 20.809 6.988 1.00 1.00 C ATOM 0 H VAL A 80 10.996 23.796 4.778 1.00 1.00 H new ATOM 0 HA VAL A 80 10.283 20.963 4.882 1.00 1.00 H new ATOM 0 HB VAL A 80 12.616 21.326 4.922 1.00 1.00 H new ATOM 0 HG11 VAL A 80 13.699 23.058 6.338 1.00 1.00 H new ATOM 0 HG12 VAL A 80 12.507 23.785 5.233 1.00 1.00 H new ATOM 0 HG13 VAL A 80 12.102 23.551 6.951 1.00 1.00 H new ATOM 0 HG21 VAL A 80 13.348 20.738 7.220 1.00 1.00 H new ATOM 0 HG22 VAL A 80 11.751 21.211 7.849 1.00 1.00 H new ATOM 0 HG23 VAL A 80 11.899 19.817 6.752 1.00 1.00 H new ATOM 754 N THR A 81 8.688 21.152 6.769 1.00 1.00 N ATOM 755 CA THR A 81 7.835 21.138 7.949 1.00 1.00 C ATOM 756 C THR A 81 8.347 20.123 8.962 1.00 1.00 C ATOM 757 O THR A 81 8.318 20.364 10.165 1.00 1.00 O ATOM 758 CB THR A 81 6.401 20.781 7.553 1.00 1.00 C ATOM 759 OG1 THR A 81 5.750 20.161 8.654 1.00 1.00 O ATOM 760 CG2 THR A 81 6.419 19.812 6.366 1.00 1.00 C ATOM 0 H THR A 81 8.385 20.537 6.013 1.00 1.00 H new ATOM 0 HA THR A 81 7.852 22.130 8.399 1.00 1.00 H new ATOM 0 HB THR A 81 5.867 21.689 7.272 1.00 1.00 H new ATOM 0 HG1 THR A 81 4.831 19.932 8.404 1.00 1.00 H new ATOM 0 HG21 THR A 81 5.396 19.560 6.087 1.00 1.00 H new ATOM 0 HG22 THR A 81 6.921 20.282 5.520 1.00 1.00 H new ATOM 0 HG23 THR A 81 6.953 18.904 6.646 1.00 1.00 H new ATOM 768 N HIS A 82 8.808 18.979 8.473 1.00 1.00 N ATOM 769 CA HIS A 82 9.315 17.923 9.355 1.00 1.00 C ATOM 770 C HIS A 82 10.827 17.836 9.283 1.00 1.00 C ATOM 771 O HIS A 82 11.412 17.929 8.202 1.00 1.00 O ATOM 772 CB HIS A 82 8.717 16.576 8.944 1.00 1.00 C ATOM 773 CG HIS A 82 7.230 16.594 9.174 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.334 16.973 8.187 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.470 16.282 10.272 1.00 1.00 C ATOM 776 CE1 HIS A 82 5.097 16.881 8.708 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.123 16.463 9.976 1.00 1.00 N ATOM 0 H HIS A 82 8.844 18.755 7.479 1.00 1.00 H new ATOM 0 HA HIS A 82 9.025 18.165 10.377 1.00 1.00 H new ATOM 0 HB2 HIS A 82 8.931 16.377 7.894 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.175 15.772 9.520 1.00 1.00 H new ATOM 0 HD2 HIS A 82 6.858 15.947 11.222 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.193 17.117 8.166 1.00 1.00 H new ATOM 0 HE2 HIS A 82 4.327 16.309 10.594 1.00 1.00 H new ATOM 786 N ILE A 83 11.464 17.647 10.442 1.00 1.00 N ATOM 787 CA ILE A 83 12.920 17.531 10.487 1.00 1.00 C ATOM 788 C ILE A 83 13.320 16.347 11.358 1.00 1.00 C ATOM 789 O ILE A 83 13.203 16.396 12.579 1.00 1.00 O ATOM 790 CB ILE A 83 13.528 18.810 11.051 1.00 1.00 C ATOM 791 CG1 ILE A 83 13.168 19.990 10.144 1.00 1.00 C ATOM 792 CG2 ILE A 83 15.054 18.665 11.118 1.00 1.00 C ATOM 793 CD1 ILE A 83 13.492 21.300 10.862 1.00 1.00 C ATOM 0 H ILE A 83 11.001 17.572 11.348 1.00 1.00 H new ATOM 0 HA ILE A 83 13.292 17.374 9.475 1.00 1.00 H new ATOM 0 HB ILE A 83 13.135 18.988 12.052 1.00 1.00 H new ATOM 0 HG12 ILE A 83 13.725 19.927 9.209 1.00 1.00 H new ATOM 0 HG13 ILE A 83 12.109 19.956 9.887 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.489 19.579 11.521 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.312 17.825 11.763 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.447 18.487 10.117 1.00 1.00 H new ATOM 0 HD11 ILE A 83 13.236 22.141 10.218 1.00 1.00 H new ATOM 0 HD12 ILE A 83 12.915 21.361 11.785 1.00 1.00 H new ATOM 0 HD13 ILE A 83 14.556 21.333 11.096 1.00 1.00 H new ATOM 805 N VAL A 84 13.789 15.288 10.716 1.00 1.00 N ATOM 806 CA VAL A 84 14.213 14.089 11.431 1.00 1.00 C ATOM 807 C VAL A 84 15.686 14.171 11.780 1.00 1.00 C ATOM 808 O VAL A 84 16.517 14.526 10.948 1.00 1.00 O ATOM 809 CB VAL A 84 13.939 12.834 10.569 1.00 1.00 C ATOM 810 CG1 VAL A 84 13.943 13.213 9.095 1.00 1.00 C ATOM 811 CG2 VAL A 84 15.011 11.754 10.822 1.00 1.00 C ATOM 0 H VAL A 84 13.886 15.232 9.702 1.00 1.00 H new ATOM 0 HA VAL A 84 13.642 14.016 12.357 1.00 1.00 H new ATOM 0 HB VAL A 84 12.964 12.432 10.845 1.00 1.00 H new ATOM 0 HG11 VAL A 84 13.750 12.327 8.491 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.167 13.956 8.908 1.00 1.00 H new ATOM 0 HG13 VAL A 84 14.915 13.629 8.829 1.00 1.00 H new ATOM 0 HG21 VAL A 84 14.799 10.880 10.206 1.00 1.00 H new ATOM 0 HG22 VAL A 84 15.994 12.150 10.565 1.00 1.00 H new ATOM 0 HG23 VAL A 84 14.998 11.468 11.874 1.00 1.00 H new ATOM 821 N VAL A 85 15.998 13.812 13.018 1.00 1.00 N ATOM 822 CA VAL A 85 17.383 13.811 13.491 1.00 1.00 C ATOM 823 C VAL A 85 17.727 12.488 14.173 1.00 1.00 C ATOM 824 O VAL A 85 16.840 11.722 14.553 1.00 1.00 O ATOM 825 CB VAL A 85 17.597 14.971 14.458 1.00 1.00 C ATOM 826 CG1 VAL A 85 17.874 16.256 13.676 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.344 15.159 15.311 1.00 1.00 C ATOM 0 H VAL A 85 15.314 13.517 13.715 1.00 1.00 H new ATOM 0 HA VAL A 85 18.042 13.930 12.631 1.00 1.00 H new ATOM 0 HB VAL A 85 18.450 14.749 15.100 1.00 1.00 H new ATOM 0 HG11 VAL A 85 18.026 17.080 14.373 1.00 1.00 H new ATOM 0 HG12 VAL A 85 18.769 16.126 13.067 1.00 1.00 H new ATOM 0 HG13 VAL A 85 17.025 16.479 13.030 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.496 15.988 16.003 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.493 15.376 14.665 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.148 14.247 15.875 1.00 1.00 H new ATOM 837 N ASP A 86 19.030 12.227 14.324 1.00 1.00 N ATOM 838 CA ASP A 86 19.486 11.007 14.943 1.00 1.00 C ATOM 839 C ASP A 86 19.039 10.971 16.379 1.00 1.00 C ATOM 840 O ASP A 86 19.609 11.663 17.215 1.00 1.00 O ATOM 841 CB ASP A 86 21.011 10.937 14.909 1.00 1.00 C ATOM 842 CG ASP A 86 21.490 9.624 15.517 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.654 8.878 15.997 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.686 9.381 15.488 1.00 1.00 O ATOM 0 H ASP A 86 19.777 12.853 14.022 1.00 1.00 H new ATOM 0 HA ASP A 86 19.067 10.163 14.396 1.00 1.00 H new ATOM 0 HB2 ASP A 86 21.364 11.020 13.881 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.434 11.777 15.460 1.00 1.00 H new ATOM 849 N GLU A 87 18.006 10.180 16.644 1.00 1.00 N ATOM 850 CA GLU A 87 17.445 10.040 17.993 1.00 1.00 C ATOM 851 C GLU A 87 18.487 10.374 19.053 1.00 1.00 C ATOM 852 O GLU A 87 19.212 9.497 19.535 1.00 1.00 O ATOM 853 CB GLU A 87 16.949 8.602 18.218 1.00 1.00 C ATOM 854 CG GLU A 87 15.724 8.330 17.347 1.00 1.00 C ATOM 855 CD GLU A 87 15.358 6.851 17.397 1.00 1.00 C ATOM 856 OE1 GLU A 87 16.264 6.036 17.331 1.00 1.00 O ATOM 857 OE2 GLU A 87 14.180 