USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 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+ -179:sc= -0.774 (180deg=-0.807) USER MOD Set 1.2: A 38 MET CE :methyl -168:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-1.6!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc=-0.00612 (180deg=-0.645) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.7) USER MOD Single : A 40 THR OG1 : rot -170:sc= -1.37 USER MOD Single : A 42 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3.2!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc=0.000698 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -98:sc= 1.25 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 66 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.2!) 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= -0.0386 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -17:sc= 0.671 USER MOD Single : A 77 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.4) USER MOD Single : A 79 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= -0.0133 (180deg=-0.132) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 156:sc= 0.417 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -134:sc= 0.35 (180deg=0.0796) USER MOD Single : A 111 GLN : amide:sc= 0.0124 X(o=0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 10.584 -2.922 6.985 1.00 3.85 N ATOM 109 CA ARG A 9 9.472 -2.083 6.547 1.00 3.14 C ATOM 110 C ARG A 9 9.797 -0.617 6.750 1.00 2.98 C ATOM 111 O ARG A 9 9.411 -0.018 7.762 1.00 3.23 O ATOM 112 CB ARG A 9 8.192 -2.435 7.304 1.00 2.97 C ATOM 113 CG ARG A 9 7.855 -3.910 7.286 1.00 3.11 C ATOM 114 CD ARG A 9 6.783 -4.210 8.302 1.00 3.35 C ATOM 115 NE ARG A 9 7.147 -3.716 9.626 1.00 3.78 N ATOM 116 CZ ARG A 9 6.413 -3.917 10.711 1.00 4.27 C ATOM 117 NH1 ARG A 9 5.648 -5.006 10.763 1.00 4.46 N ATOM 118 NH2 ARG A 9 6.773 -3.323 11.841 1.00 4.95 N ATOM 0 HA ARG A 9 9.314 -2.269 5.485 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.292 -2.108 8.339 1.00 2.97 H new ATOM 0 HB3 ARG A 9 7.361 -1.877 6.872 1.00 2.97 H new ATOM 0 HG2 ARG A 9 7.516 -4.201 6.292 1.00 3.11 H new ATOM 0 HG3 ARG A 9 8.747 -4.497 7.503 1.00 3.11 H new ATOM 0 HD2 ARG A 9 5.844 -3.753 7.988 1.00 3.35 H new ATOM 0 HD3 ARG A 9 6.615 -5.286 8.348 1.00 3.35 H new ATOM 0 HE ARG A 9 8.014 -3.187 9.722 1.00 3.78 H new ATOM 0 HH11 ARG A 9 5.638 -5.660 9.980 1.00 4.46 H new ATOM 0 HH12 ARG A 9 5.073 -5.186 11.586 1.00 4.46 H new ATOM 0 HH21 ARG A 9 7.600 -2.726 11.862 1.00 4.95 H new ATOM 0 HH22 ARG A 9 6.223 -3.463 12.689 1.00 4.95 H new ATOM 132 N ILE A 10 10.509 -0.053 5.783 1.00 2.78 N ATOM 133 CA ILE A 10 10.910 1.341 5.839 1.00 2.70 C ATOM 134 C ILE A 10 9.712 2.263 6.089 1.00 2.20 C ATOM 135 O ILE A 10 9.790 3.149 6.933 1.00 2.49 O ATOM 136 CB ILE A 10 11.674 1.750 4.563 1.00 2.80 C ATOM 137 CG1 ILE A 10 12.050 3.235 4.613 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.869 1.440 3.306 1.00 2.55 C ATOM 139 CD1 ILE A 10 13.107 3.568 5.647 1.00 3.25 C ATOM 0 H ILE A 10 10.821 -0.546 4.946 1.00 2.78 H new ATOM 0 HA ILE A 10 11.588 1.454 6.685 1.00 2.70 H new ATOM 0 HB ILE A 10 12.590 1.161 4.521 1.00 2.80 H new ATOM 0 HG12 ILE A 10 12.408 3.542 3.630 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.154 3.819 4.823 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.438 1.741 2.426 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.666 0.370 3.258 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.926 1.987 3.333 1.00 2.55 H new ATOM 0 HD11 ILE A 10 13.318 4.637 5.620 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.745 3.294 6.638 1.00 3.25 H new ATOM 0 HD13 ILE A 10 14.019 3.013 5.427 1.00 3.25 H new ATOM 151 N ILE A 11 8.598 2.030 5.398 1.00 1.98 N ATOM 152 CA ILE A 11 7.403 2.831 5.623 1.00 1.56 C ATOM 153 C ILE A 11 6.378 2.011 6.377 1.00 1.31 C ATOM 154 O ILE A 11 6.321 2.063 7.605 1.00 1.71 O ATOM 155 CB ILE A 11 6.763 3.383 4.327 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.783 4.222 3.562 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.523 4.225 4.657 1.00 1.05 C ATOM 158 CD1 ILE A 11 7.275 4.738 2.242 1.00 2.05 C ATOM 0 H ILE A 11 8.500 1.304 4.688 1.00 1.98 H new ATOM 0 HA ILE A 11 7.721 3.696 6.205 1.00 1.56 H new ATOM 0 HB ILE A 11 6.453 2.544 3.703 1.00 1.37 H new ATOM 0 HG12 ILE A 11 8.082 5.067 4.181 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.676 3.622 3.388 1.00 1.94 H new ATOM 0 HG21 ILE A 11 5.085 4.605 3.734 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.792 3.607 5.178 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.810 5.062 5.294 1.00 1.05 H new ATOM 0 HD11 ILE A 11 8.055 5.325 1.756 1.00 2.05 H new ATOM 0 HD12 ILE A 11 7.002 3.898 1.603 1.00 2.05 H new ATOM 0 HD13 ILE A 11 6.400 5.365 2.409 1.00 2.05 H new ATOM 170 N ARG A 12 5.571 1.244 5.657 1.00 0.96 N ATOM 171 CA ARG A 12 4.558 0.434 6.297 1.00 1.02 C ATOM 172 C ARG A 12 4.289 -0.837 5.535 1.00 0.77 C ATOM 173 O ARG A 12 4.796 -1.047 4.436 1.00 0.91 O ATOM 174 CB ARG A 12 3.273 1.241 6.430 1.00 1.53 C ATOM 175 CG ARG A 12 3.137 1.898 7.780 1.00 2.10 C ATOM 176 CD ARG A 12 2.797 0.872 8.850 1.00 2.67 C ATOM 177 NE ARG A 12 2.904 1.419 10.199 1.00 3.29 N ATOM 178 CZ ARG A 12 2.122 2.380 10.680 1.00 3.98 C ATOM 179 NH1 ARG A 12 1.060 2.769 9.996 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.324 2.860 11.895 1.00 4.72 N ATOM 0 H ARG A 12 5.601 1.169 4.640 1.00 0.96 H new ATOM 0 HA ARG A 12 4.927 0.152 7.283 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.247 2.006 5.654 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.418 0.586 6.261 1.00 1.53 H new ATOM 0 HG2 ARG A 12 4.067 2.404 8.038 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.359 2.661 7.741 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.783 0.505 8.689 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.465 0.016 8.754 1.00 2.67 H new ATOM 0 HE ARG A 12 3.625 1.039 10.812 1.00 3.29 H new ATOM 0 HH11 ARG A 12 0.842 2.332 9.101 1.00 4.30 H new ATOM 0 HH12 ARG A 12 0.459 3.506 10.364 1.00 4.30 H new ATOM 0 HH21 ARG A 12 3.083 2.493 12.469 1.00 4.72 H new ATOM 0 HH22 ARG A 12 1.721 3.598 12.259 1.00 4.72 H new ATOM 194 N HIS A 13 3.471 -1.674 6.141 1.00 0.70 N ATOM 195 CA HIS A 13 3.085 -2.959 5.563 1.00 0.68 C ATOM 196 C HIS A 13 1.879 -3.522 6.318 1.00 0.74 C ATOM 197 O HIS A 13 1.885 -3.571 7.550 1.00 1.04 O ATOM 198 CB HIS A 13 4.296 -3.927 5.595 1.00 0.93 C ATOM 199 CG HIS A 13 3.985 -5.353 5.976 1.00 1.07 C ATOM 200 ND1 HIS A 13 3.600 -5.731 7.249 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.008 -6.489 5.245 1.00 1.46 C ATOM 202 CE1 HIS A 13 3.407 -7.035 7.282 1.00 1.98 C ATOM 203 NE2 HIS A 13 3.644 -7.520 6.079 1.00 1.80 N ATOM 0 H HIS A 13 3.050 -1.488 7.051 1.00 0.70 H new ATOM 0 HA HIS A 13 2.791 -2.830 4.521 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.763 -3.927 4.610 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.032 -3.535 6.297 1.00 0.93 H new ATOM 0 HD1 HIS A 13 3.483 -5.099 8.041 1.00 1.69 H new ATOM 0 HD2 HIS A 13 4.265 -6.572 4.199 1.00 1.46 H new ATOM 0 HE1 HIS A 13 3.106 -7.608 8.147 1.00 1.98 H new ATOM 212 N ASP A 14 0.848 -3.925 5.584 1.00 0.60 N ATOM 213 CA ASP A 14 -0.368 -4.475 6.201 1.00 0.69 C ATOM 214 C ASP A 14 -1.169 -5.279 5.171 1.00 0.61 C ATOM 215 O ASP A 14 -0.779 -5.364 4.009 1.00 0.86 O ATOM 216 CB ASP A 14 -1.241 -3.358 6.805 1.00 0.83 C ATOM 217 CG ASP A 14 -2.217 -3.877 7.841 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.083 -5.045 8.253 1.00 1.78 O ATOM 219 OD2 ASP A 14 -3.121 -3.122 8.253 1.00 2.03 O ATOM 0 H ASP A 14 0.823 -3.884 4.565 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.065 -5.139 7.010 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.598 -2.606 7.262 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.794 -2.862 6.007 1.00 0.83 H new ATOM 224 N ALA A 15 -2.278 -5.866 5.600 1.00 0.75 N ATOM 225 CA ALA A 15 -3.122 -6.662 4.715 1.00 0.71 C ATOM 226 C ALA A 15 -4.544 -6.130 4.698 1.00 0.68 C ATOM 227 O ALA A 15 -5.257 -6.209 5.695 1.00 0.88 O ATOM 228 CB ALA A 15 -3.116 -8.117 5.144 1.00 0.84 C ATOM 0 H ALA A 15 -2.617 -5.806 6.560 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.715 -6.589 3.706 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.750 -8.697 4.473 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.098 -8.504 5.105 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.496 -8.198 6.163 1.00 0.84 H new ATOM 234 N PHE A 16 -4.953 -5.597 3.559 1.00 0.60 N ATOM 235 CA PHE A 16 -6.298 -5.057 3.419 1.00 0.67 C ATOM 236 C PHE A 16 -7.100 -5.840 2.394 1.00 0.68 C ATOM 237 O PHE A 16 -6.628 -6.084 1.286 1.00 1.00 O ATOM 238 CB PHE A 16 -6.261 -3.590 2.987 1.00 0.77 C ATOM 239 CG PHE A 16 -5.517 -2.689 3.925 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.973 -2.480 5.214 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.366 -2.040 3.508 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.292 -1.644 6.076 1.00 2.36 C ATOM 243 CE2 PHE A 16 -3.680 -1.203 4.365 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.146 -1.002 5.651 1.00 2.35 C ATOM 0 H PHE A 16 -4.377 -5.526 2.720 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.774 -5.139 4.396 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.803 -3.526 2.000 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.284 -3.227 2.888 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -6.872 -2.976 5.550 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.002 -2.190 2.502 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -5.655 -1.492 7.082 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -2.781 -0.706 4.032 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.614 -0.344 6.322 1.00 2.35 H new ATOM 254 N GLN A 17 -8.322 -6.193 2.751 1.00 0.59 N ATOM 255 CA GLN A 17 -9.214 -6.905 1.847 1.00 0.60 C ATOM 256 C GLN A 17 -10.211 -5.902 1.310 1.00 0.64 C ATOM 257 O GLN A 17 -11.069 -5.402 2.039 1.00 0.95 O ATOM 258 CB GLN A 17 -9.922 -8.059 2.556 1.00 0.74 C ATOM 259 CG GLN A 17 -10.736 -8.930 1.618 1.00 1.07 C ATOM 260 CD GLN A 17 -11.448 -10.047 2.350 1.00 1.26 C ATOM 261 OE1 GLN A 17 -12.340 -9.798 3.161 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.060 -11.279 2.079 1.00 1.63 N ATOM 0 H GLN A 17 -8.724 -5.997 3.668 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.644 -7.349 1.031 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.179 -8.676 3.061 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.578 -7.655 3.327 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.469 -8.314 1.097 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.080 -9.356 0.859 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.317 -11.442 1.400 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.504 -12.068 2.549 1.00 1.63 H new ATOM 271 N VAL A 18 -10.046 -5.544 0.050 1.00 0.51 N ATOM 272 CA VAL A 18 -10.889 -4.534 -0.559 1.00 0.59 C ATOM 273 C VAL A 18 -11.267 -4.875 -1.987 1.00 0.60 C ATOM 274 O VAL A 18 -10.753 -5.814 -2.583 1.00 1.04 O ATOM 275 CB VAL A 18 -10.187 -3.170 -0.570 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.164 -2.092 -0.149 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.957 -3.167 0.332 1.00 0.84 C ATOM 0 H VAL A 18 -9.338 -5.937 -0.570 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.794 -4.497 0.047 1.00 0.59 H new ATOM 0 HB VAL A 18 -9.844 -2.967 -1.585 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.663 -1.124 -0.157 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.005 -2.072 -0.843 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.528 -2.303 0.856 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.485 -2.185 0.300 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.256 -3.393 1.356 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.250 -3.921 -0.014 1.00 0.84 H new ATOM 287 N TRP A 19 -12.173 -4.091 -2.518 1.00 0.63 N ATOM 288 CA TRP A 19 -12.665 -4.268 -3.866 1.00 0.65 C ATOM 289 C TRP A 19 -11.730 -3.641 -4.897 1.00 0.68 C ATOM 290 O TRP A 19 -11.626 -2.417 -4.964 1.00 1.04 O ATOM 291 CB TRP A 19 -14.028 -3.598 -3.962 1.00 0.72 C ATOM 292 CG TRP A 19 -14.943 -3.981 -2.850 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.762 -5.064 -2.810 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.114 -3.298 -1.599 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.444 -5.093 -1.626 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.067 -4.027 -0.867 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.561 -2.149 -1.020 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.487 -3.645 0.395 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.981 -1.775 0.239 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.934 -2.525 0.935 1.00 0.96 C ATOM 0 H TRP A 19 -12.595 -3.305 -2.024 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.728 -5.335 -4.079 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.896 -2.516 -3.961 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.490 -3.862 -4.913 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.860 -5.795 -3.599 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.127 -5.800 -1.354 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.820 -1.568 -1.549 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.229 -4.216 0.933 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.567 -0.888 0.695 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.238 -2.209 1.922 1.00 0.96 H new ATOM 311 N GLU A 20 -11.020 -4.462 -5.671 1.00 0.69 N ATOM 312 CA GLU A 20 -10.080 -3.947 -6.669 1.00 0.77 C ATOM 313 C GLU A 20 -10.826 -3.450 -7.897 1.00 1.18 C ATOM 314 O GLU A 20 -12.054 -3.379 -7.890 1.00 1.81 O ATOM 315 CB GLU A 20 -9.130 -5.065 -7.113 1.00 1.04 C ATOM 316 CG GLU A 20 -7.671 -4.774 -6.836 1.00 1.26 C ATOM 317 CD GLU A 20 -7.274 -3.388 -7.280 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.369 -3.098 -8.490 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.892 -2.581 -6.410 1.00 2.62 O ATOM 0 H GLU A 20 -11.076 -5.480 -5.628 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.522 -3.127 -6.217 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.409 -5.989 -6.606 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.260 -5.236 -8.182 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.477 -4.882 -5.769 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.051 -5.510 -7.349 1.00 1.26 H new ATOM 326 N GLY A 21 -10.061 -3.092 -8.924 1.00 1.49 N ATOM 327 CA GLY A 21 -10.619 -2.586 -10.170 1.00 1.95 C ATOM 328 C GLY A 21 -11.794 -3.378 -10.695 1.00 2.05 C ATOM 329 O GLY A 21 -11.610 -4.388 -11.388 1.00 2.48 O ATOM 0 H GLY A 21 -9.042 -3.145 -8.915 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -10.931 -1.552 -10.021 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -9.835 -2.576 -10.927 1.00 1.95 H new ATOM 333 N ASP A 22 -12.994 -2.905 -10.357 1.00 2.34 N ATOM 334 CA ASP A 22 -14.262 -3.515 -10.765 1.00 2.75 C ATOM 335 C ASP A 22 -14.524 -4.849 -10.051 1.00 2.43 C ATOM 336 O ASP A 22 -15.657 -5.127 -9.644 1.00 2.85 O ATOM 337 CB ASP A 22 -14.307 -3.709 -12.285 1.00 3.62 C ATOM 338 CG ASP A 22 -15.657 -4.194 -12.773 1.00 4.19 C ATOM 339 OD1 ASP A 22 -16.658 -3.478 -12.569 1.00 4.65 O ATOM 340 OD2 ASP A 22 -15.726 -5.296 -13.358 1.00 4.60 O ATOM 0 H ASP A 22 -13.115 -2.072 -9.781 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.054 -2.826 -10.470 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -14.066 -2.766 -12.775 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -13.540 -4.426 -12.579 1.00 3.62 H new ATOM 345 N GLU A 23 -13.487 -5.672 -9.935 1.00 2.07 N ATOM 346 CA GLU A 23 -13.580 -7.000 -9.317 1.00 2.37 C ATOM 347 C GLU A 23 -14.010 -6.969 -7.843 1.00 1.70 C ATOM 348 O GLU A 23 -13.993 -5.926 -7.180 1.00 1.86 O ATOM 349 CB GLU A 23 -12.226 -7.730 -9.451 1.00 3.34 C ATOM 350 CG GLU A 23 -11.822 -8.021 -10.882 1.00 4.22 C ATOM 351 CD GLU A 23 -10.633 -8.952 -10.960 1.00 5.12 C ATOM 352 OE1 GLU A 23 -10.755 -10.116 -10.521 1.00 5.78 O ATOM 353 OE2 GLU A 23 -9.558 -8.523 -11.435 1.00 5.52 O ATOM 0 H GLU A 23 -12.551 -5.440 -10.267 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.363 -7.536 -9.853 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -11.451 -7.125 -8.981 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -12.275 -8.669 -8.900 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -12.664 -8.464 -11.413 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -11.583 -7.086 -11.388 1.00 4.22 H new ATOM 360 N PRO A 24 -14.427 -8.142 -7.332 1.00 1.42 N ATOM 361 CA PRO A 24 -14.889 -8.326 -5.942 1.00 1.17 C ATOM 362 C PRO A 24 -13.799 -8.080 -4.888 1.00 0.97 C ATOM 363 O PRO A 24 -12.639 -7.821 -5.222 1.00 1.08 O ATOM 364 CB PRO A 24 -15.316 -9.799 -5.910 1.00 1.65 C ATOM 365 CG PRO A 24 -14.579 -10.443 -7.030 1.00 2.09 C ATOM 366 CD PRO A 24 -14.506 -9.405 -8.095 1.00 2.00 C ATOM 0 HA PRO A 24 -15.675 -7.613 -5.694 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -15.064 -10.261 -4.956 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.394 -9.899 -6.038 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -13.583 -10.757 -6.717 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.098 -11.334 -7.383 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.634 -9.544 -8.734 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.383 -9.430 -8.742 1.00 2.00 H new ATOM 374 N PRO A 25 -14.167 -8.139 -3.587 1.00 0.88 N ATOM 375 CA PRO A 25 -13.225 -7.905 -2.487 1.00 0.77 C ATOM 376 C PRO A 25 -12.074 -8.917 -2.419 1.00 0.74 C ATOM 377 O PRO A 25 -12.241 -10.064 -1.999 1.00 0.92 O ATOM 378 CB PRO A 25 -14.099 -8.001 -1.237 1.00 0.92 C ATOM 379 CG PRO A 25 -15.262 -8.823 -1.658 1.00 1.08 C ATOM 380 CD PRO A 25 -15.528 -8.410 -3.070 1.00 1.09 C ATOM 0 HA PRO A 25 -12.721 -6.946 -2.609 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.561 -8.468 -0.412 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.413 -7.015 -0.896 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.039 -9.888 -1.592 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.128 -8.639 -1.022 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.028 -9.197 -3.635 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.165 -7.527 -3.121 1.00 1.09 H new ATOM 388 N LYS A 26 -10.903 -8.446 -2.804 1.00 0.65 N ATOM 389 CA LYS A 26 -9.685 -9.236 -2.775 1.00 0.73 C ATOM 390 C LYS A 26 -8.806 -8.779 -1.624 1.00 0.66 C ATOM 391 O LYS A 26 -8.868 -7.620 -1.216 1.00 0.88 O ATOM 392 CB LYS A 26 -8.899 -9.072 -4.074 1.00 0.95 C ATOM 393 CG LYS A 26 -9.553 -9.679 -5.293 1.00 1.34 C ATOM 394 CD LYS A 26 -8.697 -9.407 -6.521 1.00 1.42 C ATOM 395 CE LYS A 26 -9.169 -10.142 -7.761 1.00 1.61 C ATOM 396 NZ LYS A 26 -8.268 -9.875 -8.923 1.00 2.20 N ATOM 0 H LYS A 26 -10.768 -7.496 -3.149 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.965 -10.282 -2.651 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.742 -8.009 -4.255 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.915 -9.522 -3.945 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -9.677 -10.753 -5.155 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.549 -9.258 -5.431 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -8.694 -8.336 -6.722 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.667 -9.694 -6.308 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.202 -11.213 -7.562 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.185 -9.832 -8.006 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -8.758 -10.123 -9.806 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.013 -8.867 -8.940 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.405 -10.449 -8.832 1.00 2.20 H new ATOM 410 N LEU A 27 -7.964 -9.661 -1.125 1.00 0.67 N ATOM 411 CA LEU A 27 -7.058 -9.320 -0.045 1.00 0.65 C ATOM 412 C LEU A 27 -5.735 -8.879 -0.652 1.00 0.67 C ATOM 413 O LEU A 27 -5.266 -9.486 -1.606 1.00 1.02 O ATOM 414 CB LEU A 27 -6.859 -10.546 0.859 1.00 0.76 C ATOM 415 CG LEU A 27 -6.004 -10.331 2.104 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.486 -9.133 2.898 1.00 1.31 C ATOM 417 CD2 LEU A 27 -6.048 -11.579 2.972 1.00 1.23 C ATOM 0 H LEU A 27 -7.888 -10.624 -1.452 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.466 -8.510 0.560 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.840 -10.903 1.174 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.407 -11.340 0.265 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.979 -10.137 1.789 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.858 -9.004 3.780 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.429 -8.238 2.278 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.518 -9.294 3.208 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -5.437 -11.425 3.861 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -7.077 -11.780 3.269 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -5.661 -12.428 2.408 1.00 1.23 H new ATOM 429 N ARG A 28 -5.147 -7.810 -0.139 1.00 0.57 N ATOM 430 CA ARG A 28 -3.895 -7.321 -0.693 1.00 0.59 C ATOM 431 C ARG A 28 -2.915 -6.952 0.403 1.00 0.55 C ATOM 432 O ARG A 28 -3.264 -6.253 1.362 1.00 0.64 O ATOM 433 CB ARG A 28 -4.104 -6.096 -1.586 1.00 0.71 C ATOM 434 CG ARG A 28 -5.371 -6.134 -2.413 1.00 1.41 C ATOM 435 CD ARG A 28 -6.501 -5.420 -1.689 1.00 1.72 C ATOM 436 NE ARG A 28 -6.902 -4.192 -2.359 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.635 -4.173 -3.458 1.00 2.42 C ATOM 438 NH1 ARG A 28 -8.294 -5.267 -3.817 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.961 -3.015 -3.999 1.00 3.18 N ATOM 0 H ARG A 28 -5.509 -7.272 0.648 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.490 -8.136 -1.293 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.120 -5.204 -0.960 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.250 -6.000 -2.256 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.195 -5.662 -3.380 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.653 -7.168 -2.609 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -7.360 -6.087 -1.615 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.188 -5.189 -0.671 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.602 -3.302 -1.961 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -8.231 -6.110 -3.247 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.863 -5.265 -4.663 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.647 -2.145 -3.569 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.527 -2.990 -4.847 1.00 3.18 H new ATOM 453 N TYR A 29 -1.689 -7.412 0.238 1.00 0.55 N ATOM 454 CA TYR A 29 -0.622 -7.125 1.181 1.00 0.59 C ATOM 455 C TYR A 29 0.150 -5.907 0.689 1.00 0.55 C ATOM 456 O TYR A 29 1.126 -6.028 -0.053 1.00 0.70 O ATOM 457 CB TYR A 29 0.319 -8.324 1.324 1.00 0.71 C ATOM 458 CG TYR A 29 -0.333 -9.590 1.830 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.617 -9.594 2.371 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.343 -10.794 1.751 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.188 -10.761 2.839 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.222 -11.964 2.219 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.491 -11.945 2.750 1.00 1.26 C ATOM 464 OH TYR A 29 -2.053 -13.105 3.223 1.00 1.58 O ATOM 0 H TYR A 29 -1.404 -7.993 -0.550 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.054 -6.923 2.161 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.772 -8.529 0.354 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.128 -8.053 2.003 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.174 -8.670 2.425 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.331 -10.820 1.315 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.177 -10.745 3.273 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.330 -12.891 2.168 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.432 -13.850 3.084 1.00 1.58 H new ATOM 474 N VAL A 30 -0.335 -4.737 1.063 1.00 0.48 N ATOM 475 CA VAL A 30 0.256 -3.473 0.644 1.00 0.48 C ATOM 476 C VAL A 30 1.613 -3.235 1.324 1.00 0.49 C ATOM 477 O VAL A 30 1.709 -3.234 2.554 1.00 0.59 O ATOM 478 CB VAL A 30 -0.702 -2.289 0.954 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.201 -1.008 0.304 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.120 -2.593 0.476 1.00 0.65 C ATOM 0 H VAL A 30 -1.151 -4.633 1.667 1.00 0.48 H new ATOM 0 HA VAL A 30 0.417 -3.530 -0.433 1.00 0.48 H new ATOM 0 HB VAL A 30 -0.722 -2.152 2.035 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -0.886 -0.192 0.533 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.791 -0.769 0.688 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.148 -1.145 -0.776 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -2.770 -1.749 0.705 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.112 -2.763 -0.601 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.491 -3.484 0.982 1.00 0.65 H new ATOM 490 N PHE A 31 2.659 -3.059 0.517 1.00 0.49 N ATOM 491 CA PHE A 31 4.008 -2.841 1.041 1.00 0.54 C ATOM 492 C PHE A 31 4.574 -1.505 0.574 1.00 0.52 C ATOM 493 O PHE A 31 4.997 -1.395 -0.573 1.00 0.56 O ATOM 494 CB PHE A 31 4.964 -3.925 0.539 1.00 0.61 C ATOM 495 CG PHE A 31 4.483 -5.328 0.692 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.269 -5.879 1.942 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.266 -6.107 -0.430 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.839 -7.183 2.068 