USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 36 LYS NZ :NH3+ 170:sc= 0.698 (180deg=-0.0341) USER MOD Set 1.2: A 56 SER OG : rot 20:sc= 0.763 USER MOD Single : A 13 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.091) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 1.27 (180deg=0.758) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.382 F(o=-1.6,f=-0.38) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0061 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 58:sc= 0.87 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.0938 (180deg=-0.515) USER MOD Single : A 62 TYR OH : rot -15:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc=-0.00705 F(o=-1.2,f=-0.0071) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 60:sc= 0.068 USER MOD Single : A 77 GLN : amide:sc= -4.15! C(o=-4.2!,f=-4.6!) USER MOD Single : A 79 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.04) USER MOD Single : A 85 SER OG : rot 180:sc= -0.601 USER MOD Single : A 89 LYS NZ :NH3+ -106:sc= 1.28 (180deg=0.0504) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.568 (180deg=-0.779) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -124:sc= 1.29 (180deg=-0.22) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.461 F(o=-1.3,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 12.077 -3.128 6.145 1.00 3.85 N ATOM 109 CA ARG A 9 10.903 -2.407 6.542 1.00 3.14 C ATOM 110 C ARG A 9 11.199 -0.948 6.710 1.00 2.98 C ATOM 111 O ARG A 9 11.028 -0.396 7.802 1.00 3.23 O ATOM 112 CB ARG A 9 10.422 -2.990 7.881 1.00 2.97 C ATOM 113 CG ARG A 9 10.012 -4.462 7.782 1.00 3.11 C ATOM 114 CD ARG A 9 9.509 -5.003 9.093 1.00 3.35 C ATOM 115 NE ARG A 9 8.614 -6.159 8.931 1.00 3.78 N ATOM 116 CZ ARG A 9 8.970 -7.309 8.356 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.264 -7.622 8.219 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.065 -8.272 8.228 1.00 4.95 N ATOM 0 HA ARG A 9 10.137 -2.507 5.773 1.00 3.14 H new ATOM 0 HB2 ARG A 9 11.216 -2.889 8.621 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.575 -2.406 8.241 1.00 2.97 H new ATOM 0 HG2 ARG A 9 9.236 -4.571 7.025 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.866 -5.053 7.451 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.359 -5.292 9.711 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.981 -4.213 9.627 1.00 3.35 H new ATOM 0 HE ARG A 9 7.659 -6.076 9.281 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.982 -6.980 8.555 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.532 -8.502 7.779 1.00 4.46 H new ATOM 0 HH21 ARG A 9 7.114 -8.126 8.567 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.321 -9.157 7.791 1.00 4.95 H new ATOM 132 N ILE A 10 11.681 -0.345 5.642 1.00 2.78 N ATOM 133 CA ILE A 10 12.037 1.072 5.675 1.00 2.70 C ATOM 134 C ILE A 10 10.843 1.927 6.095 1.00 2.20 C ATOM 135 O ILE A 10 10.984 2.894 6.878 1.00 2.49 O ATOM 136 CB ILE A 10 12.618 1.581 4.349 1.00 2.80 C ATOM 137 CG1 ILE A 10 13.232 2.938 4.535 1.00 2.80 C ATOM 138 CG2 ILE A 10 11.590 1.566 3.235 1.00 2.55 C ATOM 139 CD1 ILE A 10 14.421 2.915 5.493 1.00 3.25 C ATOM 0 H ILE A 10 11.837 -0.803 4.744 1.00 2.78 H new ATOM 0 HA ILE A 10 12.826 1.167 6.421 1.00 2.70 H new ATOM 0 HB ILE A 10 13.407 0.896 4.041 1.00 2.80 H new ATOM 0 HG12 ILE A 10 13.556 3.322 3.568 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.477 3.626 4.915 1.00 2.80 H new ATOM 0 HG21 ILE A 10 12.045 1.934 2.315 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.235 0.547 3.082 1.00 2.55 H new ATOM 0 HG23 ILE A 10 10.750 2.206 3.506 1.00 2.55 H new ATOM 0 HD11 ILE A 10 14.828 3.921 5.592 1.00 3.25 H new ATOM 0 HD12 ILE A 10 14.094 2.558 6.470 1.00 3.25 H new ATOM 0 HD13 ILE A 10 15.191 2.249 5.102 1.00 3.25 H new ATOM 151 N ILE A 11 9.649 1.535 5.610 1.00 1.98 N ATOM 152 CA ILE A 11 8.447 2.226 5.988 1.00 1.56 C ATOM 153 C ILE A 11 7.515 1.270 6.732 1.00 1.31 C ATOM 154 O ILE A 11 7.669 1.055 7.934 1.00 1.71 O ATOM 155 CB ILE A 11 7.732 2.909 4.793 1.00 1.37 C ATOM 156 CG1 ILE A 11 8.614 4.074 4.292 1.00 1.94 C ATOM 157 CG2 ILE A 11 6.352 3.435 5.178 1.00 1.05 C ATOM 158 CD1 ILE A 11 7.949 4.937 3.210 1.00 2.05 C ATOM 0 H ILE A 11 9.513 0.754 4.968 1.00 1.98 H new ATOM 0 HA ILE A 11 8.733 3.039 6.655 1.00 1.56 H new ATOM 0 HB ILE A 11 7.588 2.168 4.007 1.00 1.37 H new ATOM 0 HG12 ILE A 11 8.876 4.708 5.139 1.00 1.94 H new ATOM 0 HG13 ILE A 11 9.545 3.668 3.897 1.00 1.94 H new ATOM 0 HG21 ILE A 11 5.887 3.905 4.312 1.00 1.05 H new ATOM 0 HG22 ILE A 11 5.730 2.608 5.519 1.00 1.05 H new ATOM 0 HG23 ILE A 11 6.452 4.168 5.979 1.00 1.05 H new ATOM 0 HD11 ILE A 11 8.630 5.733 2.910 1.00 2.05 H new ATOM 0 HD12 ILE A 11 7.712 4.317 2.345 1.00 2.05 H new ATOM 0 HD13 ILE A 11 7.032 5.374 3.606 1.00 2.05 H new ATOM 170 N ARG A 12 6.567 0.671 6.039 1.00 0.96 N ATOM 171 CA ARG A 12 5.659 -0.243 6.670 1.00 1.02 C ATOM 172 C ARG A 12 5.001 -1.179 5.659 1.00 0.77 C ATOM 173 O ARG A 12 5.169 -1.022 4.458 1.00 0.91 O ATOM 174 CB ARG A 12 4.580 0.542 7.402 1.00 1.53 C ATOM 175 CG ARG A 12 4.075 -0.133 8.665 1.00 2.10 C ATOM 176 CD ARG A 12 3.202 0.798 9.498 1.00 2.67 C ATOM 177 NE ARG A 12 3.853 2.057 9.799 1.00 3.29 N ATOM 178 CZ ARG A 12 3.256 3.073 10.454 1.00 3.98 C ATOM 179 NH1 ARG A 12 1.955 3.018 10.726 1.00 4.30 N ATOM 180 NH2 ARG A 12 3.895 4.218 10.626 1.00 4.72 N ATOM 0 H ARG A 12 6.412 0.806 5.040 1.00 0.96 H new ATOM 0 HA ARG A 12 6.231 -0.852 7.370 1.00 1.02 H new ATOM 0 HB2 ARG A 12 4.973 1.526 7.660 1.00 1.53 H new ATOM 0 HB3 ARG A 12 3.740 0.701 6.726 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.505 -1.023 8.398 1.00 2.10 H new ATOM 0 HG3 ARG A 12 4.924 -0.466 9.263 1.00 2.10 H new ATOM 0 HD2 ARG A 12 2.273 0.993 8.963 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.934 0.300 10.430 1.00 2.67 H new ATOM 0 HE ARG A 12 4.819 2.182 9.498 1.00 3.29 H new ATOM 0 HH11 ARG A 12 1.408 2.206 10.439 1.00 4.30 H new ATOM 0 HH12 ARG A 12 1.505 3.787 11.222 1.00 4.30 H new ATOM 0 HH21 ARG A 12 4.841 4.334 10.263 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.442 4.986 11.122 1.00 4.72 H new ATOM 194 N HIS A 13 4.262 -2.142 6.149 1.00 0.70 N ATOM 195 CA HIS A 13 3.569 -3.079 5.281 1.00 0.68 C ATOM 196 C HIS A 13 2.388 -3.645 6.063 1.00 0.74 C ATOM 197 O HIS A 13 2.529 -3.985 7.243 1.00 1.04 O ATOM 198 CB HIS A 13 4.518 -4.194 4.758 1.00 0.93 C ATOM 199 CG HIS A 13 4.797 -5.297 5.728 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.285 -5.092 6.998 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.664 -6.636 5.592 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.437 -6.273 7.592 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.061 -7.219 6.767 1.00 1.80 N ATOM 0 H HIS A 13 4.120 -2.303 7.146 1.00 0.70 H new ATOM 0 HA HIS A 13 3.208 -2.568 4.389 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.084 -4.626 3.856 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.465 -3.738 4.469 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.308 -7.154 4.714 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.810 -6.427 8.594 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.063 -8.219 6.966 1.00 1.80 H new ATOM 212 N ASP A 14 1.223 -3.722 5.419 1.00 0.60 N ATOM 213 CA ASP A 14 0.034 -4.236 6.062 1.00 0.69 C ATOM 214 C ASP A 14 -0.766 -5.111 5.110 1.00 0.61 C ATOM 215 O ASP A 14 -0.216 -5.662 4.171 1.00 0.86 O ATOM 216 CB ASP A 14 -0.818 -3.094 6.596 1.00 0.83 C ATOM 217 CG ASP A 14 -1.670 -3.543 7.763 1.00 1.31 C ATOM 218 OD1 ASP A 14 -1.121 -3.665 8.875 1.00 2.03 O ATOM 219 OD2 ASP A 14 -2.880 -3.810 7.577 1.00 1.78 O ATOM 0 H ASP A 14 1.087 -3.432 4.451 1.00 0.60 H new ATOM 0 HA ASP A 14 0.343 -4.856 6.904 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.174 -2.272 6.908 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.459 -2.713 5.801 1.00 0.83 H new ATOM 224 N ALA A 15 -2.054 -5.265 5.365 1.00 0.75 N ATOM 225 CA ALA A 15 -2.871 -6.108 4.511 1.00 0.71 C ATOM 226 C ALA A 15 -4.346 -5.692 4.565 1.00 0.68 C ATOM 227 O ALA A 15 -4.924 -5.512 5.638 1.00 0.88 O ATOM 228 CB ALA A 15 -2.734 -7.574 4.917 1.00 0.84 C ATOM 0 H ALA A 15 -2.549 -4.826 6.142 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.515 -5.984 3.488 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.353 -8.191 4.266 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.692 -7.881 4.825 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.059 -7.697 5.950 1.00 0.84 H new ATOM 234 N PHE A 16 -4.943 -5.547 3.394 1.00 0.60 N ATOM 235 CA PHE A 16 -6.347 -5.161 3.270 1.00 0.67 C ATOM 236 C PHE A 16 -7.079 -6.102 2.311 1.00 0.68 C ATOM 237 O PHE A 16 -6.500 -6.589 1.335 1.00 1.00 O ATOM 238 CB PHE A 16 -6.442 -3.728 2.734 1.00 0.77 C ATOM 239 CG PHE A 16 -6.017 -2.705 3.735 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.697 -2.529 4.907 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.934 -1.899 3.473 1.00 1.74 C ATOM 242 CE1 PHE A 16 -6.314 -1.564 5.818 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.543 -0.935 4.379 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.236 -0.762 5.551 1.00 2.35 C ATOM 0 H PHE A 16 -4.473 -5.692 2.501 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.811 -5.222 4.254 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.821 -3.637 1.843 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.469 -3.527 2.429 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.549 -3.156 5.125 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.385 -2.022 2.551 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.864 -1.442 6.740 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.687 -0.313 4.165 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.934 -0.001 6.256 1.00 2.35 H new ATOM 254 N GLN A 17 -8.343 -6.362 2.593 1.00 0.59 N ATOM 255 CA GLN A 17 -9.153 -7.237 1.766 1.00 0.60 C ATOM 256 C GLN A 17 -10.370 -6.475 1.296 1.00 0.64 C ATOM 257 O GLN A 17 -11.482 -6.650 1.820 1.00 0.95 O ATOM 258 CB GLN A 17 -9.573 -8.473 2.582 1.00 0.74 C ATOM 259 CG GLN A 17 -10.328 -9.523 1.783 1.00 1.07 C ATOM 260 CD GLN A 17 -10.766 -10.674 2.662 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.562 -10.492 3.584 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.256 -11.855 2.381 1.00 1.63 N ATOM 0 H GLN A 17 -8.835 -5.974 3.398 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.582 -7.571 0.900 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.682 -8.931 3.011 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.197 -8.149 3.415 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.201 -9.068 1.314 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.693 -9.897 0.980 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.600 -11.956 1.607 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.517 -12.669 2.938 1.00 1.63 H new ATOM 271 N VAL A 18 -10.140 -5.585 0.342 1.00 0.51 N ATOM 272 CA VAL A 18 -11.161 -4.717 -0.148 1.00 0.59 C ATOM 273 C VAL A 18 -11.091 -4.578 -1.672 1.00 0.60 C ATOM 274 O VAL A 18 -10.056 -4.785 -2.278 1.00 1.04 O ATOM 275 CB VAL A 18 -10.975 -3.352 0.543 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.515 -2.940 0.417 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.916 -2.290 -0.003 1.00 1.24 C ATOM 0 H VAL A 18 -9.232 -5.456 -0.105 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.145 -5.128 0.079 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.235 -3.451 1.597 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -9.366 -1.975 0.901 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.883 -3.688 0.896 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.249 -2.862 -0.637 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.743 -1.348 0.518 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.732 -2.154 -1.069 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.948 -2.605 0.150 1.00 1.24 H new ATOM 287 N TRP A 19 -12.253 -4.327 -2.250 1.00 0.63 N ATOM 288 CA TRP A 19 -12.466 -4.239 -3.685 1.00 0.65 C ATOM 289 C TRP A 19 -11.480 -3.341 -4.437 1.00 0.68 C ATOM 290 O TRP A 19 -11.037 -2.338 -3.928 1.00 1.04 O ATOM 291 CB TRP A 19 -13.895 -3.722 -3.901 1.00 0.72 C ATOM 292 CG TRP A 19 -14.904 -4.389 -3.007 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.549 -5.571 -3.239 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.315 -3.945 -1.685 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.363 -5.858 -2.142 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.229 -4.877 -1.206 1.00 0.87 C ATOM 297 CE3 TRP A 19 -15.006 -2.825 -0.883 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.836 -4.761 0.046 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.602 -2.714 0.358 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.515 -3.661 0.815 1.00 0.96 C ATOM 0 H TRP A 19 -13.106 -4.173 -1.713 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.304 -5.236 -4.096 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.917 -2.647 -3.725 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.179 -3.880 -4.941 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.446 -6.182 -4.124 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.966 -6.676 -2.055 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.317 -2.070 -1.233 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.533 -5.506 0.400 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -15.354 -1.873 0.989 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.977 -3.533 1.783 1.00 0.96 H new ATOM 311 N GLU A 20 -11.198 -3.699 -5.673 1.00 0.69 N ATOM 312 CA GLU A 20 -10.316 -2.911 -6.523 1.00 0.77 C ATOM 313 C GLU A 20 -11.092 -1.864 -7.320 1.00 1.18 C ATOM 314 O GLU A 20 -10.688 -1.476 -8.399 1.00 1.81 O ATOM 315 CB GLU A 20 -9.556 -3.809 -7.510 1.00 1.04 C ATOM 316 CG GLU A 20 -8.484 -4.674 -6.867 1.00 1.26 C ATOM 317 CD GLU A 20 -8.102 -5.846 -7.777 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.598 -5.923 -8.922 1.00 2.62 O ATOM 319 OE2 GLU A 20 -7.309 -6.707 -7.346 1.00 2.42 O ATOM 0 H GLU A 20 -11.569 -4.538 -6.119 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.611 -2.409 -5.861 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -10.270 -4.455 -8.020 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.093 -3.182 -8.272 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.602 -4.069 -6.658 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.844 -5.054 -5.911 1.00 1.26 H new ATOM 326 N GLY A 21 -12.205 -1.468 -6.775 1.00 1.49 N ATOM 327 CA GLY A 21 -13.072 -0.507 -7.459 1.00 1.95 C ATOM 328 C GLY A 21 -14.091 -1.241 -8.286 1.00 2.05 C ATOM 329 O GLY A 21 -13.916 -1.390 -9.484 1.00 2.48 O ATOM 0 H GLY A 21 -12.546 -1.783 -5.867 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -13.572 0.129 -6.729 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -12.475 0.146 -8.096 1.00 1.95 H new ATOM 333 N ASP A 22 -15.166 -1.697 -7.632 1.00 2.34 N ATOM 334 CA ASP A 22 -16.259 -2.444 -8.270 1.00 2.75 C ATOM 335 C ASP A 22 -15.775 -3.803 -8.774 1.00 2.43 C ATOM 336 O ASP A 22 -16.435 -4.482 -9.576 1.00 2.85 O ATOM 337 CB ASP A 22 -16.921 -1.627 -9.390 1.00 3.62 C ATOM 338 CG ASP A 22 -17.723 -0.445 -8.858 1.00 4.19 C ATOM 339 OD1 ASP A 22 -17.685 -0.206 -7.640 1.00 4.60 O ATOM 340 OD2 ASP A 22 -18.395 0.225 -9.668 1.00 4.65 O ATOM 0 H ASP A 22 -15.304 -1.556 -6.631 1.00 2.34 H new ATOM 0 HA ASP A 22 -17.022 -2.627 -7.513 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -16.152 -1.262 -10.072 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -17.578 -2.276 -9.968 1.00 3.62 H new ATOM 345 N GLU A 23 -14.631 -4.197 -8.270 1.00 2.07 N ATOM 346 CA GLU A 23 -14.030 -5.478 -8.592 1.00 2.37 C ATOM 347 C GLU A 23 -14.080 -6.377 -7.363 1.00 1.70 C ATOM 348 O GLU A 23 -14.159 -5.877 -6.236 1.00 1.86 O ATOM 349 CB GLU A 23 -12.574 -5.302 -9.074 1.00 3.34 C ATOM 350 CG GLU A 23 -12.454 -4.714 -10.474 1.00 4.22 C ATOM 351 CD GLU A 23 -13.090 -5.608 -11.529 1.00 5.12 C ATOM 352 OE1 GLU A 23 -12.562 -6.713 -11.784 1.00 5.78 O ATOM 353 OE2 GLU A 23 -14.100 -5.197 -12.117 1.00 5.52 O ATOM 0 H GLU A 23 -14.082 -3.636 -7.618 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.592 -5.939 -9.404 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -12.045 -4.656 -8.373 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -12.075 -6.271 -9.054 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -12.929 -3.733 -10.496 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -11.401 -4.563 -10.714 1.00 4.22 H new ATOM 360 N PRO A 24 -14.103 -7.708 -7.566 1.00 1.42 N ATOM 361 CA PRO A 24 -14.208 -8.695 -6.479 1.00 1.17 C ATOM 362 C PRO A 24 -13.221 -8.452 -5.337 1.00 0.97 C ATOM 363 O PRO A 24 -12.062 -8.059 -5.555 1.00 1.08 O ATOM 364 CB PRO A 24 -13.904 -10.012 -7.170 1.00 1.65 C ATOM 365 CG PRO A 24 -14.344 -9.805 -8.581 1.00 2.09 C ATOM 366 CD PRO A 24 -14.058 -8.354 -8.891 1.00 2.00 C ATOM 0 HA PRO A 24 -15.187 -8.654 -6.002 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -12.842 -10.252 -7.117 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -14.441 -10.838 -6.704 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -13.803 -10.464 -9.260 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.405 -10.028 -8.697 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.085 -8.229 -9.367 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -14.801 -7.934 -9.569 1.00 2.00 H new ATOM 374 N PRO A 25 -13.656 -8.677 -4.099 1.00 0.88 N ATOM 375 CA PRO A 25 -12.819 -8.481 -2.927 1.00 0.77 C ATOM 376 C PRO A 25 -11.705 -9.542 -2.857 1.00 0.74 C ATOM 377 O PRO A 25 -11.889 -10.666 -3.320 1.00 0.92 O ATOM 378 CB PRO A 25 -13.785 -8.610 -1.764 1.00 0.92 C ATOM 379 CG PRO A 25 -14.899 -9.422 -2.280 1.00 1.08 C ATOM 380 CD PRO A 25 -15.013 -9.143 -3.744 1.00 1.09 C ATOM 0 HA PRO A 25 -12.302 -7.521 -2.933 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.310 -9.090 -0.908 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.132 -7.632 -1.429 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.715 -10.482 -2.104 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.827 -9.170 -1.768 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.293 -10.035 -4.304 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.768 -8.385 -3.953 1.00 1.09 H new ATOM 388 N LYS A 26 -10.544 -9.147 -2.343 1.00 0.65 N ATOM 389 CA LYS A 26 -9.389 -10.041 -2.255 1.00 0.73 C ATOM 390 C LYS A 26 -8.391 -9.532 -1.226 1.00 0.66 C ATOM 391 O LYS A 26 -8.285 -8.344 -1.007 1.00 0.88 O ATOM 392 CB LYS A 26 -8.751 -10.074 -3.659 1.00 0.95 C ATOM 393 CG LYS A 26 -7.393 -10.753 -3.763 1.00 1.34 C ATOM 394 CD LYS A 26 -7.003 -10.900 -5.223 1.00 1.42 C ATOM 395 CE LYS A 26 -7.145 -9.576 -5.966 1.00 1.61 C ATOM 396 NZ LYS A 26 -6.904 -9.674 -7.426 1.00 2.20 N ATOM 0 H LYS A 26 -10.376 -8.209 -1.979 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.692 -11.039 -1.938 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.439 -10.579 -4.337 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.649 -9.048 -4.014 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -6.642 -10.167 -3.233 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -7.428 -11.732 -3.286 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -5.974 -11.252 -5.294 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.631 -11.655 -5.696 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.148 -9.184 -5.799 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -6.446 -8.856 -5.540 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -6.817 -8.719 -7.828 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -6.026 -10.204 -7.598 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.700 -10.168 -7.877 1.00 2.20 H new ATOM 410 N LEU A 27 -7.655 -10.441 -0.625 1.00 0.67 N ATOM 411 CA LEU A 27 -6.653 -10.082 0.341 1.00 0.65 C ATOM 412 C LEU A 27 -5.393 -9.612 -0.373 1.00 0.67 C ATOM 413 O LEU A 27 -4.900 -10.271 -1.292 1.00 1.02 O ATOM 414 CB LEU A 27 -6.372 -11.283 1.252 1.00 0.76 C ATOM 415 CG LEU A 27 -5.659 -10.961 2.566 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.814 -12.132 3.529 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.153 -10.728 2.325 1.00 1.31 C ATOM 0 H LEU A 27 -7.737 -11.443 -0.794 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.009 -9.260 0.962 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.319 -11.771 1.483 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.769 -12.003 0.699 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.104 -10.058 2.984 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.306 -11.903 4.466 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -6.872 -12.306 3.723 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.375 -13.027 3.088 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -3.664 -10.500 3.272 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -3.710 -11.626 1.895 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.019 -9.893 1.638 1.00 1.31 H new ATOM 429 N ARG A 28 -4.910 -8.447 0.039 1.00 0.57 N ATOM 430 CA ARG A 28 -3.716 -7.854 -0.566 1.00 0.59 C ATOM 431 C ARG A 28 -2.782 -7.312 0.521 1.00 0.55 C ATOM 432 O ARG A 28 -3.213 -6.581 1.415 1.00 0.64 O ATOM 433 CB ARG A 28 -4.106 -6.716 -1.532 1.00 0.71 C ATOM 434 CG ARG A 28 -4.999 -7.171 -2.672 1.00 1.41 C ATOM 435 CD ARG A 28 -5.393 -5.999 -3.567 1.00 1.72 C ATOM 436 NE ARG A 28 -6.467 -6.366 -4.485 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.710 -6.640 -4.077 1.00 2.42 C ATOM 438 NH1 ARG A 28 -8.066 -6.408 -2.826 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.622 -7.020 -4.955 1.00 3.18 N ATOM 0 H ARG A 28 -5.323 -7.892 0.788 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.197 -8.631 -1.128 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.616 -5.933 -0.971 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.199 -6.274 -1.945 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.481 -7.926 -3.264 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.896 -7.642 -2.269 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.711 -5.159 -2.950 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -4.525 -5.666 -4.135 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.260 -6.416 -5.482 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.391 -6.018 -2.168 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -9.016 -6.618 -2.519 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.377 -7.104 -5.941 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -9.571 -7.230 -4.646 1.00 3.18 H new ATOM 453 N TYR A 29 -1.512 -7.648 0.428 1.00 0.55 N ATOM 454 CA TYR A 29 -0.513 -7.180 1.375 1.00 0.59 C ATOM 455 C TYR A 29 0.077 -5.851 0.882 1.00 0.55 C ATOM 456 O TYR A 29 0.912 -5.828 -0.019 1.00 0.70 O ATOM 457 CB TYR A 29 0.613 -8.223 1.520 1.00 0.71 C ATOM 458 CG TYR A 29 0.182 -9.570 2.081 1.00 0.77 C ATOM 459 CD1 TYR A 29 -0.546 -9.668 3.272 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.530 -10.742 1.426 1.00 1.46 C ATOM 461 CE1 TYR A 29 -0.912 -10.905 3.782 1.00 1.55 C ATOM 462 CE2 TYR A 29 0.169 -11.960 1.914 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.551 -12.049 3.090 1.00 1.26 C ATOM 464 OH TYR A 29 -0.908 -13.299 3.593 1.00 1.58 O ATOM 0 H TYR A 29 -1.140 -8.253 -0.305 1.00 0.55 H new ATOM 0 HA TYR A 29 -0.986 -7.033 2.346 1.00 0.59 H new ATOM 0 HB2 TYR A 29 1.066 -8.383 0.542 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.388 -7.810 2.166 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -0.826 -8.769 3.801 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.099 -10.687 0.510 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -1.470 -10.975 4.704 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.446 -12.858 1.382 1.00 1.63 H new ATOM 0 HH TYR A 29 -0.581 -14.000 2.990 1.00 1.58 H new ATOM 474 N VAL A 30 -0.405 -4.748 1.465 1.00 0.48 N ATOM 475 CA VAL A 30 0.052 -3.426 1.100 1.00 0.48 C ATOM 476 C VAL A 30 1.485 -3.177 1.624 1.00 0.49 C ATOM 477 O VAL A 30 1.703 -2.904 2.819 1.00 0.59 O ATOM 478 CB VAL A 30 -0.926 -2.360 1.622 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.382 -0.949 1.330 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.298 -2.527 0.983 1.00 0.65 C ATOM 0 H VAL A 30 -1.117 -4.758 2.196 1.00 0.48 H new ATOM 0 HA VAL A 30 0.081 -3.356 0.013 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.026 -2.489 2.700 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.084 -0.204 1.705 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.581 -0.821 1.824 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.258 -0.822 0.255 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -2.974 -1.763 1.367 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.211 -2.424 -0.099 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.693 -3.514 1.223 1.00 0.65 H new ATOM 490 N PHE A 31 2.450 -3.290 0.724 1.00 0.49 N ATOM 491 CA PHE A 31 3.844 -3.077 1.068 1.00 0.54 C ATOM 492 C PHE A 31 4.263 -1.686 0.627 1.00 0.52 C ATOM 493 O PHE A 31 4.287 -1.393 -0.568 1.00 0.56 O ATOM 494 CB PHE A 31 4.762 -4.124 0.417 1.00 0.61 C ATOM 495 CG PHE A 31 4.541 -5.548 0.850 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.712 -5.825 1.902 1.00 1.44 C ATOM 497 CD2 PHE A 31 5.172 -6.590 0.186 1.00 1.22 C ATOM 498 CE1 PHE A 31 3.498 -7.138 2.295 1.00 1.49 C ATOM 499 CE2 PHE A 31 4.981 -7.912 0.572 1.00 1.30 C ATOM 500 CZ PHE A 31 4.136 -8.180 1.624 1.00 0.85 C ATOM 0 H PHE A 31 2.290 -3.529 -0.255 1.00 0.49 H new ATOM 0 HA PHE A 31 3.943 -3.177 2.149 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.635 -4.069 -0.664 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.797 -3.856 0.631 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.222 -5.019 2.428 1.00 1.44 H new ATOM 0 HD2 PHE A 31 5.824 -6.370 -0.646 1.00 1.22 H new ATOM 0 HE1 PHE A 31 2.837 -7.353 3.121 1.00 1.49 H new ATOM 0 HE2 PHE A 31 5.487 -8.714 0.055 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.966 -9.201 1.931 1.00 0.85 H new ATOM 510 N LEU A 32 4.608 -0.822 1.589 1.00 0.57 N ATOM 511 CA LEU A 32 5.027 0.549 1.281 1.00 0.59 C ATOM 512 C LEU A 32 6.436 0.787 1.759 1.00 0.67 C ATOM 513 O LEU A 32 6.799 0.481 2.897 1.00 0.84 O ATOM 514 CB LEU A 32 4.063 1.539 1.945 1.00 0.74 C ATOM 515 CG LEU A 32 4.610 2.905 2.347 1.00 0.98 C ATOM 516 CD1 LEU A 32 5.230 3.621 1.144 1.00 1.43 C ATOM 517 CD2 LEU A 32 3.505 3.770 2.958 1.00 1.10 C ATOM 0 H LEU A 32 4.605 -1.048 2.584 1.00 0.57 H new ATOM 0 HA LEU A 32 5.004 0.697 0.201 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.227 1.700 1.264 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.659 1.064 2.839 1.00 0.74 H new ATOM 0 HG LEU A 32 5.387 2.747 3.095 1.00 0.98 H new ATOM 0 HD11 LEU A 32 5.613 4.593 1.456 1.00 1.43 H new ATOM 0 HD12 LEU A 32 6.047 3.020 0.745 1.00 1.43 H new ATOM 0 HD13 LEU A 32 4.472 3.760 0.373 1.00 1.43 H new ATOM 0 HD21 LEU A 32 3.915 4.740 3.238 1.00 1.10 H new ATOM 0 HD22 LEU A 32 2.707 3.910 2.228 1.00 1.10 H new ATOM 0 HD23 LEU A 32 3.104 3.276 3.843 1.00 1.10 H new ATOM 529 N PHE A 33 7.229 1.283 0.842 1.00 0.75 N ATOM 530 CA PHE A 33 8.646 1.543 1.112 1.00 0.96 C ATOM 531 C PHE A 33 9.113 2.825 0.412 1.00 1.08 C ATOM 532 O PHE A 33 8.296 3.595 -0.112 1.00 1.56 O ATOM 533 CB PHE A 33 9.485 0.366 0.625 1.00 1.17 C ATOM 534 CG PHE A 33 9.135 -0.967 1.231 1.00 1.36 C ATOM 535 CD1 PHE A 33 9.245 -1.171 2.600 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.678 -1.990 0.446 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.891 -2.389 3.176 1.00 2.06 C ATOM 538 CE2 PHE A 33 8.342 -3.211 0.997 1.00 2.28 C ATOM 539 CZ PHE A 33 8.444 -3.410 2.367 1.00 2.01 C ATOM 0 H PHE A 33 6.929 1.520 -0.104 1.00 0.75 H new ATOM 0 HA PHE A 33 8.772 1.670 2.187 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.384 0.292 -0.458 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.534 0.577 0.834 1.00 1.17 H new ATOM 0 HD1 PHE A 33 9.611 -0.373 3.228 1.00 1.79 H new ATOM 0 HD2 PHE A 33 8.579 -1.841 -0.619 1.00 2.01 H new ATOM 0 HE1 PHE A 33 8.966 -2.531 4.244 1.00 2.06 H new ATOM 0 HE2 PHE A 33 7.999 -4.013 0.360 1.00 2.28 H new ATOM 0 HZ PHE A 33 8.174 -4.363 2.797 1.00 2.01 H new ATOM 549 N ARG A 34 10.430 3.030 0.385 1.00 1.04 N ATOM 550 CA ARG A 34 11.016 4.208 -0.247 1.00 1.17 C ATOM 551 C ARG A 34 11.168 3.991 -1.737 1.00 1.03 C ATOM 552 O ARG A 34 12.290 3.990 -2.260 1.00 1.87 O ATOM 553 CB ARG A 34 12.367 4.530 0.398 1.00 1.83 C ATOM 554 CG ARG A 34 12.233 4.977 1.852 1.00 2.51 C ATOM 555 CD ARG A 34 11.735 6.420 1.968 1.00 3.05 C ATOM 556 NE ARG A 34 12.734 7.398 1.553 1.00 3.66 N ATOM 557 CZ ARG A 34 12.503 8.710 1.546 1.00 4.29 C ATOM 558 NH1 ARG A 34 11.255 9.136 1.650 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.460 9.556 1.169 1.00 5.12 N ATOM 0 H ARG A 34 11.112 2.392 0.796 1.00 1.04 H new ATOM 0 HA ARG A 34 10.349 5.057 -0.097 1.00 1.17 H new ATOM 0 HB2 ARG A 34 13.007 3.649 0.350 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.861 5.314 -0.175 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.543 4.313 2.373 1.00 2.51 H new ATOM 0 HG3 ARG A 34 13.199 4.886 2.349 1.00 2.51 H new ATOM 0 HD2 ARG A 34 10.840 6.541 1.358 1.00 3.05 H new ATOM 0 HD3 ARG A 34 11.446 6.618 3.000 1.00 3.05 H new ATOM 0 HE ARG A 34 13.650 7.063 1.255 1.00 3.66 H new ATOM 0 HH11 ARG A 34 10.492 8.464 1.733 1.00 4.48 H new ATOM 0 HH12 ARG A 34 11.056 10.136 1.647 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.373 9.200 0.885 1.00 5.12 H new ATOM 0 HH22 ARG A 34 13.280 10.560 1.165 1.00 5.12 H new ATOM 573 N ASN A 35 10.049 3.793 -2.412 1.00 0.98 N ATOM 574 CA ASN A 35 10.045 3.571 -3.854 1.00 1.38 C ATOM 575 C ASN A 35 8.626 3.737 -4.374 1.00 1.09 C ATOM 576 O ASN A 35 8.336 4.646 -5.145 1.00 1.24 O ATOM 577 CB ASN A 35 10.556 2.176 -4.183 1.00 2.08 C ATOM 578 CG ASN A 35 10.651 1.930 -5.673 1.00 2.84 C ATOM 579 OD1 ASN A 35 9.852 0.984 -6.160 1.00 3.26 O flip ATOM 580 ND2 ASN A 35 11.430 2.579 -6.380 1.00 3.64 N flip ATOM 0 H ASN A 35 9.123 3.781 -1.984 1.00 0.98 H new ATOM 0 HA ASN A 35 10.704 4.297 -4.330 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.538 2.037 -3.732 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.892 1.435 -3.737 1.00 2.08 H new ATOM 0 HD21 ASN A 35 12.023 3.295 -5.961 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.479 2.399 -7.383 1.00 3.64 H new ATOM 587 N LYS A 36 7.732 2.863 -3.896 1.00 0.89 N ATOM 588 CA LYS A 36 6.321 2.894 -4.251 1.00 0.69 C ATOM 589 C LYS A 36 5.562 1.946 -3.332 1.00 0.66 C ATOM 590 O LYS A 36 6.130 1.322 -2.430 1.00 0.77 O ATOM 591 CB LYS A 36 6.098 2.485 -5.702 1.00 0.80 C ATOM 592 CG LYS A 36 6.426 1.020 -5.983 1.00 1.05 C ATOM 593 CD LYS A 36 5.906 0.620 -7.342 1.00 1.32 C ATOM 594 CE LYS A 36 6.623 -0.616 -7.866 1.00 1.84 C ATOM 595 NZ LYS A 36 6.176 -0.977 -9.253 1.00 2.23 N ATOM 0 H LYS A 36 7.976 2.113 -3.249 1.00 0.89 H new ATOM 0 HA LYS A 36 5.957 3.915 -4.134 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.058 2.673 -5.968 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.710 3.116 -6.346 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.504 0.866 -5.939 1.00 1.05 H new ATOM 0 HG3 LYS A 36 5.982 0.387 -5.215 1.00 1.05 H new ATOM 0 HD2 LYS A 36 4.836 0.424 -7.281 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.039 1.445 -8.042 1.00 1.32 H new ATOM 0 HE2 LYS A 36 7.699 -0.439 -7.866 1.00 1.84 H new ATOM 0 HE3 LYS A 36 6.438 -1.455 -7.195 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 6.801 -1.714 -9.638 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 5.199 -1.333 -9.221 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 6.218 -0.135 -9.861 1.00 2.23 H new ATOM 609 N ILE A 37 4.269 1.862 -3.577 1.00 0.61 N ATOM 610 CA ILE A 37 3.400 1.017 -2.767 1.00 0.60 C ATOM 611 C ILE A 37 3.047 -0.247 -3.532 1.00 0.54 C ATOM 612 O ILE A 37 2.005 -0.335 -4.179 1.00 0.75 O ATOM 613 CB ILE A 37 2.113 1.767 -2.371 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.480 3.115 -1.737 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.306 0.917 -1.399 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.272 3.962 -1.362 1.00 1.01 C ATOM 0 H ILE A 37 3.794 2.365 -4.327 1.00 0.61 H new ATOM 0 HA ILE A 37 3.935 0.751 -1.856 1.00 0.60 H new ATOM 0 HB ILE A 37 1.506 1.952 -3.257 1.00 0.73 H new ATOM 0 HG12 ILE A 37 3.079 2.936 -0.844 1.00 0.85 H new ATOM 0 HG13 ILE A 37 3.105 3.676 -2.432 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.396 1.448 -1.120 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.043 -0.028 -1.874 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.900 0.721 -0.507 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.608 4.900 -0.920 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.684 4.173 -2.255 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.658 3.421 -0.642 1.00 1.01 H new ATOM 628 N MET A 38 3.917 -1.237 -3.454 1.00 0.51 N ATOM 629 CA MET A 38 3.700 -2.507 -4.129 1.00 0.59 C ATOM 630 C MET A 38 2.872 -3.421 -3.248 1.00 0.60 C ATOM 631 O MET A 38 3.374 -3.964 -2.254 1.00 0.98 O ATOM 632 CB MET A 38 5.012 -3.195 -4.441 1.00 0.75 C ATOM 633 CG MET A 38 4.878 -4.474 -5.269 1.00 1.40 C ATOM 634 SD MET A 38 6.485 -5.152 -5.720 1.00 1.72 S ATOM 635 CE MET A 38 6.026 -6.656 -6.563 1.00 2.53 C ATOM 0 H MET A 38 4.788 -1.186 -2.926 1.00 0.51 H new ATOM 0 HA MET A 38 3.177 -2.302 -5.063 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.655 -2.497 -4.976 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.513 -3.435 -3.503 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.317 -5.217 -4.702 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.306 -4.264 -6.173 1.00 1.40 H new ATOM 0 HE1 MET A 38 6.925 -7.175 -6.896 1.00 2.53 H new ATOM 0 HE2 MET A 38 5.466 -7.298 -5.883 1.00 2.53 H new ATOM 0 HE3 MET A 38 5.406 -6.414 -7.426 1.00 2.53 H new ATOM 645 N PHE A 39 1.609 -3.619 -3.597 1.00 0.61 N ATOM 646 CA PHE A 39 0.745 -4.471 -2.812 1.00 0.71 C ATOM 647 C PHE A 39 0.487 -5.780 -3.524 1.00 0.72 C ATOM 648 O PHE A 39 -0.210 -5.830 -4.530 1.00 1.08 O ATOM 649 CB PHE A 39 -0.565 -3.774 -2.396 1.00 1.11 C ATOM 650 CG PHE A 39 -1.404 -3.227 -3.535 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.940 -2.209 -4.337 1.00 1.32 C ATOM 652 CD2 PHE A 39 -2.654 -3.730 -3.780 1.00 1.31 C ATOM 653 CE1 PHE A 39 -1.705 -1.695 -5.365 1.00 1.66 C ATOM 654 CE2 PHE A 39 -3.429 -3.236 -4.808 1.00 1.69 C ATOM 655 CZ PHE A 39 -2.956 -2.216 -5.608 1.00 1.57 C ATOM 0 H PHE A 39 1.167 -3.201 -4.416 1.00 0.61 H new ATOM 0 HA PHE A 39 1.272 -4.691 -1.884 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.170 -4.483 -1.831 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.321 -2.954 -1.721 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.045 -1.803 -4.158 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -3.038 -4.525 -3.159 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -1.324 -0.889 -5.975 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -4.410 -3.649 -4.988 1.00 1.69 H new ATOM 0 HZ PHE A 39 -3.560 -1.831 -6.416 1.00 1.57 H new ATOM 665 N THR A 40 1.044 -6.847 -2.972 1.00 0.63 N ATOM 666 CA THR A 40 0.860 -8.175 -3.530 1.00 0.74 C ATOM 667 C THR A 40 -0.493 -8.696 -3.083 1.00 0.84 C ATOM 668 O THR A 40 -0.997 -8.292 -2.037 1.00 1.16 O ATOM 669 CB THR A 40 2.024 -9.083 -3.067 1.00 0.98 C ATOM 670 OG1 THR A 40 2.183 -9.023 -1.657 1.00 1.45 O ATOM 671 CG2 THR A 40 3.345 -8.704 -3.682 1.00 1.35 C ATOM 0 H THR A 40 1.628 -6.817 -2.136 1.00 0.63 H new ATOM 0 HA THR A 40 0.874 -8.157 -4.620 1.00 0.74 H new ATOM 0 HB THR A 40 1.754 -10.088 -3.392 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.923 -9.606 -1.386 1.00 1.45 H new ATOM 0 HG21 THR A 40 4.122 -9.377 -3.319 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.277 -8.781 -4.767 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.594 -7.679 -3.406 1.00 1.35 H new ATOM 679 N GLU A 41 -1.107 -9.558 -3.865 1.00 1.04 N ATOM 680 CA GLU A 41 -2.416 -10.082 -3.519 1.00 1.27 C ATOM 681 C GLU A 41 -2.422 -11.594 -3.370 1.00 1.20 C ATOM 682 O GLU A 41 -1.440 -12.263 -3.671 1.00 1.66 O ATOM 683 CB GLU A 41 -3.422 -9.690 -4.593 1.00 1.89 C ATOM 684 CG GLU A 41 -2.786 -9.363 -5.943 1.00 2.55 C ATOM 685 CD GLU A 41 -3.813 -9.260 -7.046 1.00 3.05 C ATOM 686 OE1 GLU A 41 -4.421 -10.293 -7.411 1.00 3.56 O ATOM 687 OE2 GLU A 41 -4.021 -8.138 -7.546 1.00 3.46 O ATOM 0 H GLU A 41 -0.725 -9.911 -4.742 1.00 1.04 H new ATOM 0 HA GLU A 41 -2.686 -9.652 -2.555 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.134 -10.504 -4.725 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.988 -8.824 -4.249 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -2.240 -8.422 -5.868 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.059 -10.134 -6.197 1.00 2.55 H new ATOM 694 N GLN A 42 -3.545 -12.124 -2.911 1.00 1.08 N ATOM 695 CA GLN A 42 -3.727 -13.558 -2.707 1.00 1.24 C ATOM 696 C GLN A 42 -5.160 -13.835 -2.321 1.00 1.37 C ATOM 697 O GLN A 42 -5.612 -13.364 -1.290 1.00 1.84 O ATOM 698 CB GLN A 42 -2.827 -14.093 -1.605 1.00 1.58 C ATOM 699 CG GLN A 42 -3.072 -15.581 -1.341 1.00 2.34 C ATOM 700 CD GLN A 42 -2.261 -16.094 -0.178 1.00 2.87 C ATOM 701 OE1 GLN A 42 -2.221 -15.466 0.880 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.626 -17.251 -0.359 1.00 3.46 N ATOM 0 H GLN A 42 -4.365 -11.568 -2.667 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.469 -14.055 -3.642 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.784 -13.940 -1.882 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.000 -13.528 -0.689 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -4.131 -15.743 -1.143 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.824 -16.153 -2.235 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -1.690 -17.733 -1.255 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -1.075 -17.655 0.399 1.00 3.46 H new ATOM 711 N ASP A 43 -5.882 -14.583 -3.133 1.00 1.32 N ATOM 712 CA ASP A 43 -7.277 -14.910 -2.828 1.00 1.60 C ATOM 713 C ASP A 43 -7.559 -16.365 -3.182 1.00 1.62 C ATOM 714 O ASP A 43 -7.773 -16.704 -4.332 1.00 1.97 O ATOM 715 CB ASP A 43 -8.239 -13.990 -3.575 1.00 2.08 C ATOM 