6.555 17.499 1.00 1.00 O ATOM 0 H GLU A 87 17.532 9.618 15.937 1.00 1.00 H new ATOM 0 HA GLU A 87 16.611 10.736 18.079 1.00 1.00 H new ATOM 0 HB2 GLU A 87 17.741 7.893 17.977 1.00 1.00 H new ATOM 0 HB3 GLU A 87 16.698 8.455 19.269 1.00 1.00 H new ATOM 0 HG2 GLU A 87 14.883 8.932 17.692 1.00 1.00 H new ATOM 0 HG3 GLU A 87 15.928 8.627 16.318 1.00 1.00 H new ATOM 864 N GLY A 88 18.576 11.655 19.385 1.00 1.00 N ATOM 865 CA GLY A 88 19.558 12.112 20.358 1.00 1.00 C ATOM 866 C GLY A 88 19.869 13.591 20.166 1.00 1.00 C ATOM 867 O GLY A 88 20.286 14.273 21.103 1.00 1.00 O ATOM 0 H GLY A 88 17.985 12.391 18.998 1.00 1.00 H new ATOM 0 HA2 GLY A 88 19.181 11.944 21.367 1.00 1.00 H new ATOM 0 HA3 GLY A 88 20.473 11.528 20.258 1.00 1.00 H new ATOM 871 N MET A 89 19.675 14.086 18.949 1.00 1.00 N ATOM 872 CA MET A 89 19.950 15.484 18.663 1.00 1.00 C ATOM 873 C MET A 89 18.933 16.387 19.342 1.00 1.00 C ATOM 874 O MET A 89 17.764 16.030 19.477 1.00 1.00 O ATOM 875 CB MET A 89 19.909 15.707 17.144 1.00 1.00 C ATOM 876 CG MET A 89 21.001 16.688 16.708 1.00 1.00 C ATOM 877 SD MET A 89 21.038 16.794 14.903 1.00 1.00 S ATOM 878 CE MET A 89 21.512 15.076 14.594 1.00 1.00 C ATOM 0 H MET A 89 19.332 13.546 18.155 1.00 1.00 H new ATOM 0 HA MET A 89 20.939 15.733 19.049 1.00 1.00 H new ATOM 0 HB2 MET A 89 20.042 14.756 16.629 1.00 1.00 H new ATOM 0 HB3 MET A 89 18.931 16.092 16.855 1.00 1.00 H new ATOM 0 HG2 MET A 89 20.811 17.672 17.136 1.00 1.00 H new ATOM 0 HG3 MET A 89 21.970 16.359 17.083 1.00 1.00 H new ATOM 0 HE1 MET A 89 21.903 14.983 13.581 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.279 14.776 15.308 1.00 1.00 H new ATOM 0 HE3 MET A 89 20.640 14.432 14.707 1.00 1.00 H new ATOM 888 N ASP A 90 19.387 17.565 19.750 1.00 1.00 N ATOM 889 CA ASP A 90 18.509 18.528 20.403 1.00 1.00 C ATOM 890 C ASP A 90 17.866 19.445 19.373 1.00 1.00 C ATOM 891 O ASP A 90 18.436 19.701 18.314 1.00 1.00 O ATOM 892 CB ASP A 90 19.303 19.359 21.409 1.00 1.00 C ATOM 893 CG ASP A 90 19.768 18.475 22.562 1.00 1.00 C ATOM 894 OD1 ASP A 90 19.188 17.417 22.745 1.00 1.00 O ATOM 895 OD2 ASP A 90 20.701 18.867 23.245 1.00 1.00 O ATOM 0 H ASP A 90 20.352 17.876 19.641 1.00 1.00 H new ATOM 0 HA ASP A 90 17.724 17.982 20.926 1.00 1.00 H new ATOM 0 HB2 ASP A 90 20.163 19.814 20.919 1.00 1.00 H new ATOM 0 HB3 ASP A 90 18.685 20.173 21.789 1.00 1.00 H new ATOM 900 N TYR A 91 16.678 19.937 19.694 1.00 1.00 N ATOM 901 CA TYR A 91 15.974 20.829 18.790 1.00 1.00 C ATOM 902 C TYR A 91 16.812 22.077 18.526 1.00 1.00 C ATOM 903 O TYR A 91 16.936 22.515 17.391 1.00 1.00 O ATOM 904 CB TYR A 91 14.604 21.224 19.401 1.00 1.00 C ATOM 905 CG TYR A 91 14.510 22.733 19.544 1.00 1.00 C ATOM 906 CD1 TYR A 91 14.022 23.516 18.492 1.00 1.00 C ATOM 907 CD2 TYR A 91 14.940 23.341 20.723 1.00 1.00 C ATOM 908 CE1 TYR A 91 13.953 24.902 18.620 1.00 1.00 C ATOM 909 CE2 TYR A 91 14.873 24.731 20.858 1.00 1.00 C ATOM 910 CZ TYR A 91 14.379 25.515 19.804 1.00 1.00 C ATOM 911 OH TYR A 91 14.315 26.882 19.932 1.00 1.00 O ATOM 0 H TYR A 91 16.187 19.735 20.565 1.00 1.00 H new ATOM 0 HA TYR A 91 15.805 20.315 17.844 1.00 1.00 H new ATOM 0 HB2 TYR A 91 13.796 20.860 18.766 1.00 1.00 H new ATOM 0 HB3 TYR A 91 14.482 20.751 20.375 1.00 1.00 H new ATOM 0 HD1 TYR A 91 13.697 23.044 17.576 1.00 1.00 H new ATOM 0 HD2 TYR A 91 15.325 22.738 21.532 1.00 1.00 H new ATOM 0 HE1 TYR A 91 13.572 25.502 17.807 1.00 1.00 H new ATOM 0 HE2 TYR A 91 15.201 25.201 21.773 1.00 1.00 H new ATOM 0 HH TYR A 91 14.648 27.144 20.816 1.00 1.00 H new ATOM 921 N GLU A 92 17.346 22.663 19.589 1.00 1.00 N ATOM 922 CA GLU A 92 18.130 23.886 19.457 1.00 1.00 C ATOM 923 C GLU A 92 19.310 23.672 18.522 1.00 1.00 C ATOM 924 O GLU A 92 19.584 24.497 17.648 1.00 1.00 O ATOM 925 CB GLU A 92 18.634 24.324 20.833 1.00 1.00 C ATOM 926 CG GLU A 92 19.670 23.318 21.345 1.00 1.00 C ATOM 927 CD GLU A 92 19.905 23.518 22.834 1.00 1.00 C ATOM 928 OE1 GLU A 92 19.034 23.152 23.605 1.00 1.00 O ATOM 929 OE2 GLU A 92 20.955 24.030 23.183 1.00 1.00 O ATOM 0 H GLU A 92 17.253 22.317 20.544 1.00 1.00 H new ATOM 0 HA GLU A 92 17.493 24.663 19.036 1.00 1.00 H new ATOM 0 HB2 GLU A 92 19.078 25.318 20.770 1.00 1.00 H new ATOM 0 HB3 GLU A 92 17.801 24.391 21.532 1.00 1.00 H new ATOM 0 HG2 GLU A 92 19.324 22.301 21.157 1.00 1.00 H new ATOM 0 HG3 GLU A 92 20.607 23.441 20.802 1.00 1.00 H new ATOM 936 N ARG A 93 20.004 22.560 18.712 1.00 1.00 N ATOM 937 CA ARG A 93 21.152 22.242 17.883 1.00 1.00 C ATOM 938 C ARG A 93 20.721 21.840 16.480 1.00 1.00 C ATOM 939 O ARG A 93 21.509 21.917 15.538 1.00 1.00 O ATOM 940 CB ARG A 93 21.958 21.107 18.522 1.00 1.00 C ATOM 941 CG ARG A 93 23.184 20.772 17.635 1.00 1.00 C ATOM 942 CD ARG A 93 22.909 19.516 16.821 1.00 1.00 C ATOM 943 NE ARG A 93 23.045 18.343 17.673 1.00 1.00 N ATOM 944 CZ ARG A 93 24.232 17.792 17.898 1.00 1.00 C ATOM 945 NH1 ARG A 93 25.300 18.312 17.361 1.00 1.00 N ATOM 946 NH2 ARG A 93 24.331 16.734 18.656 1.00 1.00 N ATOM 0 H ARG A 93 19.792 21.867 19.430 1.00 1.00 H new ATOM 0 HA ARG A 93 21.774 23.134 17.808 1.00 1.00 H new ATOM 0 HB2 ARG A 93 22.288 21.399 19.519 1.00 1.00 H new ATOM 0 HB3 ARG A 93 21.330 20.224 18.640 1.00 1.00 H new ATOM 0 HG2 ARG A 93 23.400 21.607 16.969 1.00 1.00 H new ATOM 0 HG3 ARG A 93 24.066 20.625 18.259 1.00 1.00 H new ATOM 0 HD2 ARG A 93 21.905 19.557 16.398 1.00 1.00 H new ATOM 0 HD3 ARG A 93 23.605 19.453 15.984 1.00 1.00 H new ATOM 0 HE ARG A 93 22.214 17.938 18.104 1.00 1.00 H new ATOM 0 HH11 ARG A 93 25.222 19.140 16.770 1.00 1.00 H new ATOM 0 HH12 ARG A 93 26.213 17.891 17.532 1.00 1.00 H new ATOM 0 HH21 ARG A 93 23.495 16.328 19.077 1.00 1.00 H new ATOM 0 HH22 ARG A 93 25.244 16.313 18.827 1.00 1.00 H new ATOM 960 N ALA A 94 19.470 21.407 16.344 1.00 1.00 N ATOM 961 CA ALA A 94 18.959 20.994 15.058 1.00 1.00 C ATOM 962 C ALA A 94 18.942 22.157 14.087 1.00 1.00 C ATOM 963 O ALA A 94 19.102 21.962 12.890 1.00 1.00 O ATOM 964 CB ALA A 94 17.556 20.425 15.216 1.00 1.00 C ATOM 0 H ALA A 94 18.801 21.336 17.111 1.00 1.00 H new ATOM 0 HA ALA A 94 19.616 20.222 14.657 1.00 1.00 H new ATOM 0 HB1 ALA A 94 17.177 20.116 14.242 1.00 1.00 H new ATOM 0 HB2 ALA A 94 17.586 19.564 15.884 1.00 1.00 H new ATOM 0 HB3 ALA A 94 16.899 21.187 15.635 1.00 1.00 H new ATOM 970 N LEU A 95 18.757 23.364 14.609 1.00 1.00 N ATOM 971 CA LEU A 95 18.740 24.560 13.772 1.00 1.00 C ATOM 972 C LEU A 95 20.136 24.894 13.272 1.00 1.00 C ATOM 973 O