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.835 -7.409 -0.307 1.00 1.49 C ATOM 500 CZ PHE A 31 3.629 -7.950 0.944 1.00 0.85 C ATOM 0 H PHE A 31 2.599 -3.063 -0.501 1.00 0.49 H new ATOM 0 HA PHE A 31 3.927 -2.862 2.128 1.00 0.54 H new ATOM 0 HB2 PHE A 31 5.170 -3.743 -0.516 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.910 -3.824 1.070 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.440 -5.283 2.827 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.436 -5.690 -1.412 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.667 -7.603 3.048 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.659 -8.006 -1.190 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.303 -8.975 1.042 1.00 0.85 H new ATOM 510 N LEU A 32 4.636 -0.504 1.431 1.00 0.57 N ATOM 511 CA LEU A 32 5.204 0.764 1.002 1.00 0.59 C ATOM 512 C LEU A 32 6.676 0.820 1.358 1.00 0.67 C ATOM 513 O LEU A 32 7.051 0.701 2.528 1.00 0.84 O ATOM 514 CB LEU A 32 4.498 1.963 1.613 1.00 0.74 C ATOM 515 CG LEU A 32 3.145 1.702 2.276 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.757 2.911 3.107 1.00 1.10 C ATOM 517 CD2 LEU A 32 2.078 1.392 1.233 1.00 1.43 C ATOM 0 H LEU A 32 4.312 -0.537 2.398 1.00 0.57 H new ATOM 0 HA LEU A 32 5.069 0.817 -0.078 1.00 0.59 H new ATOM 0 HB2 LEU A 32 5.161 2.405 2.357 1.00 0.74 H new ATOM 0 HB3 LEU A 32 4.355 2.708 0.830 1.00 0.74 H new ATOM 0 HG LEU A 32 3.226 0.831 2.926 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.793 2.731 3.583 1.00 1.10 H new ATOM 0 HD12 LEU A 32 3.513 3.084 3.873 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.686 3.788 2.463 1.00 1.10 H new ATOM 0 HD21 LEU A 32 1.125 1.210 1.730 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.977 2.238 0.553 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.368 0.506 0.669 1.00 1.43 H new ATOM 529 N PHE A 33 7.505 0.991 0.345 1.00 0.75 N ATOM 530 CA PHE A 33 8.942 1.049 0.533 1.00 0.96 C ATOM 531 C PHE A 33 9.537 2.232 -0.226 1.00 1.08 C ATOM 532 O PHE A 33 9.666 2.203 -1.452 1.00 1.56 O ATOM 533 CB PHE A 33 9.605 -0.273 0.098 1.00 1.17 C ATOM 534 CG PHE A 33 9.510 -1.381 1.138 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.285 -1.908 1.528 1.00 1.79 C ATOM 536 CD2 PHE A 33 10.656 -1.886 1.730 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.206 -2.904 2.483 1.00 2.06 C ATOM 538 CE2 PHE A 33 10.581 -2.886 2.683 1.00 2.28 C ATOM 539 CZ PHE A 33 9.354 -3.397 3.056 1.00 2.01 C ATOM 0 H PHE A 33 7.204 1.093 -0.624 1.00 0.75 H new ATOM 0 HA PHE A 33 9.142 1.192 1.595 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.140 -0.615 -0.827 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.655 -0.086 -0.124 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.378 -1.533 1.077 1.00 1.79 H new ATOM 0 HD2 PHE A 33 11.621 -1.494 1.444 1.00 2.01 H new ATOM 0 HE1 PHE A 33 7.243 -3.294 2.779 1.00 2.06 H new ATOM 0 HE2 PHE A 33 11.484 -3.268 3.136 1.00 2.28 H new ATOM 0 HZ PHE A 33 9.296 -4.182 3.796 1.00 2.01 H new ATOM 549 N ARG A 34 9.897 3.260 0.536 1.00 1.04 N ATOM 550 CA ARG A 34 10.500 4.490 0.024 1.00 1.17 C ATOM 551 C ARG A 34 9.578 5.284 -0.903 1.00 1.03 C ATOM 552 O ARG A 34 8.682 5.989 -0.443 1.00 1.87 O ATOM 553 CB ARG A 34 11.846 4.206 -0.656 1.00 1.83 C ATOM 554 CG ARG A 34 12.911 3.710 0.312 1.00 2.51 C ATOM 555 CD ARG A 34 14.312 3.773 -0.279 1.00 3.05 C ATOM 556 NE ARG A 34 14.518 2.836 -1.382 1.00 3.66 N ATOM 557 CZ ARG A 34 14.196 3.081 -2.653 1.00 4.29 C ATOM 558 NH1 ARG A 34 13.934 4.322 -3.046 1.00 4.48 N ATOM 559 NH2 ARG A 34 14.415 2.146 -3.565 1.00 5.12 N ATOM 0 H ARG A 34 9.776 3.263 1.549 1.00 1.04 H new ATOM 0 HA ARG A 34 10.672 5.122 0.895 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.701 3.462 -1.439 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.200 5.115 -1.142 1.00 1.83 H new ATOM 0 HG2 ARG A 34 12.877 4.309 1.222 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.687 2.682 0.598 1.00 2.51 H new ATOM 0 HD2 ARG A 34 14.505 4.786 -0.632 1.00 3.05 H new ATOM 0 HD3 ARG A 34 15.039 3.565 0.506 1.00 3.05 H new ATOM 0 HE ARG A 34 14.937 1.932 -1.165 1.00 3.66 H new ATOM 0 HH11 ARG A 34 13.979 5.089 -2.376 1.00 4.48 H new ATOM 0 HH12 ARG A 34 13.688 4.508 -4.018 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.825 1.253 -3.292 1.00 5.12 H new ATOM 0 HH22 ARG A 34 14.174 2.319 -4.541 1.00 5.12 H new ATOM 573 N ASN A 35 9.833 5.221 -2.199 1.00 0.98 N ATOM 574 CA ASN A 35 9.059 5.990 -3.167 1.00 1.38 C ATOM 575 C ASN A 35 8.103 5.120 -3.974 1.00 1.09 C ATOM 576 O ASN A 35 7.593 5.558 -5.007 1.00 1.24 O ATOM 577 CB ASN A 35 10.007 6.719 -4.125 1.00 2.08 C ATOM 578 CG ASN A 35 10.881 7.745 -3.445 1.00 2.84 C ATOM 579 OD1 ASN A 35 11.703 7.416 -2.585 1.00 3.26 O ATOM 580 ND2 ASN A 35 10.726 8.996 -3.840 1.00 3.64 N ATOM 0 H ASN A 35 10.569 4.646 -2.608 1.00 0.98 H new ATOM 0 HA ASN A 35 8.460 6.705 -2.603 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.642 5.986 -4.623 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.419 7.211 -4.900 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.298 9.735 -3.431 1.00 3.64 H new ATOM 0 HD22 ASN A 35 10.034 9.223 -4.554 1.00 3.64 H new ATOM 587 N LYS A 36 7.855 3.899 -3.517 1.00 0.89 N ATOM 588 CA LYS A 36 6.947 3.012 -4.237 1.00 0.69 C ATOM 589 C LYS A 36 6.224 2.066 -3.279 1.00 0.66 C ATOM 590 O LYS A 36 6.659 1.843 -2.146 1.00 0.77 O ATOM 591 CB LYS A 36 7.703 2.238 -5.331 1.00 0.80 C ATOM 592 CG LYS A 36 8.848 1.391 -4.811 1.00 1.05 C ATOM 593 CD LYS A 36 8.449 -0.057 -4.595 1.00 1.32 C ATOM 594 CE LYS A 36 9.556 -0.795 -3.857 1.00 1.84 C ATOM 595 NZ LYS A 36 9.287 -2.247 -3.707 1.00 2.23 N ATOM 0 H LYS A 36 8.260 3.505 -2.668 1.00 0.89 H new ATOM 0 HA LYS A 36 6.186 3.623 -4.723 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.999 1.594 -5.858 1.00 0.80 H new ATOM 0 HB3 LYS A 36 8.093 2.948 -6.060 1.00 0.80 H new ATOM 0 HG2 LYS A 36 9.677 1.434 -5.517 1.00 1.05 H new ATOM 0 HG3 LYS A 36 9.207 1.809 -3.871 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.523 -0.106 -4.023 1.00 1.32 H new ATOM 0 HD3 LYS A 36 8.257 -0.537 -5.554 1.00 1.32 H new ATOM 0 HE2 LYS A 36 10.495 -0.659 -4.393 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.685 -0.351 -2.870 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.067 -2.692 -3.182 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.397 -2.383 -3.186 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 9.208 -2.684 -4.647 1.00 2.23 H new ATOM 609 N ILE A 37 5.105 1.533 -3.736 1.00 0.61 N ATOM 610 CA ILE A 37 4.286 0.632 -2.939 1.00 0.60 C ATOM 611 C ILE A 37 4.128 -0.709 -3.645 1.00 0.54 C ATOM 612 O ILE A 37 3.370 -0.816 -4.597 1.00 0.75 O ATOM 613 CB ILE A 37 2.883 1.237 -2.729 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.973 2.550 -1.951 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.973 0.249 -2.006 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.639 3.254 -1.794 1.00 1.01 C ATOM 0 H ILE A 37 4.737 1.712 -4.670 1.00 0.61 H new ATOM 0 HA ILE A 37 4.781 0.488 -1.979 1.00 0.60 H new ATOM 0 HB ILE A 37 2.453 1.447 -3.708 1.00 0.73 H new ATOM 0 HG12 ILE A 37 3.387 2.350 -0.963 1.00 0.85 H new ATOM 0 HG13 ILE A 37 3.669 3.217 -2.459 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.988 0.695 -1.868 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.879 -0.661 -2.599 1.00 0.79 H new ATOM 0 HG23 ILE A 37 2.401 0.005 -1.033 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.779 4.178 -1.232 1.00 1.01 H new ATOM 0 HD12 ILE A 37 1.232 3.486 -2.778 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.946 2.605 -1.258 1.00 1.01 H new ATOM 628 N MET A 38 4.816 -1.740 -3.177 1.00 0.51 N ATOM 629 CA MET A 38 4.689 -3.061 -3.789 1.00 0.59 C ATOM 630 C MET A 38 3.315 -3.605 -3.520 1.00 0.60 C ATOM 631 O MET A 38 2.657 -3.216 -2.547 1.00 0.98 O ATOM 632 CB MET A 38 5.755 -4.044 -3.305 1.00 0.75 C ATOM 633 CG MET A 38 6.837 -4.329 -4.346 1.00 1.40 C ATOM 634 SD MET A 38 8.084 -5.501 -3.777 1.00 1.72 S ATOM 635 CE MET A 38 9.146 -5.605 -5.224 1.00 2.53 C ATOM 0 H MET A 38 5.460 -1.693 -2.387 1.00 0.51 H new ATOM 0 HA MET A 38 4.842 -2.942 -4.862 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.223 -3.646 -2.405 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.274 -4.982 -3.026 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.368 -4.718 -5.250 1.00 1.40 H new ATOM 0 HG3 MET A 38 7.325 -3.393 -4.618 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.835 -6.442 -5.110 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.535 -5.756 -6.114 1.00 2.53 H new ATOM 0 HE3 MET A 38 9.713 -4.680 -5.326 1.00 2.53 H new ATOM 645 N PHE A 39 2.847 -4.446 -4.415 1.00 0.61 N ATOM 646 CA PHE A 39 1.513 -4.948 -4.289 1.00 0.71 C ATOM 647 C PHE A 39 1.365 -6.404 -4.678 1.00 0.72 C ATOM 648 O PHE A 39 1.717 -6.810 -5.781 1.00 1.08 O ATOM 649 CB PHE A 39 0.626 -4.100 -5.178 1.00 1.11 C ATOM 650 CG PHE A 39 -0.741 -3.907 -4.626 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.891 -3.356 -3.375 1.00 1.32 C ATOM 652 CD2 PHE A 39 -1.862 -4.254 -5.354 1.00 1.31 C ATOM 653 CE1 PHE A 39 -2.147 -3.167 -2.840 1.00 1.66 C ATOM 654 CE2 PHE A 39 -3.127 -4.066 -4.830 1.00 1.69 C ATOM 655 CZ PHE A 39 -3.269 -3.520 -3.570 1.00 1.57 C ATOM 0 H PHE A 39 3.367 -4.788 -5.223 1.00 0.61 H new ATOM 0 HA PHE A 39 1.232 -4.890 -3.237 1.00 0.71 H new ATOM 0 HB2 PHE A 39 1.093 -3.126 -5.324 1.00 1.11 H new ATOM 0 HB3 PHE A 39 0.552 -4.568 -6.160 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.018 -3.069 -2.807 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -1.749 -4.676 -6.342 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -2.256 -2.744 -1.852 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -3.999 -4.345 -5.403 1.00 1.69 H new ATOM 0 HZ PHE A 39 -4.254 -3.368 -3.154 1.00 1.57 H new ATOM 665 N THR A 40 0.774 -7.163 -3.776 1.00 0.63 N ATOM 666 CA THR A 40 0.484 -8.559 -4.002 1.00 0.74 C ATOM 667 C THR A 40 -1.026 -8.741 -3.827 1.00 0.84 C ATOM 668 O THR A 40 -1.596 -8.291 -2.832 1.00 1.16 O ATOM 669 CB THR A 40 1.308 -9.430 -3.049 1.00 0.98 C ATOM 670 OG1 THR A 40 1.251 -8.928 -1.724 1.00 1.45 O ATOM 671 CG2 THR A 40 2.766 -9.508 -3.452 1.00 1.35 C ATOM 0 H THR A 40 0.481 -6.823 -2.860 1.00 0.63 H new ATOM 0 HA THR A 40 0.763 -8.874 -5.008 1.00 0.74 H new ATOM 0 HB THR A 40 0.869 -10.426 -3.102 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.905 -9.400 -1.167 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.306 -10.137 -2.744 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.845 -9.936 -4.451 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.198 -8.507 -3.451 1.00 1.35 H new ATOM 679 N GLU A 41 -1.676 -9.299 -4.841 1.00 1.04 N ATOM 680 CA GLU A 41 -3.130 -9.435 -4.844 1.00 1.27 C ATOM 681 C GLU A 41 -3.619 -10.869 -4.663 1.00 1.20 C ATOM 682 O GLU A 41 -3.400 -11.723 -5.516 1.00 1.66 O ATOM 683 CB GLU A 41 -3.666 -8.881 -6.169 1.00 1.89 C ATOM 684 CG GLU A 41 -5.182 -8.857 -6.261 1.00 2.55 C ATOM 685 CD GLU A 41 -5.678 -8.779 -7.690 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.341 -9.671 -8.492 1.00 3.56 O ATOM 687 OE2 GLU A 41 -6.440 -7.846 -8.017 1.00 3.46 O ATOM 0 H GLU A 41 -1.218 -9.666 -5.675 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.505 -8.876 -3.987 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.288 -7.868 -6.307 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.272 -9.482 -6.988 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -5.585 -9.753 -5.789 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -5.563 -8.003 -5.701 1.00 2.55 H new ATOM 694 N GLN A 42 -4.350 -11.095 -3.580 1.00 1.08 N ATOM 695 CA GLN A 42 -4.946 -12.387 -3.307 1.00 1.24 C ATOM 696 C GLN A 42 -6.379 -12.331 -3.832 1.00 1.37 C ATOM 697 O GLN A 42 -7.065 -11.333 -3.634 1.00 1.84 O ATOM 698 CB GLN A 42 -4.932 -12.677 -1.802 1.00 1.58 C ATOM 699 CG GLN A 42 -5.463 -14.055 -1.434 1.00 2.34 C ATOM 700 CD GLN A 42 -5.248 -14.411 0.028 1.00 2.87 C ATOM 701 OE1 GLN A 42 -5.940 -13.910 0.905 1.00 3.26 O ATOM 702 NE2 GLN A 42 -4.266 -15.262 0.304 1.00 3.46 N ATOM 0 H GLN A 42 -4.544 -10.388 -2.871 1.00 1.08 H new ATOM 0 HA GLN A 42 -4.386 -13.186 -3.793 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.911 -12.582 -1.433 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -5.527 -11.921 -1.291 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -6.529 -14.098 -1.658 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -4.975 -14.803 -2.059 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -3.709 -15.661 -0.452 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -4.069 -15.517 1.272 1.00 3.46 H new ATOM 711 N ASP A 43 -6.827 -13.363 -4.519 1.00 1.32 N ATOM 712 CA ASP