716 CG ASP A 43 -9.688 -14.312 -3.265 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.109 -14.173 -2.088 1.00 2.96 O ATOM 718 OD2 ASP A 43 -10.405 -14.745 -4.191 1.00 2.87 O ATOM 0 H ASP A 43 -5.535 -14.978 -4.007 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.434 -14.762 -1.760 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -8.032 -12.954 -3.306 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -8.069 -14.081 -4.648 1.00 2.08 H new ATOM 723 N ALA A 44 -7.556 -17.218 -2.172 1.00 1.87 N ATOM 724 CA ALA A 44 -7.809 -18.655 -2.343 1.00 2.28 C ATOM 725 C ALA A 44 -6.925 -19.218 -3.457 1.00 2.75 C ATOM 726 O ALA A 44 -5.759 -18.867 -3.536 1.00 3.39 O ATOM 727 CB ALA A 44 -9.286 -18.903 -2.614 1.00 2.82 C ATOM 0 H ALA A 44 -7.379 -16.942 -1.206 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.552 -19.177 -1.421 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -9.459 -19.972 -2.739 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.877 -18.535 -1.775 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -9.582 -18.379 -3.523 1.00 2.82 H new ATOM 861 N TYR A 54 0.139 -8.557 -9.674 1.00 2.10 N ATOM 862 CA TYR A 54 1.268 -8.187 -8.798 1.00 2.00 C ATOM 863 C TYR A 54 1.303 -6.669 -8.754 1.00 1.62 C ATOM 864 O TYR A 54 2.281 -6.031 -9.106 1.00 1.96 O ATOM 865 CB TYR A 54 2.617 -8.791 -9.249 1.00 2.78 C ATOM 866 CG TYR A 54 2.763 -10.294 -9.060 1.00 3.45 C ATOM 867 CD1 TYR A 54 1.913 -11.172 -9.693 1.00 3.89 C ATOM 868 CD2 TYR A 54 3.729 -10.806 -8.220 1.00 4.24 C ATOM 869 CE1 TYR A 54 2.040 -12.531 -9.511 1.00 4.87 C ATOM 870 CE2 TYR A 54 3.879 -12.162 -8.040 1.00 5.15 C ATOM 871 CZ TYR A 54 3.035 -13.015 -8.703 1.00 5.40 C ATOM 872 OH TYR A 54 3.169 -14.364 -8.537 1.00 6.50 O ATOM 0 HA TYR A 54 1.115 -8.603 -7.802 1.00 2.00 H new ATOM 0 HB2 TYR A 54 2.763 -8.560 -10.304 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.418 -8.295 -8.701 1.00 2.78 H new ATOM 0 HD1 TYR A 54 1.137 -10.791 -10.340 1.00 3.89 H new ATOM 0 HD2 TYR A 54 4.383 -10.128 -7.692 1.00 4.24 H new ATOM 0 HE1 TYR A 54 1.360 -13.211 -10.002 1.00 4.87 H new ATOM 0 HE2 TYR A 54 4.648 -12.548 -7.388 1.00 5.15 H new ATOM 0 HH TYR A 54 3.921 -14.547 -7.936 1.00 6.50 H new ATOM 882 N SER A 55 0.155 -6.135 -8.392 1.00 1.34 N ATOM 883 CA SER A 55 -0.136 -4.693 -8.349 1.00 1.50 C ATOM 884 C SER A 55 0.856 -3.873 -7.511 1.00 1.20 C ATOM 885 O SER A 55 1.494 -4.370 -6.568 1.00 1.33 O ATOM 886 CB SER A 55 -1.552 -4.506 -7.805 1.00 2.13 C ATOM 887 OG SER A 55 -1.864 -5.504 -6.834 1.00 2.61 O ATOM 0 H SER A 55 -0.641 -6.705 -8.106 1.00 1.34 H new ATOM 0 HA SER A 55 -0.039 -4.315 -9.367 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.645 -3.517 -7.357 1.00 2.13 H new ATOM 0 HB3 SER A 55 -2.269 -4.554 -8.624 1.00 2.13 H new ATOM 0 HG SER A 55 -1.207 -5.470 -6.107 1.00 2.61 H new ATOM 893 N SER A 56 0.978 -2.606 -7.889 1.00 1.07 N ATOM 894 CA SER A 56 1.832 -1.653 -7.213 1.00 0.91 C ATOM 895 C SER A 56 1.336 -0.221 -7.501 1.00 0.80 C ATOM 896 O SER A 56 0.700 0.035 -8.525 1.00 0.93 O ATOM 897 CB SER A 56 3.290 -1.843 -7.649 1.00 1.09 C ATOM 898 OG SER A 56 3.414 -1.919 -9.056 1.00 1.73 O ATOM 0 H SER A 56 0.477 -2.212 -8.685 1.00 1.07 H new ATOM 0 HA SER A 56 1.787 -1.820 -6.137 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.892 -1.014 -7.276 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.688 -2.753 -7.200 1.00 1.09 H new ATOM 0 HG SER A 56 2.622 -1.524 -9.476 1.00 1.73 H new ATOM 904 N ILE A 57 1.572 0.677 -6.561 1.00 0.68 N ATOM 905 CA ILE A 57 1.119 2.041 -6.700 1.00 0.67 C ATOM 906 C ILE A 57 2.269 3.050 -6.596 1.00 0.63 C ATOM 907 O ILE A 57 2.921 3.188 -5.563 1.00 0.81 O ATOM 908 CB ILE A 57 0.017 2.380 -5.661 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.318 1.694 -6.032 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.189 3.886 -5.534 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.022 2.286 -7.234 1.00 0.81 C ATOM 0 H ILE A 57 2.075 0.482 -5.695 1.00 0.68 H new ATOM 0 HA ILE A 57 0.694 2.123 -7.701 1.00 0.67 H new ATOM 0 HB ILE A 57 0.354 2.000 -4.696 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.127 0.638 -6.224 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.988 1.746 -5.174 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.968 4.086 -4.798 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.742 4.355 -5.214 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.488 4.295 -6.499 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.948 1.741 -7.418 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.250 3.334 -7.042 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.376 2.209 -8.108 1.00 0.81 H new ATOM 923 N ARG A 58 2.511 3.741 -7.699 1.00 0.66 N ATOM 924 CA ARG A 58 3.547 4.746 -7.775 1.00 0.73 C ATOM 925 C ARG A 58 3.148 5.947 -6.920 1.00 0.75 C ATOM 926 O ARG A 58 1.978 6.318 -6.879 1.00 0.91 O ATOM 927 CB ARG A 58 3.694 5.195 -9.224 1.00 0.96 C ATOM 928 CG ARG A 58 2.446 5.916 -9.740 1.00 1.24 C ATOM 929 CD ARG A 58 2.526 6.209 -11.227 1.00 1.86 C ATOM 930 NE ARG A 58 3.677 7.035 -11.574 1.00 2.47 N ATOM 931 CZ ARG A 58 4.051 7.321 -12.808 1.00 2.95 C ATOM 932 NH1 ARG A 58 3.585 6.637 -13.839 1.00 3.22 N ATOM 933 NH2 ARG A 58 5.055 8.169 -12.977 1.00 3.70 N ATOM 0 H ARG A 58 1.990 3.616 -8.567 1.00 0.66 H new ATOM 0 HA ARG A 58 4.489 4.334 -7.413 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.555 5.857 -9.311 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.895 4.327 -9.852 1.00 0.96 H new ATOM 0 HG2 ARG A 58 1.566 5.305 -9.539 1.00 1.24 H new ATOM 0 HG3 ARG A 58 2.317 6.850 -9.194 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.579 5.269 -11.777 1.00 1.86 H new ATOM 0 HD3 ARG A 58 1.613 6.713 -11.544 1.00 1.86 H new ATOM 0 HE ARG A 58 4.232 7.419 -10.809 1.00 2.47 H new ATOM 0 HH11 ARG A 58 2.925 5.874 -13.688 1.00 3.22 H new ATOM 0 HH12 ARG A 58 3.885 6.872 -14.785 1.00 3.22 H new ATOM 0 HH21 ARG A 58 5.516 8.581 -12.166 1.00 3.70 H new ATOM 0 HH22 ARG A 58 5.367 8.409 -13.918 1.00 3.70 H new ATOM 947 N LEU A 59 4.103 6.557 -6.248 1.00 0.85 N ATOM 948 CA LEU A 59 3.801 7.731 -5.419 1.00 1.02 C ATOM 949 C LEU A 59 3.829 8.983 -6.278 1.00 1.15 C ATOM 950 O LEU A 59 3.173 9.972 -5.962 1.00 1.59 O ATOM 951 CB LEU A 59 4.780 7.862 -4.264 1.00 1.28 C ATOM 952 CG LEU A 59 4.352 7.150 -2.981 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.847 7.055 -2.883 1.00 1.79 C ATOM 954 CD2 LEU A 59 4.981 5.775 -2.930 1.00 1.35 C ATOM 0 H LEU A 59 5.083 6.274 -6.251 1.00 0.85 H new ATOM 0 HA LEU A 59 2.805 7.603 -4.994 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.746 7.467 -4.578 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.924 8.920 -4.046 1.00 1.28 H new ATOM 0 HG LEU A 59 4.698 7.733 -2.127 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.574 6.544 -1.960 1.00 1.79 H new ATOM 0 HD12 LEU A 59 2.418 8.057 -2.883 1.00 1.79 H new ATOM 0 HD13 LEU A 59 2.461 6.495 -3.735 1.00 1.79 H new ATOM 0 HD21 LEU A 59 4.675 5.269 -2.015 1.00 1.35 H new ATOM 0 HD22 LEU A 59 4.655 5.194 -3.793 1.00 1.35 H new ATOM 0 HD23 LEU A 59 6.067 5.871 -2.946 1.00 1.35 H new ATOM 966 N ASP A 60 4.624 8.892 -7.362 1.00 1.13 N ATOM 967 CA ASP A 60 4.857 9.972 -8.327 1.00 1.33 C ATOM 968 C ASP A 60 3.717 10.962 -8.445 1.00 1.33 C ATOM 969 O ASP A 60 3.817 12.055 -7.906 1.00 1.56 O ATOM 970 CB ASP A 60 5.192 9.390 -9.718 1.00 1.46 C ATOM 971 CG ASP A 60 5.473 10.489 -10.740 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.327 11.353 -10.477 1.00 2.52 O ATOM 973 OD2 ASP A 60 4.842 10.477 -11.819 1.00 2.27 O ATOM 0 H ASP A 60 5.134 8.039 -7.592 1.00 1.13 H new ATOM 0 HA ASP A 60 5.706 10.533 -7.935 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.061 8.737 -9.639 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.361 8.775 -10.064 1.00 1.46 H new ATOM 978 N LYS A 61 2.661 10.580 -9.144 1.00 1.22 N ATOM 979 CA LYS A 61 1.536 11.474 -9.337 1.00 1.28 C ATOM 980 C LYS A 61 0.179 10.789 -9.421 1.00 1.06 C ATOM 981 O LYS A 61 -0.233 10.329 -10.481 1.00 1.27 O ATOM 982 CB LYS A 61 1.751 12.334 -10.565 1.00 1.60 C ATOM 983 CG LYS A 61 2.188 13.760 -10.238 1.00 1.93 C ATOM 984 CD LYS A 61 2.501 14.544 -11.501 1.00 2.55 C ATOM 985 CE LYS A 61 2.906 15.972 -11.177 1.00 3.16 C ATOM 986 NZ LYS A 61 3.984 16.014 -10.151 1.00 3.92 N ATOM 0 H LYS A 61 2.561 9.665 -9.583 1.00 1.22 H new ATOM 0 HA LYS A 61 1.503 12.087 -8.436 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.505 11.867 -11.199 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.827 12.368 -11.142 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.400 14.265 -9.680 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.068 13.735 -9.595 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.304 14.051 -12.048 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.628 14.550 -12.154 1.00 2.55 H new ATOM 0 HE2 LYS A 61 3.247 16.470 -12.085 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.038 16.525 -10.817 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 4.400 16.967 -10.124 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.585 15.783 -9.219 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 4.721 15.321 -10.393 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.554 10.792 -8.325 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.901 10.244 -8.278 1.00 0.69 C ATOM 1002 C TYR A 62 -2.699 11.011 -7.235 1.00 0.67 C ATOM 1003 O TYR A 62 -2.112 11.717 -6.397 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.902 8.725 -8.018 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.531 8.318 -6.599 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.477 8.327 -5.576 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -0.228 7.963 -6.298 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -2.139 7.982 -4.284 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.111 7.602 -5.009 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.852 7.620 -4.003 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.516 7.282 -2.710 1.00 2.21 O ATOM 0 H TYR A 62 -0.233 11.176 -7.436 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.375 10.368 -9.252 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.893 8.333 -8.246 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -1.205 8.252 -8.710 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.495 8.610 -5.799 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.525 7.968 -7.072 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.884 7.998 -3.502 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.124 7.305 -4.781 1.00 1.79 H new ATOM 0 HH TYR A 62 -1.223 7.580 -2.100 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.997 10.887 -7.274 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.860 11.567 -6.330 1.00 0.73 C ATOM 1023 C ASN A 63 -5.329 10.590 -5.290 1.00 0.64 C ATOM 1024 O ASN A 63 -5.923 9.575 -5.621 1.00 0.73 O ATOM 1025 CB ASN A 63 -6.075 12.171 -7.060 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.917 13.098 -6.203 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.343 13.629 -5.116 1.00 2.15 O flip ATOM 1028 ND2 ASN A 63 -8.079 13.388 -6.534 1.00 2.13 N flip ATOM 0 H ASN A 63 -4.492 10.314 -7.957 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.302 12.372 -5.851 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.724 12.721 -7.933 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.705 11.360 -7.426 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -8.492 12.969 -7.367 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -8.620 14.046 -5.973 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.093 10.895 -4.028 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.533 10.020 -2.944 1.00 0.70 C ATOM 1037 C ILE A 64 -6.364 10.804 -1.938 1.00 0.79 C ATOM 1038 O ILE A 64 -6.011 11.919 -1.523 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.329 9.338 -2.230 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.779 8.191 -1.341 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.514 10.344 -1.441 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.697 7.261 -0.969 1.00 1.18 C ATOM 0 H ILE A 64 -4.602 11.736 -3.723 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.148 9.234 -3.383 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.689 8.921 -3.008 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.221 8.601 -0.433 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.563 7.634 -1.853 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.681 9.836 -0.955 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.129 11.109 -2.115 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.145 10.811 -0.685 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.098 