LEU A 95 20.322 25.207 12.100 1.00 1.00 O ATOM 974 CB LEU A 95 18.172 25.740 14.577 1.00 1.00 C ATOM 975 CG LEU A 95 16.638 25.704 14.553 1.00 1.00 C ATOM 976 CD1 LEU A 95 16.143 24.295 14.889 1.00 1.00 C ATOM 977 CD2 LEU A 95 16.095 26.688 15.586 1.00 1.00 C ATOM 0 H LEU A 95 18.617 23.541 15.604 1.00 1.00 H new ATOM 0 HA LEU A 95 18.107 24.370 12.905 1.00 1.00 H new ATOM 0 HB2 LEU A 95 18.529 25.694 15.606 1.00 1.00 H new ATOM 0 HB3 LEU A 95 18.528 26.681 14.158 1.00 1.00 H new ATOM 0 HG LEU A 95 16.288 25.979 13.558 1.00 1.00 H new ATOM 0 HD11 LEU A 95 15.053 24.278 14.870 1.00 1.00 H new ATOM 0 HD12 LEU A 95 16.530 23.589 14.155 1.00 1.00 H new ATOM 0 HD13 LEU A 95 16.493 24.014 15.882 1.00 1.00 H new ATOM 0 HD21 LEU A 95 15.005 26.666 15.572 1.00 1.00 H new ATOM 0 HD22 LEU A 95 16.451 26.408 16.577 1.00 1.00 H new ATOM 0 HD23 LEU A 95 16.440 27.694 15.347 1.00 1.00 H new ATOM 989 N ARG A 96 21.117 24.831 14.167 1.00 1.00 N ATOM 990 CA ARG A 96 22.489 25.139 13.790 1.00 1.00 C ATOM 991 C ARG A 96 22.936 24.185 12.693 1.00 1.00 C ATOM 992 O ARG A 96 23.462 24.607 11.671 1.00 1.00 O ATOM 993 CB ARG A 96 23.402 25.000 15.010 1.00 1.00 C ATOM 994 CG ARG A 96 22.857 25.872 16.149 1.00 1.00 C ATOM 995 CD ARG A 96 22.817 27.345 15.715 1.00 1.00 C ATOM 996 NE ARG A 96 21.554 27.631 15.043 1.00 1.00 N ATOM 997 CZ ARG A 96 21.425 28.686 14.247 1.00 1.00 C ATOM 998 NH1 ARG A 96 22.441 29.483 14.055 1.00 1.00 N ATOM 999 NH2 ARG A 96 20.288 28.924 13.654 1.00 1.00 N ATOM 0 H ARG A 96 20.989 24.573 15.145 1.00 1.00 H new ATOM 0 HA ARG A 96 22.546 26.163 13.421 1.00 1.00 H new ATOM 0 HB2 ARG A 96 23.452 23.958 15.325 1.00 1.00 H new ATOM 0 HB3 ARG A 96 24.417 25.305 14.756 1.00 1.00 H new ATOM 0 HG2 ARG A 96 21.856 25.539 16.425 1.00 1.00 H new ATOM 0 HG3 ARG A 96 23.485 25.762 17.033 1.00 1.00 H new ATOM 0 HD2 ARG A 96 22.931 27.992 16.584 1.00 1.00 H new ATOM 0 HD3 ARG A 96 23.651 27.559 15.047 1.00 1.00 H new ATOM 0 HE ARG A 96 20.757 27.011 15.187 1.00 1.00 H new ATOM 0 HH11 ARG A 96 23.331 29.295 14.516 1.00 1.00 H new ATOM 0 HH12 ARG A 96 22.345 30.294 13.444 1.00 1.00 H new ATOM 0 HH21 ARG A 96 19.495 28.299 13.801 1.00 1.00 H new ATOM 0 HH22 ARG A 96 20.191 29.735 13.043 1.00 1.00 H new ATOM 1013 N LEU A 97 22.696 22.897 12.901 1.00 1.00 N ATOM 1014 CA LEU A 97 23.056 21.904 11.903 1.00 1.00 C ATOM 1015 C LEU A 97 22.206 22.067 10.659 1.00 1.00 C ATOM 1016 O LEU A 97 22.716 22.028 9.540 1.00 1.00 O ATOM 1017 CB LEU A 97 22.865 20.496 12.492 1.00 1.00 C ATOM 1018 CG LEU A 97 24.168 20.039 13.181 1.00 1.00 C ATOM 1019 CD1 LEU A 97 25.291 19.826 12.133 1.00 1.00 C ATOM 1020 CD2 LEU A 97 24.600 21.112 14.203 1.00 1.00 C ATOM 0 H LEU A 97 22.259 22.520 13.742 1.00 1.00 H new ATOM 0 HA LEU A 97 24.101 22.043 11.624 1.00 1.00 H new ATOM 0 HB2 LEU A 97 22.045 20.500 13.210 1.00 1.00 H new ATOM 0 HB3 LEU A 97 22.594 19.795 11.703 1.00 1.00 H new ATOM 0 HG LEU A 97 23.991 19.092 13.691 1.00 1.00 H new ATOM 0 HD11 LEU A 97 26.202 19.504 12.637 1.00 1.00 H new ATOM 0 HD12 LEU A 97 24.982 19.063 11.419 1.00 1.00 H new ATOM 0 HD13 LEU A 97 25.479 20.761 11.606 1.00 1.00 H new ATOM 0 HD21 LEU A 97 25.520 20.797 14.695 1.00 1.00 H new ATOM 0 HD22 LEU A 97 24.769 22.058 13.688 1.00 1.00 H new ATOM 0 HD23 LEU A 97 23.816 21.240 14.949 1.00 1.00 H new ATOM 1032 N LEU A 98 20.914 22.232 10.863 1.00 1.00 N ATOM 1033 CA LEU A 98 19.998 22.386 9.749 1.00 1.00 C ATOM 1034 C LEU A 98 20.172 23.755 9.121 1.00 1.00 C ATOM 1035 O LEU A 98 19.726 23.985 8.002 1.00 1.00 O ATOM 1036 CB LEU A 98 18.553 22.233 10.231 1.00 1.00 C ATOM 1037 CG LEU A 98 17.572 22.475 9.077 1.00 1.00 C ATOM 1038 CD1 LEU A 98 17.866 21.494 7.929 1.00 1.00 C ATOM 1039 CD2 LEU A 98 16.140 22.288 9.584 1.00 1.00 C ATOM 0 H LEU A 98 20.476 22.263 11.784 1.00 1.00 H new ATOM 0 HA LEU A 98 20.216 21.616 9.010 1.00 1.00 H new ATOM 0 HB2 LEU A 98 18.404 21.233 10.639 1.00 1.00 H new ATOM 0 HB3 LEU A 98 18.356 22.939 11.037 1.00 1.00 H new ATOM 0 HG LEU A 98 17.688 23.492 8.703 1.00 1.00 H new ATOM 0 HD11 LEU A 98 17.166 21.670 7.112 1.00 1.00 H new ATOM 0 HD12 LEU A 98 18.885 21.645 7.573 1.00 1.00 H new ATOM 0 HD13 LEU A 98 17.755 20.471 8.287 1.00 1.00 H new ATOM 0 HD21 LEU A 98 15.439 22.459 8.767 1.00 1.00 H new ATOM 0 HD22 LEU A 98 16.017 21.273 9.961 1.00 1.00 H new ATOM 0 HD23 LEU A 98 15.942 22.999 10.386 1.00 1.00 H new ATOM 1051 N ARG A 99 20.827 24.658 9.845 1.00 1.00 N ATOM 1052 CA ARG A 99 21.050 26.007 9.351 1.00 1.00 C ATOM 1053 C ARG A 99 19.736 26.749 9.254 1.00 1.00 C ATOM 1054 O ARG A 99 19.592 27.667 8.440 1.00 1.00 O ATOM 1055 CB ARG A 99 21.729 25.968 7.976 1.00 1.00 C ATOM 1056 CG ARG A 99 22.943 25.032 8.018 1.00 1.00 C ATOM 1057 CD ARG A 99 24.101 25.720 8.738 1.00 1.00 C ATOM 1058 NE ARG A 99 25.292 24.891 8.671 1.00 1.00 N ATOM 1059 CZ ARG A 99 25.991 24.790 7.549 1.00 1.00 C ATOM 1060 NH1 ARG A 99 25.604 25.433 6.481 1.00 1.00 N ATOM 1061 NH2 ARG A 99 27.060 24.047 7.514 1.00 1.00 N ATOM 0 H ARG A 99 21.210 24.478 10.773 1.00 1.00 H new ATOM 0 HA ARG A 99 21.703 26.528 10.051 1.00 1.00 H new ATOM 0 HB2 ARG A 99 21.021 25.626 7.221 1.00 1.00 H new ATOM 0 HB3 ARG A 99 22.042 26.971 7.687 1.00 1.00 H new ATOM 0 HG2 ARG A 99 22.682 24.106 8.531 1.00 1.00 H new ATOM 0 HG3 ARG A 99 23.241 24.762 7.005 1.00 1.00 H new ATOM 0 HD2 ARG A 99 24.298 26.691 8.283 1.00 1.00 H new ATOM 0 HD3 ARG A 99 23.835 25.904 9.779 1.00 1.00 H new ATOM 0 HE ARG A 99 25.595 24.379 9.500 1.00 1.00 H new ATOM 0 HH11 ARG A 99 24.765 26.012 6.510 1.00 1.00 H new ATOM 0 HH12 ARG A 99 26.141 25.356 5.617 1.00 1.00 H new ATOM 0 HH21 ARG A 99 27.359 23.543 8.349 1.00 1.00 H new ATOM 0 HH22 ARG A 99 27.599 23.969 6.651 1.00 1.00 H new ATOM 1075 N LEU A 100 18.773 26.352 10.092 1.00 1.00 N ATOM 1076 CA LEU A 100 17.473 26.996 10.084 1.00 1.00 C ATOM 1077 C LEU A 100 17.377 28.051 11.194 1.00 1.00 C ATOM 1078 O LEU A 100 17.471 27.720 12.371 1.00 1.00 O ATOM 1079 CB LEU A 100 16.353 25.965 10.262 1.00 1.00 C ATOM 1080 CG LEU A 100 15.089 26.428 9.508 1.00 1.00 C ATOM 1081 CD1 LEU A 100 15.230 26.148 8.001 1.00 1.00 C ATOM 1082 CD2 LEU A 100 13.875 25.681 10.053 1.00 1.00 C ATOM 0 H LEU A 100 18.874 25.598 10.772 1.00 1.00 H new ATOM 0 HA LEU A 100 17.356 27.487 9.118 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.677 24.995 9.885 1.00 1.00 H new ATOM 0 HB3 LEU A 100 16.129 25.837 11.321 1.00 1.00 H new ATOM 0 HG LEU A 100 14.962 27.501 