A 43 -8.176 -13.359 -5.094 1.00 1.60 C ATOM 713 C ASP A 43 -9.174 -13.987 -4.138 1.00 1.62 C ATOM 714 O ASP A 43 -9.855 -14.964 -4.462 1.00 1.97 O ATOM 715 CB ASP A 43 -8.166 -14.091 -6.444 1.00 2.08 C ATOM 716 CG ASP A 43 -9.379 -13.804 -7.315 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.164 -12.889 -6.994 1.00 2.87 O ATOM 718 OD2 ASP A 43 -9.536 -14.484 -8.358 1.00 2.96 O ATOM 0 H ASP A 43 -6.290 -14.212 -4.697 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.487 -12.327 -5.259 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.265 -13.811 -6.990 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -8.108 -15.164 -6.263 1.00 2.08 H new ATOM 723 N ALA A 44 -9.235 -13.402 -2.944 1.00 1.87 N ATOM 724 CA ALA A 44 -10.118 -13.861 -1.881 1.00 2.28 C ATOM 725 C ALA A 44 -9.740 -15.274 -1.464 1.00 2.75 C ATOM 726 O ALA A 44 -8.702 -15.478 -0.836 1.00 3.39 O ATOM 727 CB ALA A 44 -11.583 -13.767 -2.298 1.00 2.82 C ATOM 0 H ALA A 44 -8.670 -12.593 -2.688 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.994 -13.207 -1.018 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -12.216 -14.117 -1.483 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -11.829 -12.731 -2.530 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -11.751 -14.386 -3.179 1.00 2.82 H new ATOM 861 N TYR A 54 2.537 -10.246 -9.326 1.00 2.10 N ATOM 862 CA TYR A 54 2.134 -8.835 -9.396 1.00 2.00 C ATOM 863 C TYR A 54 3.366 -7.919 -9.364 1.00 1.62 C ATOM 864 O TYR A 54 4.498 -8.388 -9.195 1.00 1.96 O ATOM 865 CB TYR A 54 1.136 -8.502 -8.265 1.00 2.78 C ATOM 866 CG TYR A 54 0.112 -7.426 -8.613 1.00 3.45 C ATOM 867 CD1 TYR A 54 0.442 -6.075 -8.587 1.00 3.89 C ATOM 868 CD2 TYR A 54 -1.185 -7.769 -8.993 1.00 4.24 C ATOM 869 CE1 TYR A 54 -0.477 -5.103 -8.936 1.00 4.87 C ATOM 870 CE2 TYR A 54 -2.112 -6.798 -9.337 1.00 5.15 C ATOM 871 CZ TYR A 54 -1.752 -5.467 -9.309 1.00 5.40 C ATOM 872 OH TYR A 54 -2.664 -4.497 -9.673 1.00 6.50 O ATOM 0 HA TYR A 54 1.625 -8.659 -10.343 1.00 2.00 H new ATOM 0 HB2 TYR A 54 0.605 -9.413 -7.988 1.00 2.78 H new ATOM 0 HB3 TYR A 54 1.697 -8.180 -7.388 1.00 2.78 H new ATOM 0 HD1 TYR A 54 1.437 -5.779 -8.288 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -1.472 -8.810 -9.020 1.00 4.24 H new ATOM 0 HE1 TYR A 54 -0.196 -4.060 -8.916 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -3.113 -7.083 -9.626 1.00 5.15 H new ATOM 0 HH TYR A 54 -3.516 -4.921 -9.909 1.00 6.50 H new ATOM 882 N SER A 55 3.148 -6.629 -9.552 1.00 1.34 N ATOM 883 CA SER A 55 4.223 -5.648 -9.572 1.00 1.50 C ATOM 884 C SER A 55 4.132 -4.689 -8.375 1.00 1.20 C ATOM 885 O SER A 55 3.978 -5.126 -7.231 1.00 1.33 O ATOM 886 CB SER A 55 4.166 -4.876 -10.894 1.00 2.13 C ATOM 887 OG SER A 55 2.822 -4.574 -11.245 1.00 2.61 O ATOM 0 H SER A 55 2.220 -6.230 -9.695 1.00 1.34 H new ATOM 0 HA SER A 55 5.178 -6.167 -9.492 1.00 1.50 H new ATOM 0 HB2 SER A 55 4.740 -3.953 -10.806 1.00 2.13 H new ATOM 0 HB3 SER A 55 4.629 -5.466 -11.685 1.00 2.13 H new ATOM 0 HG SER A 55 2.808 -4.080 -12.091 1.00 2.61 H new ATOM 893 N SER A 56 4.233 -3.388 -8.642 1.00 1.07 N ATOM 894 CA SER A 56 4.166 -2.377 -7.594 1.00 0.91 C ATOM 895 C SER A 56 3.261 -1.224 -8.014 1.00 0.80 C ATOM 896 O SER A 56 2.922 -1.082 -9.189 1.00 0.93 O ATOM 897 CB SER A 56 5.563 -1.819 -7.296 1.00 1.09 C ATOM 898 OG SER A 56 6.507 -2.846 -7.055 1.00 1.73 O ATOM 0 H SER A 56 4.362 -3.010 -9.581 1.00 1.07 H new ATOM 0 HA SER A 56 3.760 -2.853 -6.701 1.00 0.91 H new ATOM 0 HB2 SER A 56 5.897 -1.211 -8.137 1.00 1.09 H new ATOM 0 HB3 SER A 56 5.513 -1.162 -6.427 1.00 1.09 H new ATOM 0 HG SER A 56 7.384 -2.448 -6.871 1.00 1.73 H new ATOM 904 N ILE A 57 2.912 -0.388 -7.050 1.00 0.68 N ATOM 905 CA ILE A 57 2.085 0.780 -7.284 1.00 0.67 C ATOM 906 C ILE A 57 2.948 2.030 -7.146 1.00 0.63 C ATOM 907 O ILE A 57 3.946 2.027 -6.421 1.00 0.81 O ATOM 908 CB ILE A 57 0.875 0.797 -6.299 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.439 0.573 -7.044 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.799 2.080 -5.483 1.00 0.82 C ATOM 911 CD1 ILE A 57 -0.885 1.755 -7.876 1.00 0.81 C ATOM 0 H ILE A 57 3.197 -0.503 -6.078 1.00 0.68 H new ATOM 0 HA ILE A 57 1.673 0.751 -8.293 1.00 0.67 H new ATOM 0 HB ILE A 57 1.037 -0.024 -5.600 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.333 -0.296 -7.694 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.219 0.336 -6.320 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.062 2.036 -4.815 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.710 2.191 -4.894 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.694 2.932 -6.154 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -1.825 1.516 -8.373 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.026 2.622 -7.230 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.126 1.980 -8.625 1.00 0.81 H new ATOM 923 N ARG A 58 2.593 3.082 -7.866 1.00 0.66 N ATOM 924 CA ARG A 58 3.361 4.311 -7.830 1.00 0.73 C ATOM 925 C ARG A 58 3.067 5.117 -6.571 1.00 0.75 C ATOM 926 O ARG A 58 2.197 4.765 -5.779 1.00 0.91 O ATOM 927 CB ARG A 58 3.084 5.122 -9.093 1.00 0.96 C ATOM 928 CG ARG A 58 1.742 5.842 -9.115 1.00 1.24 C ATOM 929 CD ARG A 58 1.462 6.446 -10.488 1.00 1.86 C ATOM 930 NE ARG A 58 2.642 7.083 -11.078 1.00 2.47 N ATOM 931 CZ ARG A 58 2.655 7.660 -12.279 1.00 2.95 C ATOM 932 NH1 ARG A 58 1.517 7.965 -12.880 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.791 8.121 -12.776 1.00 3.70 N ATOM 0 H ARG A 58 1.779 3.107 -8.481 1.00 0.66 H new ATOM 0 HA ARG A 58 4.422 4.062 -7.800 1.00 0.73 H new ATOM 0 HB2 ARG A 58 3.877 5.860 -9.214 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.135 4.455 -9.953 1.00 0.96 H new ATOM 0 HG2 ARG A 58 0.947 5.143 -8.853 1.00 1.24 H new ATOM 0 HG3 ARG A 58 1.736 6.629 -8.361 1.00 1.24 H new ATOM 0 HD2 ARG A 58 1.103 5.664 -11.158 1.00 1.86 H new ATOM 0 HD3 ARG A 58 0.663 7.182 -10.400 1.00 1.86 H new ATOM 0 HE ARG A 58 3.506 7.085 -10.536 1.00 2.47 H new ATOM 0 HH11 ARG A 58 0.628 7.759 -12.424 1.00 3.22 H new ATOM 0 HH12 ARG A 58 1.528 8.407 -13.799 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.655 8.034 -12.240 1.00 3.70 H new ATOM 0 HH22 ARG A 58 3.803 8.563 -13.695 1.00 3.70 H new ATOM 947 N LEU A 59 3.793 6.205 -6.391 1.00 0.85 N ATOM 948 CA LEU A 59 3.605 7.052 -5.224 1.00 1.02 C ATOM 949 C LEU A 59 3.791 8.515 -5.621 1.00 1.15 C ATOM 950 O LEU A 59 4.048 9.382 -4.785 1.00 1.59 O ATOM 951 CB LEU A 59 4.601 6.642 -4.128 1.00 1.28 C ATOM 952 CG LEU A 59 4.288 7.124 -2.711 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.075 6.413 -2.144 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.485 6.906 -1.806 1.00 1.79 C ATOM 0 H LEU A 59 4.517 6.524 -7.035 1.00 0.85 H new ATOM 0 HA LEU A 59 2.595 6.930 -4.832 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.664 5.554 -4.113 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.587 7.014 -4.406 1.00 1.28 H new ATOM 0 HG LEU A 59 4.065 8.190 -2.762 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.878 6.777 -1.136 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.209 6.610 -2.776 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.264 5.340 -2.112 1.00 1.35 H new ATOM 0 HD21 LEU A 59 5.249 7.253 -0.800 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.729 5.844 -1.775 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.339 7.464 -2.191 1.00 1.79 H new ATOM 966 N ASP A 60 3.686 8.771 -6.923 1.00 1.13 N ATOM 967 CA ASP A 60 3.874 10.114 -7.454 1.00 1.33 C ATOM 968 C ASP A 60 2.586 10.751 -7.949 1.00 1.33 C ATOM 969 O ASP A 60 2.075 11.687 -7.336 1.00 1.56 O ATOM 970 CB ASP A 60 4.893 10.097 -8.595 1.00 1.46 C ATOM 971 CG ASP A 60 6.285 9.748 -8.124 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.882 10.541 -7.375 1.00 2.52 O ATOM 973 OD2 ASP A 60 6.786 8.670 -8.500 1.00 2.27 O ATOM 0 H ASP A 60 3.472 8.065 -7.627 1.00 1.13 H new ATOM 0 HA ASP A 60 4.239 10.718 -6.623 1.00 1.33 H new ATOM 0 HB2 ASP A 60 4.577 9.376 -9.349 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.911 11.075 -9.076 1.00 1.46 H new ATOM 978 N LYS A 61 2.095 10.305 -9.100 1.00 1.22 N ATOM 979 CA LYS A 61 0.917 10.916 -9.707 1.00 1.28 C ATOM 980 C LYS A 61 -0.393 10.225 -9.332 1.00 1.06 C ATOM 981 O LYS A 61 -1.399 10.379 -10.018 1.00 1.27 O ATOM 982 CB LYS A 61 1.103 10.924 -11.229 1.00 1.60 C ATOM 983 CG LYS A 61 0.174 11.870 -11.974 1.00 1.93 C ATOM 984 CD LYS A 61 0.453 11.880 -13.467 1.00 2.55 C ATOM 985 CE LYS A 61 -0.592 12.691 -14.213 1.00 3.16 C ATOM 986 NZ LYS A 61 -0.518 14.149 -13.916 1.00 3.92 N ATOM 0 H LYS A 61 2.491 9.528 -9.629 1.00 1.22 H new ATOM 0 HA LYS A 61 0.834 11.931 -9.319 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.134 11.195 -11.455 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.950 9.913 -11.606 1.00 1.60 H new ATOM 0 HG2 LYS A 61 -0.861 11.574 -11.800 1.00 1.93 H new ATOM 0 HG3 LYS A 61 0.288 12.879 -11.577 1.00 1.93 H new ATOM 0 HD2 LYS A 61 1.443 12.298 -13.652 1.00 2.55 H new ATOM 0 HD3 LYS A 61 0.463 10.858 -13.845 1.00 2.55 H new ATOM 0 HE2 LYS A 61 -0.466 12.537 -15.285 1.00 3.16 H new ATOM 0 HE3 LYS A 61 -1.584 12.323 -13.952 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 -1.254 14.650 -14.453 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 -0.666 14.304 -12.898 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 0.418 14.512 -14.189 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.396 9.501 -8.236 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.607 8.843 -7.787 1.00 0.69 C ATOM 1002 C TYR A 62 -2.305 9.762 -6.774 1.00 0.67 C ATOM 1003 O TYR A 62 -1.657 10.301 -5.873 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.244 7.480 -7.177 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.994 7.451 -5.692 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.040 7.228 -4.814 1.00 1.49 C ATOM 1007 CD2 TYR A 62 0.276 7.639 -5.169 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -1.835 7.203 -3.453 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.490 7.614 -3.806 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.567 7.397 -2.951 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.357 7.378 -1.595 1.00 2.21 O ATOM 0 H TYR A 62 0.419 9.352 -7.641 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.291 8.659 -8.615 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.050 6.781 -7.401 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.351 7.108 -7.680 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.035 7.071 -5.203 1.00 1.49 H new ATOM 0 HD2 TYR A 62 1.108 7.807 -5.837 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.664 7.032 -2.782 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.484 7.764 -3.411 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.329 8.297 -1.255 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.607 9.973 -6.933 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.346 10.857 -6.029 1.00 0.73 C ATOM 1023 C ASN A 63 -4.940 10.080 -4.861 1.00 0.64 C ATOM 1024 O ASN A 63 -5.863 9.296 -5.036 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.468 11.584 -6.783 1.00 0.89 C ATOM 1026 CG ASN A 63 -4.944 12.568 -7.815 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -4.150 13.451 -7.498 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -5.384 12.425 -9.055 1.00 2.13 N ATOM 0 H ASN A 63 -4.171 9.550 -7.670 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.640 11.590 -5.638 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -6.102 10.849 -7.278 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.095 12.115 -6.067 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.064 13.060 -9.786 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.043 11.680 -9.280 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.400 10.283 -3.669 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.878 9.569 -2.489 1.00 0.70 C ATOM 1037 C ILE A 64 -5.884 10.377 -1.665 1.00 0.79 C ATOM 1038 O ILE A 64 -5.700 11.566 -1.401 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.704 9.142 -1.577 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.182 8.159 -0.508 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.053 10.358 -0.939 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.695 6.857 -1.083 1.00 1.18 C ATOM 0 H ILE A 64 -3.634 10.933 -3.491 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.390 8.685 -2.870 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.957 8.639 -2.191 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -3.360 7.948 0.176 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.973 8.626 0.079 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.229 10.037 -0.301 