6.471 -0.334 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.270 6.821 -1.870 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.922 7.803 -0.427 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.496 10.220 -1.552 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.386 10.843 -0.582 1.00 0.80 C ATOM 1056 C ARG A 65 -8.863 9.788 0.413 1.00 0.68 C ATOM 1057 O ARG A 65 -8.540 8.586 0.307 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.572 11.487 -1.300 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.156 12.380 -2.463 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.343 13.027 -3.118 1.00 1.78 C ATOM 1061 NE ARG A 65 -10.993 12.138 -4.080 1.00 2.20 N ATOM 1062 CZ ARG A 65 -12.075 12.470 -4.794 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -12.742 13.582 -4.522 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -12.542 11.650 -5.713 1.00 3.57 N ATOM 0 H ARG A 65 -7.817 9.316 -1.898 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.852 11.624 -0.040 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.233 10.704 -1.670 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.145 12.076 -0.584 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.473 13.150 -2.104 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.611 11.789 -3.199 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -11.062 13.322 -2.354 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -10.025 13.938 -3.625 1.00 1.78 H new ATOM 0 HE ARG A 65 -10.597 11.208 -4.215 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -12.432 14.191 -3.765 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -13.566 13.829 -5.070 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -12.079 10.757 -5.883 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -13.367 11.908 -6.255 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.667 10.226 1.371 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.182 9.323 2.381 1.00 0.83 C ATOM 1080 C GLN A 66 -11.571 9.762 2.797 1.00 0.99 C ATOM 1081 O GLN A 66 -11.826 10.960 2.923 1.00 1.30 O ATOM 1082 CB GLN A 66 -9.276 9.283 3.613 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.011 10.651 4.224 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.597 10.585 5.686 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.565 10.012 6.033 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -9.401 11.173 6.547 1.00 2.45 N ATOM 0 H GLN A 66 -9.973 11.194 1.467 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.217 8.323 1.949 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.731 8.641 4.367 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.325 8.827 3.338 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -8.228 11.151 3.654 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -9.909 11.262 4.135 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -10.248 11.638 6.219 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -9.177 11.164 7.542 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.478 8.817 3.007 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.820 9.146 3.412 1.00 1.14 C ATOM 1097 C HIS A 67 -14.174 8.357 4.659 1.00 1.30 C ATOM 1098 O HIS A 67 -14.238 7.126 4.611 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.795 8.811 2.285 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.599 9.602 1.026 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.797 10.959 0.933 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.211 9.191 -0.208 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.541 11.360 -0.306 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.175 10.303 -1.024 1.00 1.61 N ATOM 0 H HIS A 67 -12.299 7.818 2.901 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.887 10.212 3.629 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.704 7.751 2.049 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.812 8.972 2.644 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.974 8.178 -0.498 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.617 12.374 -0.670 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.912 10.312 -2.010 1.00 1.61 H new ATOM 1113 N THR A 68 -14.378 9.061 5.766 1.00 1.74 N ATOM 1114 CA THR A 68 -14.736 8.427 7.024 1.00 2.04 C ATOM 1115 C THR A 68 -16.242 8.396 7.143 1.00 1.92 C ATOM 1116 O THR A 68 -16.887 7.764 6.317 1.00 2.16 O ATOM 1117 CB THR A 68 -14.096 9.162 8.213 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.877 9.766 7.814 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.792 8.253 9.395 1.00 3.23 C ATOM 0 H THR A 68 -14.300 10.077 5.815 1.00 1.74 H new ATOM 0 HA THR A 68 -14.354 7.406 7.039 1.00 2.04 H new ATOM 0 HB THR A 68 -14.830 9.903 8.530 1.00 2.74 H new ATOM 0 HG1 THR A 68 -12.478 10.233 8.578 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.342 8.838 10.197 1.00 3.23 H new ATOM 0 HG22 THR A 68 -14.716 7.798 9.752 1.00 3.23 H new ATOM 0 HG23 THR A 68 -13.100 7.471 9.084 1.00 3.23 H new ATOM 1127 N THR A 69 -16.792 9.078 8.160 1.00 2.34 N ATOM 1128 CA THR A 69 -18.242 9.128 8.392 1.00 2.58 C ATOM 1129 C THR A 69 -18.780 7.817 8.940 1.00 2.35 C ATOM 1130 O THR A 69 -19.436 7.787 9.974 1.00 2.76 O ATOM 1131 CB THR A 69 -18.985 9.533 7.097 1.00 3.11 C ATOM 1132 OG1 THR A 69 -18.321 10.614 6.438 1.00 3.61 O ATOM 1133 CG2 THR A 69 -20.405 10.002 7.350 1.00 3.69 C ATOM 0 H THR A 69 -16.247 9.607 8.840 1.00 2.34 H new ATOM 0 HA THR A 69 -18.425 9.888 9.151 1.00 2.58 H new ATOM 0 HB THR A 69 -18.995 8.630 6.487 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.810 10.849 5.622 1.00 3.61 H new ATOM 0 HG21 THR A 69 -20.873 10.272 6.403 1.00 3.69 H new ATOM 0 HG22 THR A 69 -20.974 9.201 7.821 1.00 3.69 H new ATOM 0 HG23 THR A 69 -20.389 10.871 8.008 1.00 3.69 H new ATOM 1141 N ASP A 70 -18.456 6.731 8.249 1.00 2.34 N ATOM 1142 CA ASP A 70 -18.866 5.398 8.659 1.00 2.43 C ATOM 1143 C ASP A 70 -17.624 4.550 8.907 1.00 2.17 C ATOM 1144 O ASP A 70 -17.347 4.173 10.044 1.00 2.45 O ATOM 1145 CB ASP A 70 -19.771 4.737 7.617 1.00 3.01 C ATOM 1146 CG ASP A 70 -20.317 3.387 8.083 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -20.237 3.089 9.298 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -20.829 2.613 7.243 1.00 4.26 O ATOM 0 H ASP A 70 -17.903 6.751 7.392 1.00 2.34 H new ATOM 0 HA ASP A 70 -19.446 5.480 9.578 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -20.604 5.403 7.390 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.212 4.599 6.691 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.871 4.283 7.850 1.00 2.04 N ATOM 1154 CA GLU A 71 -15.639 3.505 7.958 1.00 2.00 C ATOM 1155 C GLU A 71 -14.509 4.243 7.253 1.00 1.55 C ATOM 1156 O GLU A 71 -14.751 4.889 6.232 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.830 2.113 7.327 1.00 2.69 C ATOM 1158 CG GLU A 71 -17.114 1.395 7.727 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.158 -0.035 7.203 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.416 -0.901 7.719 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.899 -0.273 6.232 1.00 4.50 O ATOM 0 H GLU A 71 -17.090 4.594 6.903 1.00 2.04 H new ATOM 0 HA GLU A 71 -15.389 3.379 9.011 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.813 2.217 6.242 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -14.981 1.487 7.601 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -17.200 1.385 8.814 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -17.972 1.947 7.344 1.00 3.30 H new ATOM 1168 N ASP A 72 -13.276 4.167 7.775 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.131 4.827 7.171 1.00 1.10 C ATOM 1170 C ASP A 72 -11.830 4.207 5.802 1.00 0.90 C ATOM 1171 O ASP A 72 -11.189 3.156 5.713 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.881 4.697 8.078 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.130 5.080 9.521 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -12.008 4.455 10.168 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.448 5.980 10.029 1.00 2.64 O ATOM 0 H ASP A 72 -13.055 3.647 8.624 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.372 5.883 7.050 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -10.523 3.668 8.042 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.086 5.326 7.677 1.00 1.58 H new ATOM 1180 N THR A 73 -12.317 4.841 4.748 1.00 0.74 N ATOM 1181 CA THR A 73 -12.114 4.345 3.413 1.00 0.65 C ATOM 1182 C THR A 73 -11.098 5.171 2.644 1.00 0.60 C ATOM 1183 O THR A 73 -11.314 6.356 2.383 1.00 0.79 O ATOM 1184 CB THR A 73 -13.453 4.403 2.672 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.492 3.881 3.465 1.00 0.89 O ATOM 1186 CG2 THR A 73 -13.475 3.683 1.363 1.00 0.94 C ATOM 0 H THR A 73 -12.858 5.704 4.801 1.00 0.74 H new ATOM 0 HA THR A 73 -11.733 3.326 3.481 1.00 0.65 H new ATOM 0 HB THR A 73 -13.598 5.464 2.468 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.567 4.403 4.291 1.00 0.89 H new ATOM 0 HG21 THR A 73 -14.463 3.779 0.912 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.728 4.116 0.697 1.00 0.94 H new ATOM 0 HG23 THR A 73 -13.250 2.629 1.524 1.00 0.94 H new ATOM 1194 N ILE A 74 -10.023 4.536 2.265 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.983 5.196 1.496 1.00 0.52 C ATOM 1196 C ILE A 74 -9.231 4.920 0.034 1.00 0.50 C ATOM 1197 O ILE A 74 -9.287 3.775 -0.368 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.549 4.707 1.883 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.124 5.259 3.236 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.534 5.078 0.832 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.045 6.776 3.266 1.00 0.99 C ATOM 0 H ILE A 74 -9.836 3.555 2.474 1.00 0.53 H new ATOM 0 HA ILE A 74 -9.024 6.264 1.712 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.591 3.620 1.949 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.830 4.923 3.996 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.151 4.846 3.500 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.549 4.722 1.135 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.809 4.619 -0.118 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.508 6.162 0.717 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.737 7.105 4.258 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.318 7.117 2.529 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.023 7.196 3.032 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.351 5.961 -0.755 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.570 5.816 -2.173 1.00 0.45 C ATOM 1215 C VAL A 75 -8.454 6.447 -2.990 1.00 0.46 C ATOM 1216 O VAL A 75 -7.864 7.442 -2.577 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.898 6.447 -2.581 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -12.064 5.709 -1.927 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.936 7.926 -2.203 1.00 1.19 C ATOM 0 H VAL A 75 -9.300 6.928 -0.434 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.588 4.746 -2.379 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.992 6.365 -3.664 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -13.003 6.172 -2.229 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -12.057 4.665 -2.242 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.966 5.762 -0.843 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.892 8.354 -2.504 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.815 8.029 -1.125 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -10.127 8.452 -2.710 1.00 1.19 H new ATOM 1229 N LEU A 76 -8.154 5.834 -4.130 1.00 0.51 N ATOM 1230 CA LEU A 76 -7.103 6.341 -4.987 1.00 0.58 C ATOM 1231 C LEU A 76 -7.623 6.596 -6.401 1.00 0.59 C ATOM 1232 O LEU A 76 -8.029 5.672 -7.116 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.939 5.332 -5.053 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.258 5.026 -3.717 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -6.039 3.979 -2.922 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.839 4.522 -3.958 1.00 1.04 C ATOM 0 H LEU A 76 -8.621 4.995 -4.474 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.753 7.283 -4.564 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.313 4.398 -5.473 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.188 5.714 -5.745 1.00 0.74 H new ATOM 0 HG LEU A 76 -5.229 5.949 -3.138 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -5.529 3.784 -1.978 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -7.044 4.350 -2.722 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -6.101 3.056 -3.499 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -3.362 4.307 -3.002 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.873 3.613 -4.559 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -3.267 5.285 -4.485 