9.655 1.00 1.00 H new ATOM 0 HD11 LEU A 100 14.330 26.480 7.483 1.00 1.00 H new ATOM 0 HD12 LEU A 100 16.093 26.687 7.610 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.367 25.079 7.841 1.00 1.00 H new ATOM 0 HD21 LEU A 100 12.980 26.006 9.523 1.00 1.00 H new ATOM 0 HD22 LEU A 100 14.013 24.609 9.910 1.00 1.00 H new ATOM 0 HD23 LEU A 100 13.764 25.894 11.116 1.00 1.00 H new ATOM 1094 N PRO A 101 17.206 29.305 10.853 1.00 1.00 N ATOM 1095 CA PRO A 101 17.118 30.401 11.865 1.00 1.00 C ATOM 1096 C PRO A 101 15.841 30.329 12.697 1.00 1.00 C ATOM 1097 O PRO A 101 15.787 30.852 13.810 1.00 1.00 O ATOM 1098 CB PRO A 101 17.163 31.680 11.011 1.00 1.00 C ATOM 1099 CG PRO A 101 16.665 31.272 9.662 1.00 1.00 C ATOM 1100 CD PRO A 101 17.057 29.819 9.481 1.00 1.00 C ATOM 0 HA PRO A 101 17.920 30.347 12.601 1.00 1.00 H new ATOM 0 HB2 PRO A 101 16.537 32.462 11.441 1.00 1.00 H new ATOM 0 HB3 PRO A 101 18.176 32.078 10.952 1.00 1.00 H new ATOM 0 HG2 PRO A 101 15.584 31.394 9.594 1.00 1.00 H new ATOM 0 HG3 PRO A 101 17.105 31.893 8.882 1.00 1.00 H new ATOM 0 HD2 PRO A 101 16.295 29.268 8.931 1.00 1.00 H new ATOM 0 HD3 PRO A 101 17.986 29.725 8.919 1.00 1.00 H new ATOM 1108 N GLN A 102 14.817 29.683 12.150 1.00 1.00 N ATOM 1109 CA GLN A 102 13.545 29.563 12.851 1.00 1.00 C ATOM 1110 C GLN A 102 12.590 28.670 12.081 1.00 1.00 C ATOM 1111 O GLN A 102 12.452 28.793 10.857 1.00 1.00 O ATOM 1112 CB GLN A 102 12.915 30.945 13.030 1.00 1.00 C ATOM 1113 CG GLN A 102 12.698 31.591 11.659 1.00 1.00 C ATOM 1114 CD GLN A 102 12.266 33.043 11.831 1.00 1.00 C ATOM 1115 OE1 GLN A 102 12.833 33.767 12.649 1.00 1.00 O ATOM 1116 NE2 GLN A 102 11.287 33.513 11.107 1.00 1.00 N ATOM 0 H GLN A 102 14.842 29.238 11.232 1.00 1.00 H new ATOM 0 HA GLN A 102 13.734 29.118 13.828 1.00 1.00 H new ATOM 0 HB2 GLN A 102 11.965 30.857 13.557 1.00 1.00 H new ATOM 0 HB3 GLN A 102 13.562 31.574 13.642 1.00 1.00 H new ATOM 0 HG2 GLN A 102 13.617 31.543 11.075 1.00 1.00 H new ATOM 0 HG3 GLN A 102 11.939 31.040 11.104 1.00 1.00 H new ATOM 0 HE21 GLN A 102 10.819 32.911 10.430 1.00 1.00 H new ATOM 0 HE22 GLN A 102 10.990 34.482 11.218 1.00 1.00 H new ATOM 1125 N LEU A 103 11.947 27.752 12.796 1.00 1.00 N ATOM 1126 CA LEU A 103 11.031 26.833 12.156 1.00 1.00 C ATOM 1127 C LEU A 103 9.733 27.533 11.768 1.00 1.00 C ATOM 1128 O LEU A 103 9.165 28.274 12.570 1.00 1.00 O ATOM 1129 CB LEU A 103 10.696 25.675 13.085 1.00 1.00 C ATOM 1130 CG LEU A 103 12.011 25.029 13.606 1.00 1.00 C ATOM 1131 CD1 LEU A 103 11.948 24.887 15.126 1.00 1.00 C ATOM 1132 CD2 LEU A 103 12.212 23.654 12.965 1.00 1.00 C ATOM 0 H LEU A 103 12.045 27.630 13.804 1.00 1.00 H new ATOM 0 HA LEU A 103 11.524 26.458 11.259 1.00 1.00 H new ATOM 0 HB2 LEU A 103 10.096 26.029 13.923 1.00 1.00 H new ATOM 0 HB3 LEU A 103 10.098 24.932 12.556 1.00 1.00 H new ATOM 0 HG LEU A 103 12.851 25.670 13.338 1.00 1.00 H new ATOM 0 HD11 LEU A 103 12.871 24.434 15.488 1.00 1.00 H new ATOM 0 HD12 LEU A 103 11.825 25.871 15.579 1.00 1.00 H new ATOM 0 HD13 LEU A 103 11.103 24.255 15.398 1.00 1.00 H new ATOM 0 HD21 LEU A 103 13.136 23.211 13.337 1.00 1.00 H new ATOM 0 HD22 LEU A 103 11.372 23.008 13.219 1.00 1.00 H new ATOM 0 HD23 LEU A 103 12.272 23.763 11.882 1.00 1.00 H new ATOM 1144 N PRO A 104 9.236 27.295 10.574 1.00 1.00 N ATOM 1145 CA PRO A 104 7.954 27.894 10.102 1.00 1.00 C ATOM 1146 C PRO A 104 6.849 27.817 11.175 1.00 1.00 C ATOM 1147 O PRO A 104 7.091 27.401 12.310 1.00 1.00 O ATOM 1148 CB PRO A 104 7.599 27.046 8.870 1.00 1.00 C ATOM 1149 CG PRO A 104 8.891 26.511 8.351 1.00 1.00 C ATOM 1150 CD PRO A 104 9.858 26.467 9.527 1.00 1.00 C ATOM 0 HA PRO A 104 8.047 28.957 9.879 1.00 1.00 H new ATOM 0 HB2 PRO A 104 6.921 26.236 9.137 1.00 1.00 H new ATOM 0 HB3 PRO A 104 7.095 27.648 8.114 1.00 1.00 H new ATOM 0 HG2 PRO A 104 8.754 25.516 7.927 1.00 1.00 H new ATOM 0 HG3 PRO A 104 9.280 27.146 7.555 1.00 1.00 H new ATOM 0 HD2 PRO A 104 10.010 25.445 9.873 1.00 1.00 H new ATOM 0 HD3 PRO A 104 10.836 26.857 9.246 1.00 1.00 H new ATOM 1158 N PRO A 105 5.649 28.214 10.841 1.00 1.00 N ATOM 1159 CA PRO A 105 4.508 28.204 11.795 1.00 1.00 C ATOM 1160 C PRO A 105 4.315 26.861 12.479 1.00 1.00 C ATOM 1161 O PRO A 105 4.538 26.727 13.685 1.00 1.00 O ATOM 1162 CB PRO A 105 3.295 28.571 10.915 1.00 1.00 C ATOM 1163 CG PRO A 105 3.869 29.304 9.748 1.00 1.00 C ATOM 1164 CD PRO A 105 5.236 28.694 9.513 1.00 1.00 C ATOM 0 HA PRO A 105 4.666 28.897 12.621 1.00 1.00 H new ATOM 0 HB2 PRO A 105 2.756 27.679 10.594 1.00 1.00 H new ATOM 0 HB3 PRO A 105 2.586 29.193 11.461 1.00 1.00 H new ATOM 0 HG2 PRO A 105 3.235 29.196 8.868 1.00 1.00 H new ATOM 0 HG3 PRO A 105 3.947 30.371 9.956 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.190 27.879 8.791 1.00 1.00 H new ATOM 0 HD3 PRO A 105 5.938 29.429 9.119 1.00 1.00 H new ATOM 1172 N GLY A 106 3.898 25.870 11.704 1.00 1.00 N ATOM 1173 CA GLY A 106 3.669 24.542 12.241 1.00 1.00 C ATOM 1174 C GLY A 106 4.958 23.776 12.328 1.00 1.00 C ATOM 1175 O GLY A 106 5.242 23.212 13.375 1.00 1.00 O ATOM 0 H GLY A 106 3.713 25.962 10.705 1.00 1.00 H new ATOM 0 HA2 GLY A 106 3.217 24.617 13.230 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.963 24.005 11.608 1.00 1.00 H new ATOM 1179 N ALA A 107 5.715 23.750 11.215 1.00 1.00 N ATOM 1180 CA ALA A 107 6.997 23.027 11.139 1.00 1.00 C ATOM 1181 C ALA A 107 7.465 22.579 12.515 1.00 1.00 C ATOM 1182 O ALA A 107 7.595 23.395 13.419 1.00 1.00 O ATOM 1183 CB ALA A 107 8.054 23.924 10.529 1.00 1.00 C ATOM 0 H ALA A 107 5.457 24.226 10.350 1.00 1.00 H new ATOM 0 HA ALA A 107 6.845 22.144 10.519 1.00 1.00 H new ATOM 0 HB1 ALA A 107 9.000 23.386 10.474 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.746 24.219 9.526 1.00 1.00 H new ATOM 0 HB3 ALA A 107 8.177 24.813 11.147 1.00 1.00 H new ATOM 1189 N GLN A 108 7.701 21.285 12.677 1.00 1.00 N ATOM 1190 CA GLN A 108 8.124 20.752 13.971 1.00 1.00 C ATOM 1191 C GLN A 108 9.335 19.863 13.794 1.00 1.00 C ATOM 1192 O GLN A 108 9.545 19.298 12.725 1.00 1.00 O ATOM 1193 CB GLN A 108 6.988 19.926 14.589 1.00 1.00 C ATOM 1194 CG GLN A 108 5.672 20.689 14.467 1.00 1.00 C ATOM 1195 CD GLN A 108 4.532 19.881 15.086 1.00 1.00 C ATOM 1196 OE1 GLN A 108 3.555 19.561 14.408 1.00 1.00 O ATOM 1197 NE2 GLN A 108 4.601 19.532 16.341 1.00 1.00 N ATOM 0 H GLN A 108 7.609 20.588 11.938 1.00 1.00 H new ATOM 0 HA GLN A 108 8.375 21.586 14.627 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.909 