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.672 11.018 -1.719 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.790 10.892 -0.339 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -5.019 6.204 -0.273 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.537 7.058 -1.745 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.899 6.369 -1.646 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.940 9.701 -1.239 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.975 10.303 -0.421 1.00 0.80 C ATOM 1056 C ARG A 65 -8.374 9.301 0.650 1.00 0.68 C ATOM 1057 O ARG A 65 -8.470 8.102 0.388 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.212 10.682 -1.248 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.952 11.603 -2.435 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.522 12.984 -1.988 1.00 1.78 C ATOM 1061 NE ARG A 65 -9.596 13.688 -1.285 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.660 14.221 -1.887 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.640 14.419 -3.198 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -11.608 14.789 -1.159 1.00 3.57 N ATOM 0 H ARG A 65 -7.101 8.717 -1.453 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.583 11.219 0.020 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.676 9.767 -1.616 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.935 11.163 -0.589 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.180 11.169 -3.070 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.855 11.681 -3.040 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -7.654 12.900 -1.334 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.213 13.567 -2.856 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.526 13.776 -0.271 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.814 14.164 -3.740 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.450 14.826 -3.665 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -11.523 14.818 -0.143 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -12.424 15.198 -1.614 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.554 9.777 1.857 1.00 0.82 N ATOM 1079 CA GLN A 66 -8.906 8.913 2.972 1.00 0.83 C ATOM 1080 C GLN A 66 -10.157 9.417 3.678 1.00 0.99 C ATOM 1081 O GLN A 66 -10.264 10.593 4.031 1.00 1.30 O ATOM 1082 CB GLN A 66 -7.731 8.797 3.961 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.358 10.076 4.710 1.00 1.30 C ATOM 1084 CD GLN A 66 -6.750 11.150 3.826 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.467 11.928 3.197 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -5.427 11.188 3.758 1.00 2.45 N ATOM 0 H GLN A 66 -8.463 10.763 2.100 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.120 7.920 2.576 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -7.973 8.028 4.694 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -6.854 8.451 3.414 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -8.250 10.477 5.191 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -6.652 9.829 5.503 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -4.869 10.525 4.296 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -4.966 11.881 3.168 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.101 8.513 3.854 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.365 8.815 4.507 1.00 1.14 C ATOM 1097 C HIS A 67 -12.318 8.322 5.936 1.00 1.30 C ATOM 1098 O HIS A 67 -12.324 7.115 6.173 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.520 8.125 3.780 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.710 8.584 2.366 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.263 9.799 2.015 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.368 7.984 1.206 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.248 9.919 0.703 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.712 8.832 0.189 1.00 1.61 N ATOM 0 H HIS A 67 -11.015 7.544 3.548 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.524 9.893 4.485 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.346 7.049 3.782 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.442 8.300 4.335 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -12.907 7.013 1.100 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.614 10.767 0.143 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.575 8.651 -0.806 1.00 1.61 H new ATOM 1113 N THR A 68 -12.266 9.247 6.873 1.00 1.74 N ATOM 1114 CA THR A 68 -12.212 8.889 8.274 1.00 2.04 C ATOM 1115 C THR A 68 -13.496 9.339 8.970 1.00 1.92 C ATOM 1116 O THR A 68 -14.554 9.379 8.337 1.00 2.16 O ATOM 1117 CB THR A 68 -10.982 9.513 8.925 1.00 2.74 C ATOM 1118 OG1 THR A 68 -9.988 9.787 7.948 1.00 3.12 O ATOM 1119 CG2 THR A 68 -10.362 8.619 9.976 1.00 3.23 C ATOM 0 H THR A 68 -12.260 10.250 6.689 1.00 1.74 H new ATOM 0 HA THR A 68 -12.131 7.806 8.372 1.00 2.04 H new ATOM 0 HB THR A 68 -11.327 10.430 9.402 1.00 2.74 H new ATOM 0 HG1 THR A 68 -9.206 10.189 8.381 1.00 3.12 H new ATOM 0 HG21 THR A 68 -9.491 9.113 10.406 1.00 3.23 H new ATOM 0 HG22 THR A 68 -11.091 8.421 10.761 1.00 3.23 H new ATOM 0 HG23 THR A 68 -10.057 7.678 9.519 1.00 3.23 H new ATOM 1127 N THR A 69 -13.391 9.699 10.257 1.00 2.34 N ATOM 1128 CA THR A 69 -14.519 10.169 11.059 1.00 2.58 C ATOM 1129 C THR A 69 -15.740 9.239 10.951 1.00 2.35 C ATOM 1130 O THR A 69 -15.852 8.277 11.711 1.00 2.76 O ATOM 1131 CB THR A 69 -14.862 11.619 10.688 1.00 3.11 C ATOM 1132 OG1 THR A 69 -13.696 12.422 10.701 1.00 3.61 O ATOM 1133 CG2 THR A 69 -15.866 12.264 11.621 1.00 3.69 C ATOM 0 H THR A 69 -12.511 9.670 10.771 1.00 2.34 H new ATOM 0 HA THR A 69 -14.220 10.147 12.107 1.00 2.58 H new ATOM 0 HB THR A 69 -15.303 11.563 9.693 1.00 3.11 H new ATOM 0 HG1 THR A 69 -13.930 13.343 10.461 1.00 3.61 H new ATOM 0 HG21 THR A 69 -16.059 13.287 11.297 1.00 3.69 H new ATOM 0 HG22 THR A 69 -16.796 11.696 11.604 1.00 3.69 H new ATOM 0 HG23 THR A 69 -15.466 12.274 12.635 1.00 3.69 H new ATOM 1141 N ASP A 70 -16.634 9.514 9.999 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.830 8.701 9.797 1.00 2.43 C ATOM 1143 C ASP A 70 -17.481 7.344 9.202 1.00 2.17 C ATOM 1144 O ASP A 70 -18.180 6.356 9.445 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.818 9.395 8.849 1.00 3.01 C ATOM 1146 CG ASP A 70 -18.800 10.902 8.961 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.236 11.431 10.001 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -18.334 11.566 8.012 1.00 3.96 O ATOM 0 H ASP A 70 -16.549 10.299 9.353 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.286 8.569 10.778 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.585 9.112 7.823 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.825 9.035 9.058 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.421 7.291 8.407 1.00 2.04 N ATOM 1154 CA GLU A 71 -16.026 6.044 7.770 1.00 2.00 C ATOM 1155 C GLU A 71 -14.589 5.649 8.105 1.00 1.55 C ATOM 1156 O GLU A 71 -13.927 6.268 8.938 1.00 1.90 O ATOM 1157 CB GLU A 71 -16.181 6.162 6.247 1.00 2.69 C ATOM 1158 CG GLU A 71 -17.601 6.462 5.786 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.705 6.636 4.286 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.658 6.732 3.616 1.00 4.50 O ATOM 1161 OE2 GLU A 71 -18.843 6.701 3.773 1.00 4.40 O ATOM 0 H GLU A 71 -15.825 8.089 8.190 1.00 2.04 H new ATOM 0 HA GLU A 71 -16.682 5.264 8.157 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.520 6.949 5.886 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.850 5.231 5.786 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -18.259 5.652 6.100 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -17.954 7.368 6.278 1.00 3.30 H new ATOM 1168 N ASP A 72 -14.132 4.610 7.421 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.783 4.067 7.558 1.00 1.10 C ATOM 1170 C ASP A 72 -12.430 3.449 6.213 1.00 0.90 C ATOM 1171 O ASP A 72 -12.720 2.277 5.966 1.00 1.26 O ATOM 1172 CB ASP A 72 -12.742 3.004 8.662 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.337 2.673 9.126 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.375 3.309 8.659 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -11.199 1.785 9.995 1.00 2.67 O ATOM 0 H ASP A 72 -14.700 4.108 6.739 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.072 4.846 7.834 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -13.326 3.353 9.514 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -13.221 2.095 8.299 1.00 1.58 H new ATOM 1180 N THR A 73 -11.818 4.243 5.339 1.00 0.74 N ATOM 1181 CA THR A 73 -11.455 3.781 3.996 1.00 0.65 C ATOM 1182 C THR A 73 -10.432 4.692 3.315 1.00 0.60 C ATOM 1183 O THR A 73 -10.561 5.917 3.324 1.00 0.79 O ATOM 1184 CB THR A 73 -12.707 3.714 3.100 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.730 2.903 3.661 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.427 3.182 1.715 1.00 0.94 C ATOM 0 H THR A 73 -11.561 5.211 5.534 1.00 0.74 H new ATOM 0 HA THR A 73 -11.010 2.794 4.122 1.00 0.65 H new ATOM 0 HB THR A 73 -13.035 4.751 3.031 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.350 2.339 4.366 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.352 3.162 1.139 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.703 3.827 1.217 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.023 2.172 1.788 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.463 4.053 2.675 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.427 4.733 1.910 1.00 0.52 C ATOM 1196 C ILE A 74 -8.714 4.500 0.429 1.00 0.50 C ATOM 1197 O ILE A 74 -8.874 3.353 0.006 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.014 4.195 2.247 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.800 4.141 3.762 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.943 5.048 1.584 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.768 5.503 4.420 1.00 0.99 C ATOM 0 H ILE A 74 -9.373 3.037 2.672 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.441 5.794 2.160 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.935 3.181 1.856 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.597 3.548 4.212 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.863 3.625 3.970 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.958 4.654 1.833 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.079 5.028 0.503 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.023 6.075 1.940 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.613 5.385 5.492 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.954 6.092 3.998 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.714 6.014 4.244 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.814 5.560 -0.356 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.112 5.408 -1.762 1.00 0.45 C ATOM 1215 C VAL A 75 -8.081 6.101 -2.632 1.00 0.46 C ATOM 1216 O VAL A 75 -7.619 7.205 -2.331 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.510 5.949 -2.114 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.592 5.197 -1.360 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.604 7.440 -1.840 1.00 1.19 C ATOM 0 H VAL A 75 -8.694 6.524 -0.044 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.086 4.337 -1.962 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.667 5.790 -3.181 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.569 5.600 -1.628 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.551 4.140 -1.623 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.434 5.311 -0.288 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.602 7.795 -2.098 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.413 7.629 -0.784 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.864 7.968 -2.442 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.732 5.435 -3.708 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.773 5.951 -4.644 1.00 0.58 C ATOM 1231 C LEU A 76 -7.474 6.337 -5.946 1.00 0.59 C ATOM 1232 O LEU A 76 -8.046 5.490 -6.638 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.663 4.917 -4.901 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.800 4.538 -3.689 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.450 3.458 -2.830 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.429 4.078 -4.146 1.00 1.04 C ATOM 0 H LEU A 76 -8.108 4.520 -3.955 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.309 6.843 -4.223 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.123 4.009 -5.292 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.008 5.304 -5.681 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.702 5.431 -3.072 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.801 3.225 -1.986 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.411 3.816 -2.461 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.603 2.560 -3.429 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.826 