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.617 7.855 -6.787 1.00 0.62 N ATOM 1249 CA GLN A 77 -8.065 8.271 -8.107 1.00 0.74 C ATOM 1250 C GLN A 77 -6.863 8.654 -8.977 1.00 0.78 C ATOM 1251 O GLN A 77 -6.368 9.790 -8.927 1.00 1.06 O ATOM 1252 CB GLN A 77 -9.007 9.456 -8.019 1.00 0.93 C ATOM 1253 CG GLN A 77 -10.402 9.091 -7.485 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.421 8.759 -6.013 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.974 9.525 -5.158 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.938 7.568 -5.708 1.00 2.03 N ATOM 0 H GLN A 77 -7.301 8.623 -6.195 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.596 7.431 -8.555 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.566 10.214 -7.372 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -9.110 9.902 -9.008 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -11.081 9.924 -7.669 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -10.784 8.238 -8.046 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.298 6.964 -6.447 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -10.974 7.261 -4.736 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.355 7.713 -9.786 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.210 7.939 -10.644 1.00 0.99 C ATOM 1267 C PRO A 78 -5.450 9.013 -11.691 1.00 1.02 C ATOM 1268 O PRO A 78 -6.501 9.080 -12.340 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.994 6.586 -11.327 1.00 1.43 C ATOM 1270 CG PRO A 78 -5.724 5.593 -10.478 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.877 6.334 -9.915 1.00 1.20 C ATOM 0 HA PRO A 78 -4.354 8.292 -10.068 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.382 6.593 -12.345 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -3.933 6.343 -11.392 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.056 4.739 -11.068 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -5.082 5.204 -9.687 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.745 6.291 -10.573 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.187 5.928 -8.952 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.445 9.850 -11.886 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.549 10.900 -12.883 1.00 1.56 C ATOM 1281 C GLN A 79 -3.855 10.461 -14.162 1.00 1.66 C ATOM 1282 O GLN A 79 -3.601 11.256 -15.072 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.945 12.208 -12.392 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.511 12.068 -11.897 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.834 13.405 -11.719 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.186 14.194 -10.851 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -0.815 13.656 -12.525 1.00 3.46 N ATOM 0 H GLN A 79 -3.562 9.824 -11.376 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.608 11.075 -13.075 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.972 12.938 -13.201 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.562 12.604 -11.585 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.507 11.532 -10.948 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.942 11.466 -12.605 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.549 12.976 -13.237 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.296 14.529 -12.434 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.602 9.179 -14.228 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.983 8.564 -15.378 1.00 1.81 C ATOM 1298 C GLU A 80 -3.812 7.361 -15.774 1.00 1.62 C ATOM 1299 O GLU A 80 -4.334 6.671 -14.899 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.535 8.128 -15.014 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.712 9.130 -14.244 1.00 3.06 C ATOM 1302 CD GLU A 80 -0.345 10.348 -15.039 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.240 10.184 -16.137 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -0.633 11.467 -14.591 1.00 4.35 O ATOM 0 H GLU A 80 -3.822 8.524 -13.477 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.934 9.266 -16.210 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.590 7.209 -14.430 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.007 7.888 -15.937 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.267 9.439 -13.358 1.00 3.06 H new ATOM 0 HG3 GLU A 80 0.200 8.646 -13.895 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.973 7.094 -17.092 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.768 5.958 -17.566 1.00 2.28 C ATOM 1313 C PRO A 81 -4.181 4.604 -17.136 1.00 2.24 C ATOM 1314 O PRO A 81 -4.890 3.636 -16.913 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.737 6.108 -19.080 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.582 7.006 -19.380 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.396 7.889 -18.190 1.00 2.53 C ATOM 0 HA PRO A 81 -5.775 5.965 -17.149 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -4.615 5.140 -19.566 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.670 6.535 -19.449 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.681 6.424 -19.573 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -3.776 7.599 -20.274 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.344 8.114 -18.015 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -3.910 8.842 -18.311 1.00 2.53 H new ATOM 1325 N GLY A 82 -2.873 4.559 -16.989 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.183 3.358 -16.563 1.00 2.10 C ATOM 1327 C GLY A 82 -1.895 3.447 -15.088 1.00 1.96 C ATOM 1328 O GLY A 82 -0.874 3.998 -14.678 1.00 2.51 O ATOM 0 H GLY A 82 -2.258 5.354 -17.161 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.793 2.480 -16.774 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.254 3.241 -17.120 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.789 2.858 -14.308 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.669 2.862 -12.837 1.00 1.40 C ATOM 1334 C LEU A 83 -3.975 2.349 -12.256 1.00 1.22 C ATOM 1335 O LEU A 83 -5.050 2.826 -12.621 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.407 4.284 -12.306 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.774 4.341 -10.918 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -0.443 3.594 -10.889 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -1.594 5.765 -10.488 1.00 1.26 C ATOM 0 H LEU A 83 -3.611 2.367 -14.659 1.00 1.57 H new ATOM 0 HA LEU A 83 -1.831 2.229 -12.544 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.757 4.805 -13.008 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.351 4.828 -12.282 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.446 3.848 -10.216 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.015 3.651 -9.888 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -0.606 2.549 -11.155 1.00 1.86 H new ATOM 0 HD13 LEU A 83 0.244 4.047 -11.604 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -1.142 5.791 -9.497 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.945 6.280 -11.197 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.564 6.261 -10.458 1.00 1.26 H new ATOM 1351 N PRO A 84 -3.909 1.371 -11.342 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.108 0.800 -10.723 1.00 1.29 C ATOM 1353 C PRO A 84 -5.817 1.763 -9.785 1.00 1.09 C ATOM 1354 O PRO A 84 -5.201 2.431 -8.924 1.00 1.15 O ATOM 1355 CB PRO A 84 -4.611 -0.456 -9.979 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.137 -0.259 -9.790 1.00 1.75 C ATOM 1357 CD PRO A 84 -2.665 0.720 -10.849 1.00 1.64 C ATOM 0 HA PRO A 84 -5.859 0.567 -11.478 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.117 -0.569 -9.020 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -4.815 -1.359 -10.555 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -2.927 0.126 -8.792 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -2.609 -1.208 -9.883 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -1.974 1.452 -10.432 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.139 0.208 -11.655 1.00 1.64 H new ATOM 1365 N SER A 85 -7.138 1.820 -9.926 1.00 0.99 N ATOM 1366 CA SER A 85 -7.971 2.700 -9.123 1.00 0.88 C ATOM 1367 C SER A 85 -8.849 1.884 -8.211 1.00 0.63 C ATOM 1368 O SER A 85 -9.816 1.266 -8.658 1.00 0.82 O ATOM 1369 CB SER A 85 -8.837 3.560 -10.031 1.00 1.23 C ATOM 1370 OG SER A 85 -8.151 3.789 -11.273 1.00 1.43 O ATOM 0 H SER A 85 -7.657 1.257 -10.600 1.00 0.99 H new ATOM 0 HA SER A 85 -7.330 3.344 -8.521 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.791 3.066 -10.216 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.059 4.510 -9.546 1.00 1.23 H new ATOM 0 HG SER A 85 -8.710 4.342 -11.858 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.518 1.872 -6.929 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.279 1.087 -5.969 1.00 0.64 C ATOM 1378 C PHE A 86 -9.503 1.841 -4.675 1.00 0.57 C ATOM 1379 O PHE A 86 -9.219 3.034 -4.574 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.576 -0.255 -5.707 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.254 -0.162 -4.996 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.202 0.584 -5.510 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -7.070 -0.797 -3.784 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.005 0.686 -4.850 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.890 -0.705 -3.110 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.852 0.033 -3.615 1.00 0.75 C ATOM 0 H PHE A 86 -7.735 2.391 -6.532 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.261 0.893 -6.400 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.242 -0.886 -5.119 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.421 -0.757 -6.662 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.330 1.096 -6.452 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.877 -1.378 -3.362 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -4.193 1.259 -5.272 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.771 -1.219 -2.168 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.924 0.112 -3.069 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.997 1.090 -3.676 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.250 1.630 -2.358 1.00 0.57 C ATOM 1398 C ARG A 87 -9.881 0.584 -1.323 1.00 0.57 C ATOM 1399 O ARG A 87 -10.001 -0.593 -1.582 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.716 2.039 -2.177 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.651 1.676 -3.328 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.621 2.721 -4.442 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.770 2.611 -5.326 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.860 3.209 -6.506 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -12.752 3.603 -7.118 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.999 3.121 -7.188 1.00 2.41 N ATOM 0 H ARG A 87 -10.226 0.101 -3.772 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.643 2.527 -2.233 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.094 1.575 -1.266 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.757 3.118 -2.026 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.366 0.705 -3.734 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -13.669 1.578 -2.951 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.596 3.718 -4.003 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -11.705 2.606 -5.022 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.556 2.038 -5.019 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -11.844 3.445 -6.681 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -12.807 4.064 -8.026 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.786 2.600 -6.802 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -15.085 3.575 -8.097 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.412 1.011 -0.167 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.016 0.086 0.886 1.00 0.54 C ATOM 1422 C ILE A 88 -9.793 0.348 2.166 1.00 0.59 C ATOM 1423 O ILE A 88 -9.824 1.468 2.662 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.494 0.107 1.168 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.924 1.531 1.065 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.775 -0.849 0.222 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.468 1.638 1.477 1.00 0.74 C ATOM 0 H ILE A 88 -9.294 1.996 0.071 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.259 -0.912 0.520 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.328 -0.229 2.191 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.028 1.881 0.038 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.519 2.197 1.690 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.705 -0.828 0.427 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.153 -1.861 0.370 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.953 -0.543 -0.809 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.137 