18.963 14.084 1.00 1.00 H new ATOM 0 HB3 GLN A 108 7.204 19.720 15.637 1.00 1.00 H new ATOM 0 HG2 GLN A 108 5.756 21.654 14.966 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.456 20.890 13.418 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.411 19.798 16.901 1.00 1.00 H new ATOM 0 HE22 GLN A 108 3.845 18.993 16.763 1.00 1.00 H new ATOM 1206 N LEU A 109 10.130 19.741 14.847 1.00 1.00 N ATOM 1207 CA LEU A 109 11.321 18.909 14.793 1.00 1.00 C ATOM 1208 C LEU A 109 11.045 17.537 15.373 1.00 1.00 C ATOM 1209 O LEU A 109 10.855 17.398 16.578 1.00 1.00 O ATOM 1210 CB LEU A 109 12.455 19.590 15.584 1.00 1.00 C ATOM 1211 CG LEU A 109 13.419 20.347 14.638 1.00 1.00 C ATOM 1212 CD1 LEU A 109 13.957 21.590 15.320 1.00 1.00 C ATOM 1213 CD2 LEU A 109 14.582 19.419 14.279 1.00 1.00 C ATOM 0 H LEU A 109 9.973 20.204 15.742 1.00 1.00 H new ATOM 0 HA LEU A 109 11.618 18.788 13.751 1.00 1.00 H new ATOM 0 HB2 LEU A 109 12.031 20.286 16.308 1.00 1.00 H new ATOM 0 HB3 LEU A 109 13.009 18.841 16.149 1.00 1.00 H new ATOM 0 HG LEU A 109 12.883 20.647 13.738 1.00 1.00 H new ATOM 0 HD11 LEU A 109 14.633 22.112 14.643 1.00 1.00 H new ATOM 0 HD12 LEU A 109 13.129 22.247 15.584 1.00 1.00 H new ATOM 0 HD13 LEU A 109 14.496 21.305 16.223 1.00 1.00 H new ATOM 0 HD21 LEU A 109 15.270 19.939 13.612 1.00 1.00 H new ATOM 0 HD22 LEU A 109 15.108 19.127 15.188 1.00 1.00 H new ATOM 0 HD23 LEU A 109 14.197 18.529 13.781 1.00 1.00 H new ATOM 1225 N VAL A 110 11.029 16.533 14.509 1.00 1.00 N ATOM 1226 CA VAL A 110 10.767 15.169 14.931 1.00 1.00 C ATOM 1227 C VAL A 110 12.047 14.366 14.880 1.00 1.00 C ATOM 1228 O VAL A 110 13.059 14.825 14.364 1.00 1.00 O ATOM 1229 CB VAL A 110 9.728 14.534 14.001 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.480 15.424 13.926 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.328 14.356 12.587 1.00 1.00 C ATOM 0 H VAL A 110 11.195 16.640 13.508 1.00 1.00 H new ATOM 0 HA VAL A 110 10.385 15.175 15.952 1.00 1.00 H new ATOM 0 HB VAL A 110 9.447 13.558 14.397 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.746 14.966 13.263 1.00 1.00 H new ATOM 0 HG12 VAL A 110 8.051 15.534 14.922 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.756 16.405 13.540 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.584 13.904 11.930 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.619 15.329 12.190 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.204 13.710 12.642 1.00 1.00 H new ATOM 1241 N LYS A 111 12.002 13.173 15.449 1.00 1.00 N ATOM 1242 CA LYS A 111 13.173 12.296 15.485 1.00 1.00 C ATOM 1243 C LYS A 111 13.125 11.287 14.342 1.00 1.00 C ATOM 1244 O LYS A 111 12.306 11.403 13.431 1.00 1.00 O ATOM 1245 CB LYS A 111 13.239 11.557 16.819 1.00 1.00 C ATOM 1246 CG LYS A 111 13.680 12.522 17.925 1.00 1.00 C ATOM 1247 CD LYS A 111 13.880 11.750 19.235 1.00 1.00 C ATOM 1248 CE LYS A 111 12.525 11.359 19.832 1.00 1.00 C ATOM 1249 NZ LYS A 111 12.717 10.875 21.223 1.00 1.00 N ATOM 0 H LYS A 111 11.170 12.785 15.894 1.00 1.00 H new ATOM 0 HA LYS A 111 14.064 12.913 15.372 1.00 1.00 H new ATOM 0 HB2 LYS A 111 12.264 11.134 17.060 1.00 1.00 H new ATOM 0 HB3 LYS A 111 13.939 10.724 16.750 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.607 13.019 17.639 1.00 1.00 H new ATOM 0 HG3 LYS A 111 12.930 13.301 18.062 1.00 1.00 H new ATOM 0 HD2 LYS A 111 14.476 10.856 19.051 1.00 1.00 H new ATOM 0 HD3 LYS A 111 14.435 12.363 19.945 1.00 1.00 H new ATOM 0 HE2 LYS A 111 11.851 12.216 19.824 1.00 1.00 H new ATOM 0 HE3 LYS A 111 12.060 10.582 19.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 11.797 10.610 21.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 13.345 10.046 21.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 13.143 11.630 21.797 1.00 1.00 H new ATOM 1263 N SER A 112 14.009 10.297 14.401 1.00 1.00 N ATOM 1264 CA SER A 112 14.061 9.266 13.373 1.00 1.00 C ATOM 1265 C SER A 112 12.848 8.349 13.462 1.00 1.00 C ATOM 1266 O SER A 112 12.351 7.864 12.446 1.00 1.00 O ATOM 1267 CB SER A 112 15.345 8.448 13.514 1.00 1.00 C ATOM 1268 OG SER A 112 16.416 9.315 13.863 1.00 1.00 O ATOM 0 H SER A 112 14.696 10.187 15.147 1.00 1.00 H new ATOM 0 HA SER A 112 14.052 9.755 12.399 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.219 7.680 14.278 1.00 1.00 H new ATOM 0 HB3 SER A 112 15.567 7.934 12.579 1.00 1.00 H new ATOM 0 HG SER A 112 16.143 10.245 13.720 1.00 1.00 H new ATOM 1274 N ALA A 113 12.385 8.108 14.682 1.00 1.00 N ATOM 1275 CA ALA A 113 11.236 7.235 14.890 1.00 1.00 C ATOM 1276 C ALA A 113 10.027 7.742 14.113 1.00 1.00 C ATOM 1277 O ALA A 113 9.346 6.972 13.437 1.00 1.00 O ATOM 1278 CB ALA A 113 10.894 7.172 16.381 1.00 1.00 C ATOM 0 H ALA A 113 12.783 8.500 15.535 1.00 1.00 H new ATOM 0 HA ALA A 113 11.492 6.238 14.530 1.00 1.00 H new ATOM 0 HB1 ALA A 113 10.035 6.518 16.530 1.00 1.00 H new ATOM 0 HB2 ALA A 113 11.748 6.781 16.934 1.00 1.00 H new ATOM 0 HB3 ALA A 113 10.656 8.172 16.742 1.00 1.00 H new ATOM 1284 N TRP A 114 9.762 9.038 14.213 1.00 1.00 N ATOM 1285 CA TRP A 114 8.626 9.619 13.512 1.00 1.00 C ATOM 1286 C TRP A 114 8.658 9.248 12.037 1.00 1.00 C ATOM 1287 O TRP A 114 7.723 8.630 11.522 1.00 1.00 O ATOM 1288 CB TRP A 114 8.661 11.142 13.651 1.00 1.00 C ATOM 1289 CG TRP A 114 7.595 11.753 12.795 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.301 11.909 13.153 1.00 1.00 C ATOM 1291 CD2 TRP A 114 7.711 12.295 11.448 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.619 12.505 12.109 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.445 12.762 11.038 1.00 1.00 C ATOM 1294 CE3 TRP A 114 8.783 12.420 10.555 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.250 13.335 9.782 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 8.595 12.998 9.288 1.00 1.00 C ATOM 1297 CH2 TRP A 114 7.327 13.452 8.903 1.00 1.00 C ATOM 0 H TRP A 114 10.310 9.698 14.765 1.00 1.00 H new ATOM 0 HA TRP A 114 7.710 9.227 13.954 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.511 11.425 14.693 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.639 11.521 13.356 1.00 1.00 H new ATOM 0 HD1 TRP A 114 5.871 11.616 14.099 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.624 12.728 12.130 1.00 1.00 H new ATOM 0 HE3 TRP A 114 9.763 12.069 10.843 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.271 13.686 9.491 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 9.430 13.092 8.610 1.00 1.00 H new ATOM 0 HH2 TRP A 