3.812 -3.278 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.535 3.208 -4.795 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.939 4.883 -4.695 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.417 7.618 -6.266 1.00 0.62 N ATOM 1249 CA GLN A 77 -8.027 8.145 -7.476 1.00 0.74 C ATOM 1250 C GLN A 77 -6.969 8.207 -8.575 1.00 0.78 C ATOM 1251 O GLN A 77 -5.800 7.970 -8.284 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.607 9.541 -7.210 1.00 0.93 C ATOM 1253 CG GLN A 77 -10.084 9.567 -6.848 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.426 8.823 -5.569 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.312 7.601 -5.484 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.876 9.563 -4.568 1.00 2.03 N ATOM 0 H GLN A 77 -6.948 8.322 -5.696 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.841 7.494 -7.793 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.042 10.004 -6.401 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.455 10.156 -8.097 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.404 10.604 -6.748 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -10.655 9.135 -7.670 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.956 10.574 -4.677 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.142 9.122 -3.688 1.00 2.03 H new ATOM 1265 N PRO A 78 -7.365 8.519 -9.844 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.484 8.605 -11.006 1.00 0.99 C ATOM 1267 C PRO A 78 -5.009 8.752 -10.675 1.00 1.02 C ATOM 1268 O PRO A 78 -4.538 9.822 -10.288 1.00 1.34 O ATOM 1269 CB PRO A 78 -7.030 9.840 -11.712 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.498 9.858 -11.371 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.726 8.821 -10.288 1.00 1.20 C ATOM 0 HA PRO A 78 -6.494 7.690 -11.599 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.532 10.746 -11.367 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.874 9.782 -12.789 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -8.799 10.847 -11.025 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -9.099 9.632 -12.252 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -9.340 9.211 -9.476 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -9.232 7.936 -10.674 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.314 7.639 -10.825 1.00 1.17 N ATOM 1280 CA GLN A 79 -2.896 7.530 -10.564 1.00 1.56 C ATOM 1281 C GLN A 79 -2.145 7.443 -11.887 1.00 1.66 C ATOM 1282 O GLN A 79 -1.009 7.891 -12.005 1.00 2.02 O ATOM 1283 CB GLN A 79 -2.628 6.268 -9.757 1.00 2.04 C ATOM 1284 CG GLN A 79 -3.712 5.953 -8.743 1.00 2.20 C ATOM 1285 CD GLN A 79 -3.416 4.694 -7.955 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.362 4.578 -7.337 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -4.339 3.742 -7.970 1.00 3.46 N ATOM 0 H GLN A 79 -4.734 6.765 -11.140 1.00 1.17 H new ATOM 0 HA GLN A 79 -2.560 8.404 -10.005 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -2.525 5.425 -10.440 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -1.676 6.375 -9.237 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -3.818 6.792 -8.056 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -4.666 5.840 -9.258 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -5.202 3.877 -8.496 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -4.186 2.875 -7.455 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.824 6.876 -12.877 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.291 6.716 -14.226 1.00 1.81 C ATOM 1298 C GLU A 80 -3.432 6.787 -15.230 1.00 1.62 C ATOM 1299 O GLU A 80 -4.592 6.609 -14.850 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.576 5.366 -14.379 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.207 5.288 -13.734 1.00 3.06 C ATOM 1302 CD GLU A 80 0.536 4.027 -14.130 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.620 3.746 -15.346 1.00 4.42 O ATOM 1304 OE2 GLU A 80 1.044 3.318 -13.237 1.00 4.35 O ATOM 0 H GLU A 80 -3.770 6.510 -12.766 1.00 1.50 H new ATOM 0 HA GLU A 80 -1.573 7.515 -14.408 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -2.207 4.587 -13.951 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.473 5.145 -15.441 1.00 2.37 H new ATOM 0 HG2 GLU A 80 0.380 6.160 -14.022 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.315 5.320 -12.650 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.124 7.031 -16.519 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.134 7.093 -17.573 1.00 2.28 C ATOM 1313 C PRO A 81 -4.920 5.789 -17.654 1.00 2.24 C ATOM 1314 O PRO A 81 -6.131 5.792 -17.894 1.00 2.80 O ATOM 1315 CB PRO A 81 -3.327 7.310 -18.853 1.00 2.89 C ATOM 1316 CG PRO A 81 -2.026 7.859 -18.398 1.00 3.10 C ATOM 1317 CD PRO A 81 -1.771 7.257 -17.044 1.00 2.53 C ATOM 0 HA PRO A 81 -4.867 7.880 -17.397 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.192 6.376 -19.398 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -3.833 8.001 -19.526 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -1.229 7.602 -19.095 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -2.061 8.947 -18.341 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.206 6.327 -17.116 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -1.198 7.929 -16.405 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.218 4.679 -17.429 1.00 1.99 N ATOM 1326 CA GLY A 82 -4.848 3.373 -17.439 1.00 2.10 C ATOM 1327 C GLY A 82 -5.399 3.038 -16.073 1.00 1.96 C ATOM 1328 O GLY A 82 -6.606 2.851 -15.930 1.00 2.51 O ATOM 0 H GLY A 82 -3.216 4.665 -17.239 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -5.652 3.357 -18.175 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -4.124 2.616 -17.741 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.479 2.921 -15.100 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.766 2.567 -13.693 1.00 1.40 C ATOM 1334 C LEU A 83 -6.244 2.704 -13.302 1.00 1.22 C ATOM 1335 O LEU A 83 -6.811 3.799 -13.322 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.900 3.425 -12.757 1.00 1.31 C ATOM 1337 CG LEU A 83 -3.294 2.692 -11.548 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -2.878 1.280 -11.931 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.087 3.460 -11.018 1.00 1.26 C ATOM 0 H LEU A 83 -3.485 3.074 -15.273 1.00 1.57 H new ATOM 0 HA LEU A 83 -4.521 1.510 -13.589 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.087 3.858 -13.340 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.506 4.253 -12.390 1.00 1.31 H new ATOM 0 HG LEU A 83 -4.052 2.634 -10.767 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.452 0.778 -11.062 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -3.750 0.726 -12.279 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -2.134 1.323 -12.727 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -1.667 2.932 -10.162 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.333 3.539 -11.802 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.397 4.459 -10.711 1.00 1.26 H new ATOM 1351 N PRO A 84 -6.873 1.563 -12.958 1.00 1.33 N ATOM 1352 CA PRO A 84 -8.297 1.475 -12.571 1.00 1.29 C ATOM 1353 C PRO A 84 -8.640 2.220 -11.275 1.00 1.09 C ATOM 1354 O PRO A 84 -8.009 3.216 -10.912 1.00 1.15 O ATOM 1355 CB PRO A 84 -8.508 -0.043 -12.387 1.00 1.58 C ATOM 1356 CG PRO A 84 -7.152 -0.570 -12.084 1.00 1.75 C ATOM 1357 CD PRO A 84 -6.232 0.238 -12.944 1.00 1.64 C ATOM 0 HA PRO A 84 -8.939 1.941 -13.319 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -9.206 -0.252 -11.576 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -8.920 -0.499 -13.287 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -6.909 -0.456 -11.028 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -7.079 -1.633 -12.315 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -5.225 0.281 -12.529 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -6.146 -0.180 -13.947 1.00 1.64 H new ATOM 1365 N SER A 85 -9.629 1.700 -10.572 1.00 0.99 N ATOM 1366 CA SER A 85 -10.066 2.262 -9.314 1.00 0.88 C ATOM 1367 C SER A 85 -9.490 1.425 -8.190 1.00 0.63 C ATOM 1368 O SER A 85 -9.745 0.226 -8.107 1.00 0.82 O ATOM 1369 CB SER A 85 -11.589 2.261 -9.238 1.00 1.23 C ATOM 1370 OG SER A 85 -12.165 2.840 -10.398 1.00 1.43 O ATOM 0 H SER A 85 -10.152 0.873 -10.861 1.00 0.99 H new ATOM 0 HA SER A 85 -9.720 3.292 -9.228 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.948 1.238 -9.123 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.911 2.813 -8.355 1.00 1.23 H new ATOM 0 HG SER A 85 -13.142 2.824 -10.321 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.685 2.045 -7.353 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.046 1.336 -6.264 1.00 0.64 C ATOM 1378 C PHE A 86 -8.587 1.829 -4.924 1.00 0.57 C ATOM 1379 O PHE A 86 -8.603 3.029 -4.657 1.00 0.63 O ATOM 1380 CB PHE A 86 -6.519 1.538 -6.374 1.00 1.04 C ATOM 1381 CG PHE A 86 -5.674 0.818 -5.355 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.191 -0.196 -4.571 1.00 1.41 C ATOM 1383 CD2 PHE A 86 -4.343 1.175 -5.193 1.00 1.30 C ATOM 1384 CE1 PHE A 86 -5.400 -0.829 -3.632 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -3.550 0.548 -4.254 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.080 -0.453 -3.473 1.00 0.75 C ATOM 0 H PHE A 86 -8.458 3.038 -7.406 1.00 0.53 H new ATOM 0 HA PHE A 86 -8.264 0.270 -6.325 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -6.203 1.219 -7.367 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -6.309 2.605 -6.300 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.221 -0.496 -4.693 1.00 1.41 H new ATOM 0 HD2 PHE A 86 -3.922 1.955 -5.811 1.00 1.30 H new ATOM 0 HE1 PHE A 86 -5.814 -1.618 -3.022 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -2.518 0.842 -4.133 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.464 -0.945 -2.735 1.00 0.75 H new ATOM 1396 N ARG A 87 -8.997 0.901 -4.069 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.501 1.256 -2.748 1.00 0.57 C ATOM 1398 C ARG A 87 -8.962 0.278 -1.724 1.00 0.57 C ATOM 1399 O ARG A 87 -8.755 -0.899 -2.035 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.040 1.210 -2.669 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.773 1.805 -3.856 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.210 0.707 -4.823 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.112 1.191 -5.867 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.735 0.403 -6.738 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.480 -0.897 -6.762 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.513 0.941 -7.668 1.00 2.41 N ATOM 0 H ARG A 87 -8.991 -0.100 -4.265 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.172 2.276 -2.549 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.350 0.171 -2.557 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.356 1.736 -1.768 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.645 2.361 -3.511 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.126 2.515 -4.371 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -11.327 0.268 -5.288 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.704 -0.087 -4.263 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.273 2.196 -5.931 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -12.804 -1.296 -6.111 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -13.960 -1.499 -7.432 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.630 1.953 -7.712 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.994 0.342 -8.339 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.773 0.754 -0.500 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.304 -0.089 0.596 1.00 0.54 C ATOM 1422 C ILE A 88 -9.062 0.244 1.882 1.00 0.59 C ATOM 1423 O ILE A 88 -9.050 1.384 2.344 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.776 0.024 0.843 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.252 1.406 0.437 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.031 -1.059 0.076 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.778 1.599 0.702 1.00 0.74 C ATOM 0 H ILE A 88 -8.938 1.726 -0.239 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.503 -1.119 0.300 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.600 -0.111 1.910 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.444 1.560 -0.625 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.812 2.170 0.976 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -4.961 -0.965 0.261 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.372 -2.040 0.408 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.226 -0.949 -0.991 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.480 2.600 0.389 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.581 1.478 1.767 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.207 