2.672 1.378 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.359 1.320 2.514 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.861 0.999 0.836 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.441 -0.696 2.698 1.00 0.62 N ATOM 1440 CA LYS A 89 -11.219 -0.591 3.923 1.00 0.74 C ATOM 1441 C LYS A 89 -10.770 -1.681 4.905 1.00 0.85 C ATOM 1442 O LYS A 89 -10.641 -2.857 4.538 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.724 -0.793 3.615 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.312 0.199 2.587 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.850 0.183 2.587 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.376 0.654 3.938 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.859 0.808 3.924 1.00 2.46 N ATOM 0 H LYS A 89 -10.436 -1.630 2.288 1.00 0.62 H new ATOM 0 HA LYS A 89 -11.063 0.397 4.357 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.872 -1.808 3.246 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -13.286 -0.707 4.545 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.960 1.206 2.812 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.947 -0.052 1.591 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -15.229 0.829 1.795 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -15.211 -0.824 2.378 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.091 -0.061 4.710 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.913 1.606 4.198 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -17.103 1.819 3.904 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -17.249 0.341 3.080 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -17.261 0.372 4.778 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.543 -1.310 6.161 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.137 -2.255 7.206 1.00 1.30 C ATOM 1463 C PRO A 90 -11.311 -3.123 7.683 1.00 1.47 C ATOM 1464 O PRO A 90 -11.630 -3.185 8.872 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.613 -1.338 8.309 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.373 -0.081 8.135 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.697 0.059 6.665 1.00 1.29 C ATOM 0 HA PRO A 90 -9.395 -2.977 6.866 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.779 -1.769 9.296 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.540 -1.171 8.210 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.287 -0.101 8.728 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.788 0.771 8.481 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.708 0.435 6.509 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.019 0.751 6.166 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.937 -3.800 6.735 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.049 -4.668 7.041 1.00 1.72 C ATOM 1477 C LYS A 91 -12.555 -6.016 7.553 1.00 2.02 C ATOM 1478 O LYS A 91 -12.496 -7.019 6.843 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.944 -4.887 5.816 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.874 -3.729 5.556 1.00 2.50 C ATOM 1481 CD LYS A 91 -16.008 -4.136 4.613 1.00 2.94 C ATOM 1482 CE LYS A 91 -17.179 -3.141 4.660 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.690 -2.973 6.068 1.00 4.13 N ATOM 0 H LYS A 91 -11.689 -3.761 5.746 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.636 -4.178 7.818 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.318 -5.048 4.939 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -14.532 -5.794 5.959 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.290 -3.374 6.499 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.315 -2.900 5.122 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.627 -4.200 3.594 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -16.365 -5.130 4.883 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.857 -2.176 4.269 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -17.985 -3.492 4.016 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.613 -2.494 6.048 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -17.795 -3.907 6.513 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.015 -2.402 6.616 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.173 -5.980 8.793 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.649 -7.129 9.524 1.00 2.92 C ATOM 1499 C ASP A 92 -11.917 -6.902 11.010 1.00 2.79 C ATOM 1500 O ASP A 92 -12.847 -6.181 11.348 1.00 3.27 O ATOM 1501 CB ASP A 92 -10.148 -7.262 9.243 1.00 3.81 C ATOM 1502 CG ASP A 92 -9.566 -8.591 9.720 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -9.897 -9.637 9.117 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -8.822 -8.575 10.714 1.00 5.11 O ATOM 0 H ASP A 92 -12.212 -5.130 9.356 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.133 -8.054 9.209 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -9.974 -7.159 8.172 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -9.619 -6.444 9.732 1.00 3.81 H new ATOM 1509 N PHE A 93 -11.106 -7.446 11.894 1.00 2.71 N ATOM 1510 CA PHE A 93 -11.293 -7.193 13.316 1.00 2.95 C ATOM 1511 C PHE A 93 -10.797 -5.769 13.645 1.00 3.05 C ATOM 1512 O PHE A 93 -9.586 -5.516 13.601 1.00 3.30 O ATOM 1513 CB PHE A 93 -10.503 -8.212 14.143 1.00 3.27 C ATOM 1514 CG PHE A 93 -10.721 -8.122 15.637 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -12.002 -8.255 16.180 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -9.648 -7.928 16.493 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -12.195 -8.201 17.557 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -9.863 -7.861 17.870 1.00 5.30 C ATOM 1519 CZ PHE A 93 -11.132 -8.000 18.390 1.00 5.69 C ATOM 0 H PHE A 93 -10.322 -8.057 11.663 1.00 2.71 H new ATOM 0 HA PHE A 93 -12.351 -7.285 13.561 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -10.771 -9.215 13.811 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -9.441 -8.081 13.936 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -12.849 -8.401 15.526 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -8.649 -7.829 16.095 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -13.187 -8.318 17.967 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -9.027 -7.699 18.535 1.00 5.30 H new ATOM 0 HZ PHE A 93 -11.286 -7.950 19.458 1.00 5.69 H new ATOM 1529 N GLU A 94 -11.732 -4.892 13.965 1.00 3.44 N ATOM 1530 CA GLU A 94 -11.373 -3.527 14.296 1.00 3.96 C ATOM 1531 C GLU A 94 -10.907 -3.463 15.734 1.00 3.75 C ATOM 1532 O GLU A 94 -11.321 -4.283 16.572 1.00 4.15 O ATOM 1533 CB GLU A 94 -12.537 -2.552 14.061 1.00 4.82 C ATOM 1534 CG GLU A 94 -12.063 -1.125 13.939 1.00 5.73 C ATOM 1535 CD GLU A 94 -13.192 -0.145 13.774 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -14.362 -0.552 13.952 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -12.914 1.038 13.480 1.00 6.69 O ATOM 0 H GLU A 94 -12.731 -5.097 14.002 1.00 3.44 H new ATOM 0 HA GLU A 94 -10.563 -3.219 13.635 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -13.070 -2.836 13.154 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -13.247 -2.629 14.885 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -11.487 -0.862 14.826 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -11.390 -1.043 13.086 1.00 5.73 H new ATOM 1544 N THR A 95 -10.030 -2.510 15.996 1.00 3.56 N ATOM 1545 CA THR A 95 -9.436 -2.314 17.318 1.00 3.57 C ATOM 1546 C THR A 95 -8.595 -3.535 17.665 1.00 3.11 C ATOM 1547 O THR A 95 -8.960 -4.381 18.477 1.00 3.46 O ATOM 1548 CB THR A 95 -10.498 -2.043 18.390 1.00 4.37 C ATOM 1549 OG1 THR A 95 -11.528 -1.248 17.865 1.00 4.92 O ATOM 1550 CG2 THR A 95 -9.919 -1.333 19.600 1.00 4.79 C ATOM 0 H THR A 95 -9.704 -1.843 15.297 1.00 3.56 H new ATOM 0 HA THR A 95 -8.799 -1.430 17.291 1.00 3.57 H new ATOM 0 HB THR A 95 -10.883 -3.014 18.703 1.00 4.37 H new ATOM 0 HG1 THR A 95 -12.200 -1.084 18.559 1.00 4.92 H new ATOM 0 HG21 THR A 95 -10.707 -1.162 20.333 1.00 4.79 H new ATOM 0 HG22 THR A 95 -9.138 -1.950 20.044 1.00 4.79 H new ATOM 0 HG23 THR A 95 -9.495 -0.377 19.293 1.00 4.79 H new ATOM 1558 N SER A 96 -7.499 -3.618 16.952 1.00 2.83 N ATOM 1559 CA SER A 96 -6.578 -4.724 17.079 1.00 2.92 C ATOM 1560 C SER A 96 -5.180 -4.230 16.793 1.00 2.63 C ATOM 1561 O SER A 96 -4.595 -3.480 17.592 1.00 2.95 O ATOM 1562 CB SER A 96 -6.972 -5.824 16.075 1.00 3.49 C ATOM 1563 OG SER A 96 -6.283 -7.032 16.283 1.00 4.05 O ATOM 0 H SER A 96 -7.218 -2.919 16.264 1.00 2.83 H new ATOM 0 HA SER A 96 -6.613 -5.135 18.088 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.044 -6.007 16.147 1.00 3.49 H new ATOM 0 HB3 SER A 96 -6.777 -5.471 15.063 1.00 3.49 H new ATOM 0 HG SER A 96 -6.573 -7.693 15.620 1.00 4.05 H new ATOM 1569 N GLU A 97 -4.678 -4.639 15.627 1.00 2.52 N ATOM 1570 CA GLU A 97 -3.344 -4.274 15.178 1.00 2.71 C ATOM 1571 C GLU A 97 -3.159 -2.773 15.323 1.00 2.41 C ATOM 1572 O GLU A 97 -2.079 -2.304 15.627 1.00 2.64 O ATOM 1573 CB GLU A 97 -3.140 -4.617 13.691 1.00 3.26 C ATOM 1574 CG GLU A 97 -3.596 -6.010 13.318 1.00 3.93 C ATOM 1575 CD GLU A 97 -5.072 -6.069 12.980 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -5.768 -5.041 13.122 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -5.542 -7.159 12.588 1.00 4.75 O ATOM 0 H GLU A 97 -5.188 -5.232 14.972 1.00 2.52 H new ATOM 0 HA GLU A 97 -2.628 -4.829 15.784 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -3.682 -3.892 13.083 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -2.083 -4.513 13.445 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -3.017 -6.361 12.464 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -3.389 -6.690 14.145 1.00 3.93 H new ATOM 1584 N TYR A 98 -4.272 -2.044 15.095 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.326 -0.590 15.186 1.00 1.95 C ATOM 1586 C TYR A 98 -3.399 0.071 14.139 1.00 1.56 C ATOM 1587 O TYR A 98 -3.578 1.213 13.756 1.00 1.45 O ATOM 1588 CB TYR A 98 -3.970 -0.188 16.604 1.00 2.16 C ATOM 1589 CG TYR A 98 -3.029 0.986 16.708 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -3.475 2.275 16.487 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -1.702 0.781 17.001 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -2.611 3.352 16.552 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -0.823 1.845 17.078 1.00 4.46 C ATOM 1594 CZ TYR A 98 -1.288 3.134 16.846 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.424 4.206 16.918 1.00 5.65 O ATOM 0 H TYR A 98 -5.165 -2.466 14.840 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.332 -0.238 14.960 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -4.888 0.051 17.141 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.519 -1.043 17.108 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -4.517 2.444 16.259 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -1.342 -0.223 17.173 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -2.973 4.354 16.373 1.00 4.19 H new ATOM 0 HE2 TYR A 98 0.217 1.676 17.317 1.00 4.46 H new ATOM 0 HH TYR A 98 0.476 3.886 17.136 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.447 -0.719 13.654 1.00 1.54 N ATOM 1606 CA VAL A 99 -1.509 -0.276 12.666 1.00 1.34 C ATOM 1607 C VAL A 99 -2.196 -0.347 11.331 1.00 1.17 C ATOM 1608 O VAL A 99 -1.957 0.480 10.465 1.00 1.04 O ATOM 1609 CB VAL A 99 -0.218 -1.131 12.667 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.497 -2.603 12.445 1.00 1.91 C ATOM 1611 CG2 VAL A 99 0.731 -0.595 11.612 1.00 1.76 C ATOM 0 H VAL A 99 -2.316 -1.687 13.946 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.197 0.744 12.888 1.00 1.34 H new ATOM 0 HB VAL A 99 0.241 -1.053 13.653 1.00 1.65 H new ATOM 0 HG11 VAL A 99 0.442 -3.157 12.455 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -1.146 -2.974 13.239 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -0.988 -2.739 11.482 1.00 1.91 H new ATOM 0 HG21 VAL A 99 1.643 -1.192 11.606 1.00 1.76 H new ATOM 0 HG22 VAL A 99 0.255 -0.650 10.633 1.00 1.76 H new ATOM 0 HG23 VAL A 99 0.978 0.442 11.838 1.00 1.76 H new ATOM 1621 N ARG A 100 -3.079 -1.336 11.213 1.00 1.36 N ATOM 1622 CA ARG A 100 -3.859 -1.533 10.007 1.00 1.42 C ATOM 1623 C ARG A 100 -4.624 -0.252 9.682 1.00 1.31 C ATOM 1624 O ARG A 100 -4.518 0.301 8.602 1.00 1.31 O ATOM 1625 CB ARG A 100 -4.828 -2.704 10.169 1.00 1.78 C ATOM 1626 CG ARG A 100 -5.550 -3.062 8.866 1.00 2.37 C ATOM 1627 CD ARG A 100 -6.493 -4.211 9.123 1.00 3.01 C ATOM 1628 NE ARG A 100 -7.638 -3.816 9.941 1.00 3.48 N ATOM 1629 CZ ARG A 100 -8.323 -4.645 10.700 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -7.721 -5.732 11.181 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -9.358 -4.152 11.353 1.00 4.93 N ATOM 0 H ARG A 100 -3.269 -2.016 11.949 1.00 1.36 H new ATOM 0 HA ARG A 100 -3.183 -1.769 9.186 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -4.280 -3.576 