114 7.183 13.892 7.927 1.00 1.00 H new ATOM 1308 N LEU A 115 9.730 9.638 11.355 1.00 1.00 N ATOM 1309 CA LEU A 115 9.847 9.345 9.939 1.00 1.00 C ATOM 1310 C LEU A 115 9.831 7.844 9.703 1.00 1.00 C ATOM 1311 O LEU A 115 9.065 7.347 8.875 1.00 1.00 O ATOM 1312 CB LEU A 115 11.150 9.935 9.384 1.00 1.00 C ATOM 1313 CG LEU A 115 11.346 9.500 7.931 1.00 1.00 C ATOM 1314 CD1 LEU A 115 10.114 9.860 7.096 1.00 1.00 C ATOM 1315 CD2 LEU A 115 12.556 10.215 7.355 1.00 1.00 C ATOM 0 H LEU A 115 10.516 10.149 11.756 1.00 1.00 H new ATOM 0 HA LEU A 115 8.998 9.795 9.425 1.00 1.00 H new ATOM 0 HB2 LEU A 115 11.121 11.023 9.445 1.00 1.00 H new ATOM 0 HB3 LEU A 115 11.995 9.604 9.988 1.00 1.00 H new ATOM 0 HG LEU A 115 11.494 8.421 7.903 1.00 1.00 H new ATOM 0 HD11 LEU A 115 10.269 9.544 6.064 1.00 1.00 H new ATOM 0 HD12 LEU A 115 9.238 9.354 7.503 1.00 1.00 H new ATOM 0 HD13 LEU A 115 9.957 10.938 7.126 1.00 1.00 H new ATOM 0 HD21 LEU A 115 12.701 9.909 6.319 1.00 1.00 H new ATOM 0 HD22 LEU A 115 12.396 11.292 7.396 1.00 1.00 H new ATOM 0 HD23 LEU A 115 13.441 9.958 7.936 1.00 1.00 H new ATOM 1327 N SER A 116 10.683 7.126 10.427 1.00 1.00 N ATOM 1328 CA SER A 116 10.764 5.676 10.279 1.00 1.00 C ATOM 1329 C SER A 116 9.369 5.086 10.145 1.00 1.00 C ATOM 1330 O SER A 116 9.046 4.468 9.133 1.00 1.00 O ATOM 1331 CB SER A 116 11.467 5.074 11.496 1.00 1.00 C ATOM 1332 OG SER A 116 10.588 5.123 12.612 1.00 1.00 O ATOM 0 H SER A 116 11.323 7.520 11.117 1.00 1.00 H new ATOM 0 HA SER A 116 11.334 5.441 9.380 1.00 1.00 H new ATOM 0 HB2 SER A 116 11.757 4.044 11.291 1.00 1.00 H new ATOM 0 HB3 SER A 116 12.382 5.626 11.713 1.00 1.00 H new ATOM 0 HG SER A 116 10.211 6.024 12.693 1.00 1.00 H new ATOM 1338 N LEU A 117 8.547 5.283 11.168 1.00 1.00 N ATOM 1339 CA LEU A 117 7.185 4.762 11.138 1.00 1.00 C ATOM 1340 C LEU A 117 6.416 5.377 9.976 1.00 1.00 C ATOM 1341 O LEU A 117 5.796 4.658 9.199 1.00 1.00 O ATOM 1342 CB LEU A 117 6.476 5.088 12.467 1.00 1.00 C ATOM 1343 CG LEU A 117 6.748 3.985 13.491 1.00 1.00 C ATOM 1344 CD1 LEU A 117 8.251 3.879 13.748 1.00 1.00 C ATOM 1345 CD2 LEU A 117 6.026 4.317 14.797 1.00 1.00 C ATOM 0 H LEU A 117 8.794 5.792 12.017 1.00 1.00 H new ATOM 0 HA LEU A 117 7.220 3.681 11.005 1.00 1.00 H new ATOM 0 HB2 LEU A 117 6.827 6.046 12.850 1.00 1.00 H new ATOM 0 HB3 LEU A 117 5.403 5.185 12.302 1.00 1.00 H new ATOM 0 HG LEU A 117 6.383 3.033 13.105 1.00 1.00 H new ATOM 0 HD11 LEU A 117 8.441 3.092 14.478 1.00 1.00 H new ATOM 0 HD12 LEU A 117 8.764 3.641 12.816 1.00 1.00 H new ATOM 0 HD13 LEU A 117 8.622 4.829 14.133 1.00 1.00 H new ATOM 0 HD21 LEU A 117 6.218 3.532 15.529 1.00 1.00 H new ATOM 0 HD22 LEU A 117 6.390 5.269 15.182 1.00 1.00 H new ATOM 0 HD23 LEU A 117 4.954 4.386 14.613 1.00 1.00 H new ATOM 1357 N CYS A 118 6.469 6.697 9.863 1.00 1.00 N ATOM 1358 CA CYS A 118 5.771 7.383 8.784 1.00 1.00 C ATOM 1359 C CYS A 118 6.207 6.822 7.441 1.00 1.00 C ATOM 1360 O CYS A 118 5.474 6.896 6.455 1.00 1.00 O ATOM 1361 CB CYS A 118 6.072 8.881 8.843 1.00 1.00 C ATOM 1362 SG CYS A 118 4.866 9.788 7.848 1.00 1.00 S ATOM 0 H CYS A 118 6.982 7.309 10.498 1.00 1.00 H new ATOM 0 HA CYS A 118 4.698 7.228 8.901 1.00 1.00 H new ATOM 0 HB2 CYS A 118 6.039 9.227 9.876 1.00 1.00 H new ATOM 0 HB3 CYS A 118 7.080 9.074 8.474 1.00 1.00 H new ATOM 0 HG CYS A 118 3.716 9.185 7.904 1.00 1.00 H new ATOM 1368 N LEU A 119 7.413 6.281 7.406 1.00 1.00 N ATOM 1369 CA LEU A 119 7.944 5.737 6.168 1.00 1.00 C ATOM 1370 C LEU A 119 7.221 4.450 5.768 1.00 1.00 C ATOM 1371 O LEU A 119 6.741 4.305 4.643 1.00 1.00 O ATOM 1372 CB LEU A 119 9.453 5.446 6.324 1.00 1.00 C ATOM 1373 CG LEU A 119 10.165 5.630 4.972 1.00 1.00 C ATOM 1374 CD1 LEU A 119 9.476 4.774 3.901 1.00 1.00 C ATOM 1375 CD2 LEU A 119 10.132 7.126 4.556 1.00 1.00 C ATOM 0 H LEU A 119 8.036 6.207 8.210 1.00 1.00 H new ATOM 0 HA LEU A 119 7.787 6.479 5.385 1.00 1.00 H new ATOM 0 HB2 LEU A 119 9.886 6.115 7.067 1.00 1.00 H new ATOM 0 HB3 LEU A 119 9.600 4.429 6.687 1.00 1.00 H new ATOM 0 HG LEU A 119 11.203 5.312 5.069 1.00 1.00 H new ATOM 0 HD11 LEU A 119 9.984 4.908 2.946 1.00 1.00 H new ATOM 0 HD12 LEU A 119 9.519 3.724 4.191 1.00 1.00 H new ATOM 0 HD13 LEU A 119 8.435 5.081 3.804 1.00 1.00 H new ATOM 0 HD21 LEU A 119 10.638 7.249 3.598 1.00 1.00 H new ATOM 0 HD22 LEU A 119 9.097 7.455 4.465 1.00 1.00 H new ATOM 0 HD23 LEU A 119 10.638 7.725 5.313 1.00 1.00 H new ATOM 1387 N GLN A 120 7.157 3.518 6.703 1.00 1.00 N ATOM 1388 CA GLN A 120 6.511 2.238 6.448 1.00 1.00 C ATOM 1389 C GLN A 120 5.000 2.379 6.528 1.00 1.00 C ATOM 1390 O GLN A 120 4.268 1.656 5.851 1.00 1.00 O ATOM 1391 CB GLN A 120 6.988 1.191 7.463 1.00 1.00 C ATOM 1392 CG GLN A 120 7.037 1.815 8.853 1.00 1.00 C ATOM 1393 CD GLN A 120 7.190 0.733 9.913 1.00 1.00 C ATOM 1394 OE1 GLN A 120 7.828 -0.289 9.669 1.00 1.00 O ATOM 1395 NE2 GLN A 120 6.642 0.900 11.087 1.00 1.00 N ATOM 0 H GLN A 120 7.542 3.621 7.642 1.00 1.00 H new ATOM 0 HA GLN A 120 6.782 1.911 5.444 1.00 1.00 H new ATOM 0 HB2 GLN A 120 6.314 0.334 7.461 1.00 1.00 H new ATOM 0 HB3 GLN A 120 7.975 0.821 7.184 1.00 1.00 H new ATOM 0 HG2 GLN A 120 7.870 2.515 8.916 1.00 1.00 H new ATOM 0 HG3 GLN A 120 6.126 2.386 9.035 1.00 1.00 H new ATOM 0 HE21 GLN A 120 6.113 1.749 11.287 1.00 1.00 H new ATOM 0 HE22 GLN A 120 6.743 0.181 11.804 1.00 1.00 H new ATOM 1404 N GLU A 121 4.535 3.306 7.367 1.00 1.00 N ATOM 1405 CA GLU A 121 3.105 3.514 7.532 1.00 1.00 C ATOM 1406 C GLU A 121 2.495 3.956 6.238 1.00 1.00 C ATOM 1407 O GLU A 121 1.487 3.392 5.848 1.00 1.00 O ATOM 1408 CB GLU A 121 2.851 4.558 8.612 1.00 1.00 C ATOM 1409 CG GLU A 121 2.730 3.881 9.973 1.00 1.00 C ATOM 1410 CD GLU A 121 3.917 2.959 10.208 1.00 1.00 C ATOM 1411 OE1 GLU A 121 3.908 1.868 9.663 1.00 1.00 O ATOM 1412 OE2 GLU A 121 4.818 3.357 10.927 1.00 1.00 O ATOM 0 H GLU A 121 5.124 3.916 7.934 1.00 1.00 H new ATOM 0 HA GLU A 121 2.645 2.573 7.834 1.00 1.00 H new ATOM 0 HB2 GLU A 121 3.665 5.282 8.628 1.00 1.00 H new ATOM 0 HB3 GLU A 121 1.938 5.110 8.389 1.00 1.00 H new ATOM 0 HG2 GLU A 121 2.684 4.634 10.759 1.00 1.00 H new ATOM 0 HG3 GLU A 121 1.802 3.311 10.023 1.00 1.00 H new ATOM 1419 N ARG A 122 3.115 4.960 5.588 1.00 1.00 N ATOM 1420 CA ARG A 122 2.628 5.482 4.301 1.00 1.00 C ATOM 1421 C ARG A 122 1.645 6.624 4.503 1.00 1.00 C ATOM 1422 O ARG A 122 0.716 6.803 3.715 1.00 1.00 O ATOM 1423 CB ARG A 122 1.973 4.370 3.472 1.00 1.00 C ATOM 1424 CG ARG A 122 2.965 3.189 