0.859 0.141 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.746 -0.751 2.445 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.520 -0.563 3.667 1.00 0.74 C ATOM 1441 C LYS A 89 -10.444 -1.819 4.528 1.00 0.85 C ATOM 1442 O LYS A 89 -10.219 -2.914 4.011 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.987 -0.249 3.334 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.830 -1.468 2.999 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.270 -1.293 3.455 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.370 -1.146 4.961 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.776 -1.157 5.415 1.00 2.46 N ATOM 0 H LYS A 89 -9.778 -1.699 2.071 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.099 0.278 4.218 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.437 0.267 4.182 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.016 0.440 2.490 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.807 -1.643 1.923 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.401 -2.350 3.475 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.699 -0.414 2.975 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.860 -2.151 3.134 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -13.825 -1.957 5.444 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.895 -0.215 5.269 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.808 -1.055 6.449 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.290 -0.368 4.973 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.222 -2.056 5.142 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.645 -1.688 5.846 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.618 -2.837 6.749 1.00 1.30 C ATOM 1463 C PRO A 90 -11.919 -3.645 6.666 1.00 1.47 C ATOM 1464 O PRO A 90 -12.739 -3.611 7.584 1.00 1.94 O ATOM 1465 CB PRO A 90 -10.476 -2.192 8.125 1.00 1.59 C ATOM 1466 CG PRO A 90 -11.123 -0.856 7.991 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.928 -0.422 6.561 1.00 1.29 C ATOM 0 HA PRO A 90 -9.820 -3.540 6.512 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -10.963 -2.791 8.894 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -9.428 -2.097 8.410 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -12.183 -0.913 8.237 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -10.675 -0.138 8.678 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.817 0.070 6.167 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.104 0.285 6.466 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.116 -4.342 5.547 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.334 -5.123 5.331 1.00 1.72 C ATOM 1477 C LYS A 91 -13.446 -6.294 6.299 1.00 2.02 C ATOM 1478 O LYS A 91 -14.394 -6.360 7.083 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.391 -5.639 3.893 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.774 -6.118 3.475 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.779 -6.634 2.045 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.168 -7.086 1.602 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.699 -8.193 2.440 1.00 4.13 N ATOM 0 H LYS A 91 -11.449 -4.382 4.777 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.176 -4.455 5.515 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.070 -4.846 3.218 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.682 -6.459 3.781 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.105 -6.908 4.149 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -15.487 -5.299 3.569 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.423 -5.850 1.376 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -14.082 -7.468 1.959 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.854 -6.240 1.646 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.127 -7.409 0.562 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -17.570 -8.566 2.011 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.991 -8.952 2.502 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.908 -7.836 3.394 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.502 -7.225 6.253 1.00 2.34 N ATOM 1498 CA ASP A 92 -12.556 -8.380 7.134 1.00 2.92 C ATOM 1499 C ASP A 92 -11.155 -8.820 7.553 1.00 2.79 C ATOM 1500 O ASP A 92 -10.489 -9.562 6.832 1.00 3.27 O ATOM 1501 CB ASP A 92 -13.261 -9.544 6.434 1.00 3.81 C ATOM 1502 CG ASP A 92 -13.753 -10.596 7.404 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -12.945 -11.100 8.214 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -14.956 -10.934 7.362 1.00 5.11 O ATOM 0 H ASP A 92 -11.700 -7.203 5.623 1.00 2.34 H new ATOM 0 HA ASP A 92 -13.114 -8.093 8.025 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -14.105 -9.161 5.861 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -12.575 -10.004 5.722 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.723 -8.375 8.720 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.417 -8.734 9.249 1.00 2.95 C ATOM 1511 C PHE A 93 -9.371 -8.344 10.719 1.00 3.05 C ATOM 1512 O PHE A 93 -9.705 -7.213 11.068 1.00 3.30 O ATOM 1513 CB PHE A 93 -8.303 -8.026 8.476 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.979 -8.717 8.534 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -6.813 -9.999 8.020 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -5.891 -8.076 9.094 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -5.582 -10.619 8.073 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -4.661 -8.695 9.147 1.00 5.30 C ATOM 1519 CZ PHE A 93 -4.507 -9.964 8.634 1.00 5.69 C ATOM 0 H PHE A 93 -11.264 -7.758 9.326 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.262 -9.808 9.141 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.605 -7.931 7.433 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -8.190 -7.016 8.869 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -7.653 -10.512 7.577 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -6.006 -7.080 9.494 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -5.461 -11.616 7.676 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -3.818 -8.185 9.590 1.00 5.30 H new ATOM 0 HZ PHE A 93 -3.542 -10.447 8.671 1.00 5.69 H new ATOM 1529 N GLU A 94 -8.990 -9.276 11.573 1.00 3.44 N ATOM 1530 CA GLU A 94 -8.945 -9.016 13.005 1.00 3.96 C ATOM 1531 C GLU A 94 -7.518 -8.754 13.490 1.00 3.75 C ATOM 1532 O GLU A 94 -6.543 -9.057 12.793 1.00 4.15 O ATOM 1533 CB GLU A 94 -9.555 -10.197 13.766 1.00 4.82 C ATOM 1534 CG GLU A 94 -8.849 -11.518 13.520 1.00 5.73 C ATOM 1535 CD GLU A 94 -9.400 -12.635 14.379 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -9.348 -12.520 15.621 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -9.885 -13.643 13.813 1.00 7.20 O ATOM 0 H GLU A 94 -8.707 -10.218 11.304 1.00 3.44 H new ATOM 0 HA GLU A 94 -9.527 -8.116 13.201 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -9.534 -9.978 14.834 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -10.602 -10.298 13.482 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -8.947 -11.789 12.469 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -7.784 -11.401 13.721 1.00 5.73 H new ATOM 1544 N THR A 95 -7.426 -8.205 14.704 1.00 3.56 N ATOM 1545 CA THR A 95 -6.155 -7.892 15.358 1.00 3.57 C ATOM 1546 C THR A 95 -5.295 -6.938 14.517 1.00 3.11 C ATOM 1547 O THR A 95 -4.126 -7.208 14.240 1.00 3.46 O ATOM 1548 CB THR A 95 -5.404 -9.193 15.677 1.00 4.37 C ATOM 1549 OG1 THR A 95 -6.303 -10.151 16.212 1.00 4.92 O ATOM 1550 CG2 THR A 95 -4.278 -9.016 16.684 1.00 4.79 C ATOM 0 H THR A 95 -8.242 -7.963 15.266 1.00 3.56 H new ATOM 0 HA THR A 95 -6.369 -7.371 16.291 1.00 3.57 H new ATOM 0 HB THR A 95 -4.970 -9.520 14.732 1.00 4.37 H new ATOM 0 HG1 THR A 95 -5.818 -10.979 16.412 1.00 4.92 H new ATOM 0 HG21 THR A 95 -3.793 -9.976 16.860 1.00 4.79 H new ATOM 0 HG22 THR A 95 -3.548 -8.307 16.293 1.00 4.79 H new ATOM 0 HG23 THR A 95 -4.685 -8.638 17.622 1.00 4.79 H new ATOM 1558 N SER A 96 -5.878 -5.813 14.111 1.00 2.83 N ATOM 1559 CA SER A 96 -5.170 -4.815 13.315 1.00 2.92 C ATOM 1560 C SER A 96 -5.786 -3.438 13.559 1.00 2.63 C ATOM 1561 O SER A 96 -5.776 -2.570 12.688 1.00 2.95 O ATOM 1562 CB SER A 96 -5.249 -5.174 11.830 1.00 3.49 C ATOM 1563 OG SER A 96 -4.580 -6.390 11.563 1.00 4.05 O ATOM 0 H SER A 96 -6.846 -5.569 14.322 1.00 2.83 H new ATOM 0 HA SER A 96 -4.121 -4.796 13.612 1.00 2.92 H new ATOM 0 HB2 SER A 96 -6.293 -5.256 11.528 1.00 3.49 H new ATOM 0 HB3 SER A 96 -4.807 -4.374 11.236 1.00 3.49 H new ATOM 0 HG SER A 96 -4.948 -6.794 10.749 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.312 -3.261 14.757 1.00 2.52 N ATOM 1570 CA GLU A 97 -6.943 -2.006 15.151 1.00 2.71 C ATOM 1571 C GLU A 97 -5.947 -0.861 15.119 1.00 2.41 C ATOM 1572 O GLU A 97 -6.203 0.182 14.516 1.00 2.64 O ATOM 1573 CB GLU A 97 -7.517 -2.119 16.557 1.00 3.26 C ATOM 1574 CG GLU A 97 -8.254 -3.418 16.789 1.00 3.93 C ATOM 1575 CD GLU A 97 -8.681 -3.602 18.223 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -7.807 -3.565 19.114 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -9.888 -3.802 18.472 1.00 4.86 O ATOM 0 H GLU A 97 -6.316 -3.976 15.484 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.744 -1.803 14.440 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -6.708 -2.032 17.282 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -8.196 -1.285 16.735 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.134 -3.451 16.146 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -7.614 -4.250 16.496 1.00 3.93 H new ATOM 1584 N TYR A 98 -4.814 -1.060 15.781 1.00 2.15 N ATOM 1585 CA TYR A 98 -3.779 -0.037 15.845 1.00 1.95 C ATOM 1586 C TYR A 98 -3.271 0.325 14.456 1.00 1.56 C ATOM 1587 O TYR A 98 -3.211 1.500 14.095 1.00 1.45 O ATOM 1588 CB TYR A 98 -2.603 -0.482 16.726 1.00 2.16 C ATOM 1589 CG TYR A 98 -2.910 -0.498 18.204 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -3.803 -1.415 18.741 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -2.298 0.401 19.063 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -4.082 -1.437 20.096 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -2.569 0.390 20.419 1.00 4.46 C ATOM 1594 CZ TYR A 98 -3.458 -0.534 20.935 1.00 4.66 C ATOM 1595 OH TYR A 98 -3.716 -0.550 22.293 1.00 5.65 O ATOM 0 H TYR A 98 -4.589 -1.920 16.281 1.00 2.15 H new ATOM 0 HA TYR A 98 -4.235 0.846 16.293 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -2.292 -1.481 16.420 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -1.758 0.184 16.549 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -4.289 -2.125 18.089 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -1.598 1.122 18.667 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -4.783 -2.155 20.495 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -2.087 1.102 21.073 1.00 4.46 H new ATOM 0 HH TYR A 98 -3.192 0.151 22.734 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.867 -0.686 13.696 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.312 -0.481 12.362 1.00 1.34 C ATOM 1607 C VAL A 99 -3.319 0.173 11.411 1.00 1.17 C ATOM 1608 O VAL A 99 -2.956 1.058 10.635 1.00 1.04 O ATOM 1609 CB VAL A 99 -1.823 -1.833 11.781 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.982 -1.633 10.534 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -1.037 -2.599 12.833 1.00 1.91 C ATOM 0 H VAL A 99 -2.914 -1.664 13.983 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.468 0.203 12.457 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.701 -2.413 11.497 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -0.657 -2.602 10.155 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -1.575 -1.126 9.773 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -0.109 -1.027 10.777 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -0.698 -3.547 12.415 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -0.174 -2.010 13.143 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -1.675 -2.790 13.696 1.00 1.91 H new ATOM 1621 N ARG A 100 -4.581 -0.234 11.493 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.638 0.334 10.649 1.00 1.42 C ATOM 1623 C ARG A 100 -5.726 1.848 10.799 1.00 1.31 C ATOM 1624 O ARG A 100 -5.661 2.590 9.821 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.984 -0.282 11.021 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.524 -1.255 9.991 1.00 2.37 C ATOM 1627 CD ARG A 100 -6.532 -2.365 9.688 1.00 3.01 C ATOM 1628 NE ARG A 100 -7.102 -3.356 8.784 1.00 3.48 N ATOM 1629 CZ ARG A 100 -6.444 -4.406 8.302 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -5.203 -4.661 8.685 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -7.064 -5.250 7.495 1.00 4.93 N ATOM 0 H ARG A 100 -4.902 -0.957 12.136 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.390 