10.527 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -5.566 -2.456 10.932 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -6.102 -2.199 8.493 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -4.826 -3.334 8.098 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.848 -4.606 8.171 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -5.954 -5.016 9.622 1.00 3.01 H new ATOM 0 HE ARG A 100 -7.924 -2.837 9.923 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -6.742 -5.913 10.960 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -8.239 -6.383 11.771 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -9.598 -3.165 11.258 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -9.918 -4.758 11.953 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.356 0.266 10.649 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.102 1.513 10.453 1.00 1.43 C ATOM 1647 C LYS A 101 -5.167 2.713 10.483 1.00 1.27 C ATOM 1648 O LYS A 101 -5.476 3.758 9.883 1.00 1.40 O ATOM 1649 CB LYS A 101 -7.199 1.660 11.512 1.00 1.68 C ATOM 1650 CG LYS A 101 -8.466 0.892 11.197 1.00 2.35 C ATOM 1651 CD LYS A 101 -9.555 1.202 12.213 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.920 2.702 12.184 1.00 2.79 C ATOM 1653 NZ LYS A 101 -11.197 2.991 12.853 1.00 3.24 N ATOM 0 H LYS A 101 -5.456 -0.147 11.576 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.575 1.473 9.472 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -6.810 1.321 12.472 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -7.444 2.716 11.622 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.813 1.149 10.196 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.257 -0.178 11.197 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -10.440 0.603 11.998 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -9.217 0.924 13.211 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.126 3.274 12.664 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -9.973 3.038 11.149 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.832 3.482 12.192 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -11.638 2.100 13.159 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -11.026 3.595 13.682 1.00 3.24 H new ATOM 1667 N ALA A 102 -4.051 2.573 11.193 1.00 1.11 N ATOM 1668 CA ALA A 102 -3.074 3.643 11.312 1.00 1.11 C ATOM 1669 C ALA A 102 -2.708 4.153 9.928 1.00 0.99 C ATOM 1670 O ALA A 102 -2.490 5.333 9.742 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.825 3.172 12.056 1.00 1.22 C ATOM 0 H ALA A 102 -3.803 1.721 11.697 1.00 1.11 H new ATOM 0 HA ALA A 102 -3.516 4.454 11.891 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -1.113 3.994 12.129 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -2.101 2.841 13.057 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.369 2.344 11.513 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.574 3.216 8.982 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.181 3.525 7.600 1.00 1.01 C ATOM 1679 C TRP A 103 -2.974 4.698 6.994 1.00 0.93 C ATOM 1680 O TRP A 103 -2.507 5.325 6.053 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.257 2.291 6.729 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.037 1.441 6.829 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -0.604 0.738 7.904 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.037 1.269 5.819 1.00 0.61 C ATOM 1685 NE1 TRP A 103 0.564 0.081 7.597 1.00 1.16 N ATOM 1686 CE2 TRP A 103 0.936 0.418 6.330 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.100 1.749 4.531 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 2.036 0.049 5.586 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 1.198 1.371 3.793 1.00 0.73 C ATOM 1690 CH2 TRP A 103 2.157 0.531 4.324 1.00 0.98 C ATOM 0 H TRP A 103 -2.734 2.223 9.152 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.143 3.855 7.636 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.129 1.703 7.015 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.401 2.592 5.691 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.103 0.700 8.861 1.00 0.69 H new ATOM 0 HE1 TRP A 103 1.069 -0.554 8.215 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -0.643 2.410 4.110 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 2.786 -0.610 5.999 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 1.312 1.737 2.783 1.00 0.73 H new ATOM 0 HH2 TRP A 103 3.014 0.255 3.727 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.098 5.071 7.605 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.849 6.253 7.155 1.00 1.12 C ATOM 1703 C LEU A 104 -3.933 7.448 7.334 1.00 1.10 C ATOM 1704 O LEU A 104 -3.816 8.304 6.456 1.00 1.40 O ATOM 1705 CB LEU A 104 -6.116 6.445 8.021 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.368 5.678 7.598 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -8.052 6.392 6.445 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.048 4.237 7.224 1.00 1.69 C ATOM 0 H LEU A 104 -4.508 4.583 8.402 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.161 6.138 6.117 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.873 6.159 9.044 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.358 7.508 8.036 1.00 1.35 H new ATOM 0 HG LEU A 104 -8.046 5.648 8.451 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.943 5.837 6.151 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -8.336 7.397 6.757 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -7.368 6.455 5.599 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.964 3.726 6.929 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -6.342 4.225 6.393 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.608 3.728 8.081 1.00 1.69 H new ATOM 1720 N ARG A 105 -3.283 7.471 8.512 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.338 8.534 8.873 1.00 1.18 C ATOM 1722 C ARG A 105 -1.127 8.484 7.955 1.00 1.08 C ATOM 1723 O ARG A 105 -0.701 9.518 7.435 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.914 8.405 10.322 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.715 9.275 10.705 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.626 9.519 12.214 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.644 10.466 12.686 1.00 2.86 N ATOM 1728 CZ ARG A 105 -1.643 11.772 12.415 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -0.491 12.412 12.308 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -2.722 12.475 12.719 1.00 4.52 N ATOM 0 H ARG A 105 -3.399 6.758 9.232 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.833 9.498 8.751 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.758 8.667 10.960 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.672 7.362 10.526 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.202 8.795 10.363 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.785 10.232 10.189 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.742 8.572 12.741 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.365 9.901 12.460 1.00 2.29 H new ATOM 0 HE ARG A 105 -2.404 10.100 13.260 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.386 11.907 12.432 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -0.480 13.411 12.101 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -3.525 12.016 13.149 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -2.750 13.476 12.524 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.562 7.300 7.759 1.00 0.95 N ATOM 1745 CA ASP A 106 0.616 7.144 6.909 1.00 0.99 C ATOM 1746 C ASP A 106 0.331 7.526 5.466 1.00 0.96 C ATOM 1747 O ASP A 106 1.247 7.854 4.724 1.00 1.17 O ATOM 1748 CB ASP A 106 1.132 5.712 6.991 1.00 1.09 C ATOM 1749 CG ASP A 106 1.913 5.472 8.268 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.293 5.316 9.344 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.163 5.487 8.212 1.00 1.76 O ATOM 0 H ASP A 106 -0.899 6.432 8.176 1.00 0.95 H new ATOM 0 HA ASP A 106 1.384 7.825 7.277 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.292 5.019 6.942 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.768 5.504 6.130 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.937 7.506 5.082 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.334 7.877 3.751 1.00 1.04 C ATOM 1758 C ILE A 107 -1.551 9.386 3.712 1.00 1.23 C ATOM 1759 O ILE A 107 -1.247 10.044 2.734 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.636 7.127 3.333 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.294 5.886 2.506 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.566 8.031 2.557 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.265 4.967 3.155 1.00 1.45 C ATOM 0 H ILE A 107 -1.710 7.232 5.689 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.552 7.597 3.045 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.149 6.817 4.243 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.208 5.320 2.326 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.919 6.203 1.533 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.464 7.478 2.280 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.842 8.886 3.175 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.064 8.382 1.655 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.079 4.112 2.505 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.335 5.514 3.310 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.644 4.617 4.115 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.040 9.929 4.821 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.276 11.361 4.937 1.00 1.52 C ATOM 1777 C ALA A 108 -0.950 12.114 4.979 1.00 1.59 C ATOM 1778 O ALA A 108 -0.895 13.332 4.774 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.098 11.681 6.179 1.00 1.62 C ATOM 0 H ALA A 108 -2.281 9.395 5.656 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.840 11.682 4.061 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.259 12.757 6.241 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.060 11.173 6.119 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.563 11.343 7.066 1.00 1.62 H new ATOM 1785 N GLU A 109 0.108 11.366 5.271 1.00 1.39 N ATOM 1786 CA GLU A 109 1.467 11.919 5.364 1.00 1.50 C ATOM 1787 C GLU A 109 2.497 10.816 5.288 1.00 1.43 C ATOM 1788 O GLU A 109 2.983 10.304 6.299 1.00 1.70 O ATOM 1789 CB GLU A 109 1.640 12.690 6.676 1.00 1.69 C ATOM 1790 CG GLU A 109 0.860 12.123 7.855 1.00 1.73 C ATOM 1791 CD GLU A 109 0.862 13.040 9.043 1.00 2.07 C ATOM 1792 OE1 GLU A 109 0.548 14.227 8.858 1.00 2.40 O ATOM 1793 OE2 GLU A 109 1.144 12.567 10.156 1.00 2.56 O ATOM 0 H GLU A 109 0.056 10.363 5.450 1.00 1.39 H new ATOM 0 HA GLU A 109 1.614 12.599 4.525 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.699 12.709 6.934 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.332 13.724 6.518 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -0.169 11.934 7.548 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.289 11.163 8.141 1.00 1.73 H new ATOM 1800 N GLU A 110 2.808 10.430 4.059 1.00 1.49 N ATOM 1801 CA GLU A 110 3.760 9.347 3.803 1.00 1.63 C ATOM 1802 C GLU A 110 5.154 9.737 4.292 1.00 1.78 C ATOM 1803 O GLU A 110 5.457 10.942 4.361 1.00 2.20 O ATOM 1804 CB GLU A 110 3.827 8.999 2.305 1.00 2.09 C ATOM 1805 CG GLU A 110 2.484 8.955 1.606 1.00 2.83 C ATOM 1806 CD GLU A 110 2.084 10.303 0.997 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.006 11.309 1.735 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.851 10.366 -0.232 1.00 3.86 O ATOM 0 H GLU A 110 2.415 10.850 3.217 1.00 1.49 H new ATOM 0 HA GLU A 110 3.411 8.470 4.349 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.459 9.732 1.803 1.00 2.09 H new ATOM 0 HB3 GLU A 110 4.312 8.029 2.192 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.514 8.201 0.819 1.00 2.83 H new ATOM 0 HG3 GLU A 110 1.720 8.642 2.318 1.00 2.83 H new ATOM 1815 N GLN A 111 6.017 8.754 4.568 1.00 1.93 N ATOM 1816 CA GLN A 111 7.368 9.041 5.015 1.00 2.44 C ATOM 1817 C GLN A 111 8.201 9.728 3.933 1.00 2.84 C ATOM 1818 O GLN A 111 9.305 10.210 4.204 1.00 3.22 O ATOM 1819 CB GLN A 111 8.047 7.799 5.568 1.00 2.97 C ATOM 1820 CG GLN A 111 7.520 7.452 6.945 1.00 3.66 C ATOM 1821 CD GLN A 111 8.028 6.141 7.468 1.00 4.54 C ATOM 1822 OE1 GLN A 111 7.102 5.302 7.929 1.00 5.12 O flip ATOM 1823 NE2 GLN A 111 9.243 5.899 7.510 1.00 5.02 N flip ATOM 0 H GLN A 111 5.798 7.761 4.488 1.00 1.93 H new ATOM 0 HA GLN A 111 7.291 9.754 5.836 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.883 6.960 4.891 1.00 2.97 H new ATOM 0 HB3 GLN A 111 9.124 7.962 5.619 1.00 2.97 H new ATOM 0 HG2 GLN A 111 7.797 8.244 7.641 1.00 3.66 H new ATOM 0 HG3 GLN A 111 6.431 7.423 6.912 1.00 3.66 H new ATOM 0 HE21 GLN A 111 9.911 6.577 7.143 1.00 5.02 H new ATOM 0 HE22 GLN A 111 9.575 5.022 7.912 1.00 5.02 H new