3.311 1.00 1.00 C ATOM 1425 CD ARG A 122 3.829 3.416 2.085 1.00 1.00 C ATOM 1426 NE ARG A 122 2.984 3.534 0.908 1.00 1.00 N ATOM 1427 CZ ARG A 122 3.488 3.885 -0.265 1.00 1.00 C ATOM 1428 NH1 ARG A 122 4.762 4.137 -0.376 1.00 1.00 N ATOM 1429 NH2 ARG A 122 2.708 3.985 -1.304 1.00 1.00 N ATOM 0 H ARG A 122 3.954 5.424 5.935 1.00 1.00 H new ATOM 0 HA ARG A 122 3.492 5.864 3.758 1.00 1.00 H new ATOM 0 HB2 ARG A 122 1.061 4.028 3.960 1.00 1.00 H new ATOM 0 HB3 ARG A 122 1.686 4.753 2.493 1.00 1.00 H new ATOM 0 HG2 ARG A 122 3.591 3.103 4.199 1.00 1.00 H new ATOM 0 HG3 ARG A 122 2.418 2.251 3.215 1.00 1.00 H new ATOM 0 HD2 ARG A 122 4.424 4.320 2.210 1.00 1.00 H new ATOM 0 HD3 ARG A 122 4.528 2.589 1.962 1.00 1.00 H new ATOM 0 HE ARG A 122 1.985 3.343 0.987 1.00 1.00 H new ATOM 0 HH11 ARG A 122 5.369 4.064 0.440 1.00 1.00 H new ATOM 0 HH12 ARG A 122 5.152 4.407 -1.279 1.00 1.00 H new ATOM 0 HH21 ARG A 122 1.710 3.793 -1.213 1.00 1.00 H new ATOM 0 HH22 ARG A 122 3.095 4.255 -2.208 1.00 1.00 H new ATOM 1443 N ARG A 123 1.856 7.399 5.555 1.00 1.00 N ATOM 1444 CA ARG A 123 0.969 8.526 5.841 1.00 1.00 C ATOM 1445 C ARG A 123 1.507 9.343 7.006 1.00 1.00 C ATOM 1446 O ARG A 123 2.369 8.882 7.749 1.00 1.00 O ATOM 1447 CB ARG A 123 -0.440 8.015 6.160 1.00 1.00 C ATOM 1448 CG ARG A 123 -0.373 7.025 7.336 1.00 1.00 C ATOM 1449 CD ARG A 123 -0.261 7.773 8.682 1.00 1.00 C ATOM 1450 NE ARG A 123 -1.106 7.132 9.676 1.00 1.00 N ATOM 1451 CZ ARG A 123 -0.662 6.127 10.414 1.00 1.00 C ATOM 1452 NH1 ARG A 123 0.553 5.689 10.251 1.00 1.00 N ATOM 1453 NH2 ARG A 123 -1.439 5.582 11.303 1.00 1.00 N ATOM 0 H ARG A 123 2.621 7.275 6.219 1.00 1.00 H new ATOM 0 HA ARG A 123 0.923 9.167 4.961 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -1.093 8.851 6.411 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -0.868 7.527 5.284 1.00 1.00 H new ATOM 0 HG2 ARG A 123 -1.263 6.396 7.338 1.00 1.00 H new ATOM 0 HG3 ARG A 123 0.484 6.363 7.211 1.00 1.00 H new ATOM 0 HD2 ARG A 123 0.775 7.777 9.021 1.00 1.00 H new ATOM 0 HD3 ARG A 123 -0.559 8.814 8.555 1.00 1.00 H new ATOM 0 HE ARG A 123 -2.062 7.464 9.808 1.00 1.00 H new ATOM 0 HH11 ARG A 123 1.162 6.120 9.555 1.00 1.00 H new ATOM 0 HH12 ARG A 123 0.896 4.915 10.819 1.00 1.00 H new ATOM 0 HH21 ARG A 123 -2.390 5.929 11.431 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -1.098 4.807 11.872 1.00 1.00 H new ATOM 1467 N LEU A 124 1.007 10.563 7.150 1.00 1.00 N ATOM 1468 CA LEU A 124 1.468 11.437 8.222 1.00 1.00 C ATOM 1469 C LEU A 124 1.086 10.881 9.588 1.00 1.00 C ATOM 1470 O LEU A 124 -0.070 10.556 9.836 1.00 1.00 O ATOM 1471 CB LEU A 124 0.851 12.829 8.056 1.00 1.00 C ATOM 1472 CG LEU A 124 1.495 13.822 9.052 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.773 14.407 8.447 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.513 14.954 9.358 1.00 1.00 C ATOM 0 H LEU A 124 0.291 10.967 6.546 1.00 1.00 H new ATOM 0 HA LEU A 124 2.555 11.499 8.163 1.00 1.00 H new ATOM 0 HB2 LEU A 124 0.998 13.180 7.035 1.00 1.00 H new ATOM 0 HB3 LEU A 124 -0.225 12.780 8.224 1.00 1.00 H new ATOM 0 HG LEU A 124 1.740 13.294 9.974 1.00 1.00 H new ATOM 0 HD11 LEU A 124 3.223 15.106 9.152 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.477 13.602 8.235 1.00 1.00 H new ATOM 0 HD13 LEU A 124 2.531 14.930 7.522 1.00 1.00 H new ATOM 0 HD21 LEU A 124 0.969 15.652 10.060 1.00 1.00 H new ATOM 0 HD22 LEU A 124 0.263 15.478 8.436 1.00 1.00 H new ATOM 0 HD23 LEU A 124 -0.395 14.540 9.797 1.00 1.00 H new ATOM 1486 N VAL A 125 2.069 10.798 10.480 1.00 1.00 N ATOM 1487 CA VAL A 125 1.838 10.287 11.834 1.00 1.00 C ATOM 1488 C VAL A 125 2.029 11.398 12.860 1.00 1.00 C ATOM 1489 O VAL A 125 2.748 12.366 12.617 1.00 1.00 O ATOM 1490 CB VAL A 125 2.806 9.140 12.124 1.00 1.00 C ATOM 1491 CG1 VAL A 125 2.668 8.070 11.043 1.00 1.00 C ATOM 1492 CG2 VAL A 125 4.240 9.668 12.150 1.00 1.00 C ATOM 0 H VAL A 125 3.032 11.077 10.293 1.00 1.00 H new ATOM 0 HA VAL A 125 0.814 9.921 11.902 1.00 1.00 H new ATOM 0 HB VAL A 125 2.569 8.704 13.095 1.00 1.00 H new ATOM 0 HG11 VAL A 125 3.358 7.252 11.250 1.00 1.00 H new ATOM 0 HG12 VAL A 125 1.647 7.690 11.036 1.00 1.00 H new ATOM 0 HG13 VAL A 125 2.900 8.503 10.070 1.00 1.00 H new ATOM 0 HG21 VAL A 125 4.926 8.847 12.357 1.00 1.00 H new ATOM 0 HG22 VAL A 125 4.483 10.109 11.183 1.00 1.00 H new ATOM 0 HG23 VAL A 125 4.335 10.425 12.928 1.00 1.00 H new ATOM 1502 N ASP A 126 1.365 11.256 14.000 1.00 1.00 N ATOM 1503 CA ASP A 126 1.451 12.254 15.057 1.00 1.00 C ATOM 1504 C ASP A 126 2.882 12.372 15.561 1.00 1.00 C ATOM 1505 O ASP A 126 3.622 11.391 15.578 1.00 1.00 O ATOM 1506 CB ASP A 126 0.533 11.867 16.218 1.00 1.00 C ATOM 1507 CG ASP A 126 0.930 10.499 16.762 1.00 1.00 C ATOM 1508 OD1 ASP A 126 1.796 9.876 16.169 1.00 1.00 O ATOM 1509 OD2 ASP A 126 0.362 10.093 17.762 1.00 1.00 O ATOM 0 H ASP A 126 0.763 10.462 14.216 1.00 1.00 H new ATOM 0 HA ASP A 126 1.137 13.215 14.650 1.00 1.00 H new ATOM 0 HB2 ASP A 126 0.598 12.615 17.008 1.00 1.00 H new ATOM 0 HB3 ASP A 126 -0.504 11.847 15.882 1.00 1.00 H new ATOM 1514 N VAL A 127 3.268 13.582 15.963 1.00 1.00 N ATOM 1515 CA VAL A 127 4.620 13.828 16.459 1.00 1.00 C ATOM 1516 C VAL A 127 4.596 14.054 17.968 1.00 1.00 C ATOM 1517 O VAL A 127 5.630 14.312 18.579 1.00 1.00 O ATOM 1518 CB VAL A 127 5.210 15.058 15.758 1.00 1.00 C ATOM 1519 CG1 VAL A 127 4.861 15.016 14.268 1.00 1.00 C ATOM 1520 CG2 VAL A 127 4.646 16.345 16.373 1.00 1.00 C ATOM 0 H VAL A 127 2.665 14.405 15.955 1.00 1.00 H new ATOM 0 HA VAL A 127 5.240 12.957 16.245 1.00 1.00 H new ATOM 0 HB VAL A 127 6.292 15.047 15.885 1.00 1.00 H new ATOM 0 HG11 VAL A 127 5.281 15.891 13.771 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.276 14.112 13.823 1.00 1.00 H new ATOM 0 HG13 VAL A 127 3.778 15.016 14.148 1.00 1.00 H new ATOM 0 HG21 VAL A 127 5.074 17.209 15.865 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.562 16.358 16.260 1.00 1.00 H new ATOM 0 HG23 VAL A 127 4.900 16.384 17.432 1.00 1.00 H new ATOM 1530 N ALA A 128 3.406 13.972 18.555 1.00 1.00 N ATOM 1531 CA ALA A 128 3.262 14.183 19.989 1.00 1.00 C ATOM 1532 C ALA A 128 3.906 13.042 20.766 1.00 1.00 C ATOM 1533 O ALA A 128 3.237 12.324 21.507 1.00 1.00 O ATOM 1534 CB ALA A 128 1.781 14.279 20.358 1.00 1.00 C ATOM 0 H ALA A 128 2.536 13.763 18.065 1.00 1.00 H new ATOM 0 HA ALA A 128 3.763 15.115 20.250 1.00 1.00 H new ATOM 0 HB1 ALA A 128 1.683 14.437 21.432 1.00 1.00 H new