0.105 9.612 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.884 -0.798 11.976 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.710 0.518 11.166 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.455 -1.689 10.355 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.760 -0.718 9.072 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -5.632 -1.940 9.243 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.230 -2.849 10.617 1.00 3.01 H new ATOM 0 HE ARG A 100 -8.075 -3.236 8.501 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -4.741 -4.049 9.357 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -4.709 -5.470 8.308 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -8.041 -5.093 7.246 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -6.566 -6.058 7.121 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.885 2.296 12.031 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.001 3.718 12.315 1.00 1.43 C ATOM 1647 C LYS A 101 -4.697 4.456 12.040 1.00 1.27 C ATOM 1648 O LYS A 101 -4.693 5.657 11.779 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.464 3.933 13.751 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.970 3.777 13.921 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.409 2.321 13.836 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.922 2.192 13.814 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.517 2.704 12.553 1.00 3.24 N ATOM 0 H LYS A 101 -5.937 1.696 12.854 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.751 4.136 11.643 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.955 3.222 14.401 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.169 4.930 14.077 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.270 4.190 14.884 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.483 4.355 13.152 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.992 1.867 12.937 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.009 1.770 14.687 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -10.196 1.145 13.943 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -10.343 2.738 14.659 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.336 3.305 12.775 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.808 3.262 12.036 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.824 1.904 11.964 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.598 3.720 12.070 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.284 4.286 11.800 1.00 1.11 C ATOM 1669 C ALA A 102 -2.162 4.688 10.328 1.00 0.99 C ATOM 1670 O ALA A 102 -1.899 5.848 10.033 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.194 3.306 12.193 1.00 1.22 C ATOM 0 H ALA A 102 -3.589 2.722 12.280 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.162 5.186 12.403 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.218 3.745 11.985 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.272 3.083 13.257 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.308 2.386 11.620 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.349 3.726 9.408 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.261 3.991 7.954 1.00 1.01 C ATOM 1679 C TRP A 103 -3.102 5.204 7.542 1.00 0.93 C ATOM 1680 O TRP A 103 -2.808 5.864 6.543 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.724 2.790 7.133 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.783 1.622 7.131 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.505 0.788 8.171 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.999 1.152 6.022 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.617 -0.183 7.775 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.283 0.027 6.462 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.828 1.577 4.698 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.569 -0.687 5.624 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.025 0.864 3.872 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.717 -0.253 4.339 1.00 0.98 C ATOM 0 H TRP A 103 -2.562 2.756 9.642 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.209 4.192 7.752 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.690 2.459 7.515 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.882 3.112 6.104 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.922 0.877 9.163 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.264 -0.938 8.363 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.352 2.446 4.328 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.097 -1.559 5.981 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.157 1.179 2.847 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.381 -0.783 3.672 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.134 5.506 8.330 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.997 6.659 8.068 1.00 1.12 C ATOM 1703 C LEU A 104 -4.196 7.940 8.220 1.00 1.10 C ATOM 1704 O LEU A 104 -4.449 8.927 7.534 1.00 1.40 O ATOM 1705 CB LEU A 104 -6.196 6.689 9.030 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.511 6.102 8.494 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -8.064 6.982 7.387 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.318 4.676 8.005 1.00 1.69 C ATOM 0 H LEU A 104 -4.393 4.967 9.156 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.377 6.574 7.050 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.923 6.147 9.935 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.376 7.724 9.321 1.00 1.35 H new ATOM 0 HG LEU A 104 -8.231 6.075 9.312 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.996 6.556 7.015 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -8.252 7.982 7.777 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -7.341 7.040 6.573 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -8.266 4.288 7.632 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -6.580 4.663 7.203 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.970 4.053 8.829 1.00 1.69 H new ATOM 1720 N ARG A 105 -3.184 7.890 9.076 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.291 9.021 9.269 1.00 1.18 C ATOM 1722 C ARG A 105 -1.127 8.902 8.298 1.00 1.08 C ATOM 1723 O ARG A 105 -0.690 9.888 7.708 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.771 9.104 10.713 1.00 1.38 C ATOM 1725 CG ARG A 105 -1.202 10.475 11.066 1.00 2.01 C ATOM 1726 CD ARG A 105 0.316 10.487 11.211 1.00 2.29 C ATOM 1727 NE ARG A 105 1.037 10.231 9.958 1.00 2.86 N ATOM 1728 CZ ARG A 105 2.365 10.220 9.862 1.00 3.68 C ATOM 1729 NH1 ARG A 105 3.101 10.640 10.879 1.00 4.09 N ATOM 1730 NH2 ARG A 105 2.945 9.977 8.694 1.00 4.52 N ATOM 0 H ARG A 105 -2.962 7.075 9.648 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.850 9.937 9.077 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.584 8.867 11.400 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.999 8.348 10.859 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -1.491 11.189 10.294 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -1.650 10.816 11.999 1.00 2.01 H new ATOM 0 HD2 ARG A 105 0.626 11.455 11.605 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.607 9.736 11.946 1.00 2.29 H new ATOM 0 HE ARG A 105 0.491 10.052 9.115 1.00 2.86 H new ATOM 0 HH11 ARG A 105 2.651 10.971 11.732 1.00 4.09 H new ATOM 0 HH12 ARG A 105 4.119 10.633 10.809 1.00 4.09 H new ATOM 0 HH21 ARG A 105 2.374 9.798 7.868 1.00 4.52 H new ATOM 0 HH22 ARG A 105 3.962 9.969 8.622 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.624 7.677 8.150 1.00 0.95 N ATOM 1745 CA ASP A 106 0.509 7.386 7.263 1.00 0.99 C ATOM 1746 C ASP A 106 0.190 7.646 5.801 1.00 0.96 C ATOM 1747 O ASP A 106 1.085 7.614 4.959 1.00 1.17 O ATOM 1748 CB ASP A 106 0.960 5.931 7.423 1.00 1.09 C ATOM 1749 CG ASP A 106 1.704 5.670 8.714 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.064 5.644 9.783 1.00 2.18 O ATOM 1751 OD2 ASP A 106 2.937 5.483 8.666 1.00 1.76 O ATOM 0 H ASP A 106 -0.987 6.858 8.639 1.00 0.95 H new ATOM 0 HA ASP A 106 1.310 8.063 7.559 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.086 5.281 7.378 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.600 5.663 6.583 1.00 1.09 H new ATOM 1756 N ILE A 107 -1.063 7.943 5.483 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.430 8.236 4.108 1.00 1.04 C ATOM 1758 C ILE A 107 -1.907 9.693 4.039 1.00 1.23 C ATOM 1759 O ILE A 107 -1.960 10.310 2.977 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.528 7.259 3.601 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.242 6.821 2.156 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.913 7.875 3.721 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.033 5.912 2.031 1.00 1.45 C ATOM 0 H ILE A 107 -1.833 7.987 6.151 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.566 8.101 3.458 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.506 6.373 4.235 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.117 6.306 1.760 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -2.087 7.706 1.539 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.659 7.167 3.359 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -4.116 8.113 4.765 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.959 8.787 3.125 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.888 5.641 0.985 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.148 6.432 2.397 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.194 5.010 2.621 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.210 10.237 5.219 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.640 11.622 5.365 1.00 1.52 C ATOM 1777 C ALA A 108 -1.445 12.548 5.187 1.00 1.59 C ATOM 1778 O ALA A 108 -1.589 13.748 4.956 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.288 11.827 6.714 1.00 1.62 C ATOM 0 H ALA A 108 -2.163 9.725 6.100 1.00 1.25 H new ATOM 0 HA ALA A 108 -3.379 11.856 4.598 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.605 12.865 6.811 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.155 11.173 6.804 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.572 11.591 7.501 1.00 1.62 H new ATOM 1785 N GLU A 109 -0.270 11.951 5.300 1.00 1.39 N ATOM 1786 CA GLU A 109 0.996 12.642 5.157 1.00 1.50 C ATOM 1787 C GLU A 109 2.098 11.601 4.979 1.00 1.43 C ATOM 1788 O GLU A 109 2.830 11.266 5.917 1.00 1.70 O ATOM 1789 CB GLU A 109 1.263 13.543 6.365 1.00 1.69 C ATOM 1790 CG GLU A 109 0.930 12.901 7.702 1.00 1.73 C ATOM 1791 CD GLU A 109 0.658 13.924 8.783 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.574 14.697 9.135 1.00 2.40 O ATOM 1793 OE2 GLU A 109 -0.486 13.967 9.274 1.00 2.56 O ATOM 0 H GLU A 109 -0.170 10.955 5.497 1.00 1.39 H new ATOM 0 HA GLU A 109 0.970 13.290 4.281 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.314 13.832 6.364 1.00 1.69 H new ATOM 0 HB3 GLU A 109 0.681 14.458 6.258 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.057 12.259 7.586 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.757 12.262 8.011 1.00 1.73 H new ATOM 1800 N GLU A 110 2.165 11.074 3.760 1.00 1.49 N ATOM 1801 CA GLU A 110 3.131 10.039 3.393 1.00 1.63 C ATOM 1802 C GLU A 110 4.550 10.591 3.376 1.00 1.78 C ATOM 1803 O GLU A 110 4.747 11.799 3.536 1.00 2.20 O ATOM 1804 CB GLU A 110 2.838 9.489 1.989 1.00 2.09 C ATOM 1805 CG GLU A 110 1.374 9.431 1.593 1.00 2.83 C ATOM 1806 CD GLU A 110 1.177 9.764 0.128 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.177 10.084 -0.553 1.00 3.86 O ATOM 1808 OE2 GLU A 110 0.025 9.727 -0.345 1.00 3.86 O ATOM 0 H GLU A 110 1.550 11.352 2.995 1.00 1.49 H new ATOM 0 HA GLU A 110 3.042 9.250 4.140 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.367 10.104 1.261 1.00 2.09 H new ATOM 0 HB3 GLU A 110 3.254 8.484 1.919 1.00 2.09 H new ATOM 0 HG2 GLU A 110 0.981 8.435 1.796 1.00 2.83 H new ATOM 0 HG3 GLU A 110 0.803 10.129 2.205 1.00 2.83 H new ATOM 1815 N GLN A 111 5.509 9.684 3.114 1.00 1.93 N ATOM 1816 CA GLN A 111 6.943 9.994 2.998 1.00 2.44 C ATOM 1817 C GLN A 111 7.365 11.219 3.803 1.00 2.84 C ATOM 1818 O GLN A 111 7.430 12.341 3.292 1.00 3.22 O ATOM 1819 CB GLN A 111 7.316 10.151 1.514 1.00 2.97 C ATOM 1820 CG GLN A 111 6.364 11.032 0.714 1.00 3.66 C ATOM 1821 CD GLN A 111 6.465 10.792 -0.776 1.00 4.54 C ATOM 1822 OE1 GLN A 111 7.534 10.930 -1.367 1.00 5.12 O ATOM 1823 NE2 GLN A 111 5.353 10.430 -1.397 1.00 5.02 N ATOM 0 H GLN A 111 5.303 8.695 2.974 1.00 1.93 H new ATOM 0 HA GLN A 111 7.492 9.157 3.430 1.00 2.44 H new ATOM 0 HB2 GLN A 111 8.321 10.569 1.447 1.00 2.97 H new ATOM 0 HB3 GLN A 111 7.350 9.163 1.054 1.00 2.97 H new ATOM 0 HG2 GLN A 111 5.341 10.845 1.040 1.00 3.66 H new ATOM 0 HG3 GLN A 111 6.580 12.079 0.925 1.00 3.66 H new ATOM 0 HE21 GLN A 111 4.486 10.326 -0.871 1.00 5.02 H new ATOM 0 HE22 GLN A 111 5.364 10.255 -2.402 1.00 5.02 H new