ATOM 0 HB2 ALA A 128 1.327 15.115 19.826 1.00 1.00 H new ATOM 0 HB3 ALA A 128 1.276 13.354 20.080 1.00 1.00 H new ATOM 1540 N GLY A 129 5.212 12.882 20.589 1.00 1.00 N ATOM 1541 CA GLY A 129 5.941 11.824 21.278 1.00 1.00 C ATOM 1542 C GLY A 129 7.367 11.712 20.758 1.00 1.00 C ATOM 1543 O GLY A 129 8.267 11.297 21.484 1.00 1.00 O ATOM 0 H GLY A 129 5.784 13.466 19.979 1.00 1.00 H new ATOM 0 HA2 GLY A 129 5.956 12.027 22.349 1.00 1.00 H new ATOM 0 HA3 GLY A 129 5.425 10.874 21.141 1.00 1.00 H new ATOM 1547 N PHE A 130 7.568 12.087 19.495 1.00 1.00 N ATOM 1548 CA PHE A 130 8.896 12.029 18.882 1.00 1.00 C ATOM 1549 C PHE A 130 9.453 13.434 18.688 1.00 1.00 C ATOM 1550 O PHE A 130 10.633 13.606 18.389 1.00 1.00 O ATOM 1551 CB PHE A 130 8.806 11.326 17.532 1.00 1.00 C ATOM 1552 CG PHE A 130 8.272 9.923 17.725 1.00 1.00 C ATOM 1553 CD1 PHE A 130 9.013 8.986 18.457 1.00 1.00 C ATOM 1554 CD2 PHE A 130 7.036 9.558 17.173 1.00 1.00 C ATOM 1555 CE1 PHE A 130 8.519 7.689 18.637 1.00 1.00 C ATOM 1556 CE2 PHE A 130 6.544 8.262 17.352 1.00 1.00 C ATOM 1557 CZ PHE A 130 7.285 7.326 18.084 1.00 1.00 C ATOM 0 H PHE A 130 6.833 12.433 18.878 1.00 1.00 H new ATOM 0 HA PHE A 130 9.563 11.473 19.541 1.00 1.00 H new ATOM 0 HB2 PHE A 130 8.153 11.886 16.862 1.00 1.00 H new ATOM 0 HB3 PHE A 130 9.789 11.290 17.063 1.00 1.00 H new ATOM 0 HD1 PHE A 130 9.966 9.265 18.883 1.00 1.00 H new ATOM 0 HD2 PHE A 130 6.463 10.279 16.609 1.00 1.00 H new ATOM 0 HE1 PHE A 130 9.090 6.968 19.203 1.00 1.00 H new ATOM 0 HE2 PHE A 130 5.592 7.982 16.926 1.00 1.00 H new ATOM 0 HZ PHE A 130 6.905 6.325 18.222 1.00 1.00 H new ATOM 1567 N SER A 131 8.598 14.437 18.863 1.00 1.00 N ATOM 1568 CA SER A 131 9.024 15.825 18.713 1.00 1.00 C ATOM 1569 C SER A 131 9.856 16.273 19.903 1.00 1.00 C ATOM 1570 O SER A 131 9.512 16.001 21.053 1.00 1.00 O ATOM 1571 CB SER A 131 7.809 16.728 18.549 1.00 1.00 C ATOM 1572 OG SER A 131 8.160 18.058 18.909 1.00 1.00 O ATOM 0 H SER A 131 7.615 14.317 19.107 1.00 1.00 H new ATOM 0 HA SER A 131 9.646 15.897 17.821 1.00 1.00 H new ATOM 0 HB2 SER A 131 7.457 16.699 17.518 1.00 1.00 H new ATOM 0 HB3 SER A 131 6.991 16.373 19.176 1.00 1.00 H new ATOM 0 HG SER A 131 7.380 18.642 18.803 1.00 1.00 H new ATOM 1578 N ILE A 132 10.960 16.958 19.618 1.00 1.00 N ATOM 1579 CA ILE A 132 11.844 17.435 20.674 1.00 1.00 C ATOM 1580 C ILE A 132 11.283 18.686 21.293 1.00 1.00 C ATOM 1581 O ILE A 132 10.919 18.681 22.467 1.00 1.00 O ATOM 1582 CB ILE A 132 13.234 17.719 20.113 1.00 1.00 C ATOM 1583 CG1 ILE A 132 13.754 16.467 19.409 1.00 1.00 C ATOM 1584 CG2 ILE A 132 14.179 18.084 21.264 1.00 1.00 C ATOM 1585 CD1 ILE A 132 14.977 16.824 18.567 1.00 1.00 C ATOM 0 H ILE A 132 11.261 17.193 18.672 1.00 1.00 H new ATOM 0 HA ILE A 132 11.921 16.661 21.437 1.00 1.00 H new ATOM 0 HB ILE A 132 13.185 18.546 19.405 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.016 15.706 20.144 1.00 1.00 H new ATOM 0 HG13 ILE A 132 12.975 16.043 18.775 1.00 1.00 H new ATOM 0 HG21 ILE A 132 15.174 18.288 20.867 1.00 1.00 H new ATOM 0 HG22 ILE A 132 13.804 18.970 21.776 1.00 1.00 H new ATOM 0 HG23 ILE A 132 14.232 17.254 21.968 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.347 15.930 18.065 1.00 1.00 H new ATOM 0 HD12 ILE A 132 14.701 17.570 17.822 1.00 1.00 H new ATOM 0 HD13 ILE A 132 15.758 17.227 19.212 1.00 1.00 H new ATOM 1597 N PHE A 133 11.227 19.758 20.502 1.00 1.00 N ATOM 1598 CA PHE A 133 10.709 21.031 20.975 1.00 1.00 C ATOM 1599 C PHE A 133 11.600 21.619 22.042 1.00 1.00 C ATOM 1600 O PHE A 133 11.733 22.832 22.085 1.00 1.00 O ATOM 1601 CB PHE A 133 9.273 20.879 21.513 1.00 1.00 C ATOM 1602 CG PHE A 133 8.851 22.133 22.258 1.00 1.00 C ATOM 1603 CD1 PHE A 133 8.911 23.379 21.628 1.00 1.00 C ATOM 1604 CD2 PHE A 133 8.401 22.043 23.586 1.00 1.00 C ATOM 1605 CE1 PHE A 133 8.526 24.528 22.318 1.00 1.00 C ATOM 1606 CE2 PHE A 133 8.016 23.190 24.274 1.00 1.00 C ATOM 1607 CZ PHE A 133 8.079 24.437 23.641 1.00 1.00 C ATOM 0 H PHE A 133 11.536 19.764 19.530 1.00 1.00 H new ATOM 0 HA PHE A 133 10.692 21.712 20.124 1.00 1.00 H new ATOM 0 HB2 PHE A 133 8.587 20.691 20.687 1.00 1.00 H new ATOM 0 HB3 PHE A 133 9.216 20.017 22.178 1.00 1.00 H new ATOM 0 HD1 PHE A 133 9.255 23.452 20.607 1.00 1.00 H new ATOM 0 HD2 PHE A 133 8.354 21.081 24.074 1.00 1.00 H new ATOM 0 HE1 PHE A 133 8.573 25.490 21.830 1.00 1.00 H new ATOM 0 HE2 PHE A 133 7.669 23.118 25.294 1.00 1.00 H new ATOM 0 HZ PHE A 133 7.783 25.329 24.174 1.00 1.00 H new ATOM 1617 N ILE A 134 12.170 20.756 22.894 1.00 1.00 N ATOM 1618 CA ILE A 134 13.037 21.155 24.000 1.00 1.00 C ATOM 1619 C ILE A 134 13.029 20.080 25.097 1.00 1.00 C ATOM 1620 O ILE A 134 14.092 19.600 25.507 1.00 1.00 O ATOM 1621 CB ILE A 134 12.575 22.509 24.590 1.00 1.00 C ATOM 1622 CG1 ILE A 134 13.342 23.657 23.900 1.00 1.00 C ATOM 1623 CG2 ILE A 134 12.827 22.567 26.120 1.00 1.00 C ATOM 1624 CD1 ILE A 134 14.649 23.942 24.626 1.00 1.00 C ATOM 0 H ILE A 134 12.037 19.747 22.829 1.00 1.00 H new ATOM 0 HA ILE A 134 14.052 21.266 23.617 1.00 1.00 H new ATOM 0 HB ILE A 134 11.504 22.614 24.414 1.00 1.00 H new ATOM 0 HG12 ILE A 134 13.546 23.393 22.862 1.00 1.00 H new ATOM 0 HG13 ILE A 134 12.725 24.556 23.884 1.00 1.00 H new ATOM 0 HG21 ILE A 134 12.493 23.529 26.508 1.00 1.00 H new ATOM 0 HG22 ILE A 134 12.273 21.766 26.611 1.00 1.00 H new ATOM 0 HG23 ILE A 134 13.892 22.446 26.318 1.00 1.00 H new ATOM 0 HD11 ILE A 134 15.174 24.754 24.124 1.00 1.00 H new ATOM 0 HD12 ILE A 134 14.438 24.228 25.656 1.00 1.00 H new ATOM 0 HD13 ILE A 134 15.272 23.048 24.618 1.00 1.00 H new ATOM 1636 N PRO A 135 11.870 19.723 25.596 1.00 1.00 N ATOM 1637 CA PRO A 135 11.747 18.717 26.688 1.00 1.00 C ATOM 1638 C PRO A 135 12.360 17.373 26.299 1.00 1.00 C ATOM 1639 O PRO A 135 12.611 17.181 25.122 1.00 1.00 O ATOM 1640 CB PRO A 135 10.222 18.605 26.905 1.00 1.00 C ATOM 1641 CG PRO A 135 9.608 19.138 25.653 1.00 1.00 C ATOM 1642 CD PRO A 135 10.548 20.214 25.172 1.00 1.00 C ATOM 1643 OXT PRO A 135 12.566 16.565 27.186 1.00 1.00 O ATOM 0 HA PRO A 135 12.283 19.012 27.590 1.00 1.00 H new ATOM 0 HB2 PRO A 135 9.924 17.571 27.080 1.00 1.00 H new ATOM 0 HB3 PRO A 135 9.905 19.180 27.775 1.00 1.00 H new ATOM 0 HG2 PRO A 135 9.495 18.353 24.906 1.00 1.00 H new ATOM 0 HG3 PRO A 135 8.614 19.542 25.844 1.00 1.00 H new ATOM 0 HD2 PRO A 135 10.494 20.341 24.091 1.00 1.00 H new ATOM 0 HD3 PRO A 135 10.316 21.181 25.619 1.00 1.00 H new