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 69 THR OG1 : rot -84:sc= 0.976 USER MOD Set 1.2: A 73 THR OG1 : rot 81:sc= 1.22 USER MOD Set 1.3: A 89 LYS NZ :NH3+ -113:sc= 1.16 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.31) USER MOD Single : A 17 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.971) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0011 X(o=-0.0011,f=0.23) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -139:sc= -1.05 (180deg=-3.98!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 42 GLN : amide:sc= -0.666 K(o=-0.67,f=-3!) USER MOD Single : A 54 TYR OH : rot 50:sc= 0.316 USER MOD Single : A 55 SER OG : rot 101:sc= 1.21 USER MOD Single : A 56 SER OG : rot -49:sc= 0.0192 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0491 (180deg=-0.244) USER MOD Single : A 62 TYR OH : rot 80:sc= -0.155 USER MOD Single : A 63 ASN : amide:sc= -1.99! K(o=-2!,f=-0.11) USER MOD Single : A 66 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.14) USER MOD Single : A 67 HIS : no HD1:sc= -3.51! K(o=-3.5!,f=-1.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.92 K(o=-0.92,f=-1.8!) USER MOD Single : A 85 SER OG : rot 39:sc= 0.00154 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0341) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0162 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+ 145:sc= 2.36 (180deg=0.833) USER MOD Single : A 111 GLN : amide:sc= -1.58! C(o=-1.6!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.296 -2.778 4.699 1.00 3.85 N ATOM 109 CA ARG A 9 10.076 -2.456 5.431 1.00 3.14 C ATOM 110 C ARG A 9 10.204 -1.157 6.226 1.00 2.98 C ATOM 111 O ARG A 9 9.933 -1.114 7.427 1.00 3.23 O ATOM 112 CB ARG A 9 9.719 -3.611 6.366 1.00 2.97 C ATOM 113 CG ARG A 9 9.347 -4.884 5.642 1.00 3.11 C ATOM 114 CD ARG A 9 9.626 -6.109 6.501 1.00 3.35 C ATOM 115 NE ARG A 9 8.857 -6.112 7.745 1.00 3.78 N ATOM 116 CZ ARG A 9 8.933 -7.075 8.668 1.00 4.27 C ATOM 117 NH1 ARG A 9 9.892 -7.983 8.611 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.176 -7.012 9.751 1.00 4.95 N ATOM 0 HA ARG A 9 9.280 -2.309 4.701 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.566 -3.811 7.022 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.887 -3.308 7.002 1.00 2.97 H new ATOM 0 HG2 ARG A 9 8.291 -4.858 5.374 1.00 3.11 H new ATOM 0 HG3 ARG A 9 9.910 -4.954 4.711 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.392 -7.008 5.931 1.00 3.35 H new ATOM 0 HD3 ARG A 9 10.690 -6.149 6.736 1.00 3.35 H new ATOM 0 HE ARG A 9 8.224 -5.331 7.919 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.580 -7.951 7.859 1.00 4.46 H new ATOM 0 HH12 ARG A 9 9.944 -8.715 9.319 1.00 4.46 H new ATOM 0 HH21 ARG A 9 7.535 -6.229 9.881 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.233 -7.746 10.456 1.00 4.95 H new ATOM 132 N ILE A 10 10.648 -0.116 5.550 1.00 2.78 N ATOM 133 CA ILE A 10 10.855 1.190 6.155 1.00 2.70 C ATOM 134 C ILE A 10 9.542 1.944 6.420 1.00 2.20 C ATOM 135 O ILE A 10 9.479 2.779 7.324 1.00 2.49 O ATOM 136 CB ILE A 10 11.781 2.050 5.258 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.971 3.460 5.847 1.00 2.80 C ATOM 138 CG2 ILE A 10 11.256 2.128 3.827 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.842 3.509 7.093 1.00 3.25 C ATOM 0 H ILE A 10 10.878 -0.150 4.557 1.00 2.78 H new ATOM 0 HA ILE A 10 11.325 1.017 7.123 1.00 2.70 H new ATOM 0 HB ILE A 10 12.754 1.560 5.230 1.00 2.80 H new ATOM 0 HG12 ILE A 10 12.412 4.102 5.085 1.00 2.80 H new ATOM 0 HG13 ILE A 10 10.992 3.875 6.086 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.929 2.739 3.225 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.201 1.125 3.405 1.00 2.55 H new ATOM 0 HG23 ILE A 10 10.263 2.577 3.828 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.922 4.539 7.440 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.393 2.896 7.875 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.835 3.127 6.858 1.00 3.25 H new ATOM 151 N ILE A 11 8.509 1.684 5.632 1.00 1.98 N ATOM 152 CA ILE A 11 7.243 2.387 5.814 1.00 1.56 C ATOM 153 C ILE A 11 6.216 1.548 6.589 1.00 1.31 C ATOM 154 O ILE A 11 6.174 1.588 7.819 1.00 1.71 O ATOM 155 CB ILE A 11 6.660 2.852 4.448 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.706 3.692 3.688 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.390 3.665 4.655 1.00 1.05 C ATOM 158 CD1 ILE A 11 7.257 4.180 2.328 1.00 2.05 C ATOM 0 H ILE A 11 8.518 1.004 4.872 1.00 1.98 H new ATOM 0 HA ILE A 11 7.456 3.270 6.417 1.00 1.56 H new ATOM 0 HB ILE A 11 6.413 1.969 3.859 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.973 4.555 4.299 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.611 3.096 3.565 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.998 3.981 3.688 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.646 3.054 5.166 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.615 4.544 5.260 1.00 1.05 H new ATOM 0 HD11 ILE A 11 8.056 4.761 1.868 1.00 2.05 H new ATOM 0 HD12 ILE A 11 7.019 3.325 1.695 1.00 2.05 H new ATOM 0 HD13 ILE A 11 6.372 4.806 2.440 1.00 2.05 H new ATOM 170 N ARG A 12 5.386 0.799 5.870 1.00 0.96 N ATOM 171 CA ARG A 12 4.358 -0.040 6.490 1.00 1.02 C ATOM 172 C ARG A 12 4.063 -1.248 5.617 1.00 0.77 C ATOM 173 O ARG A 12 4.351 -1.233 4.419 1.00 0.91 O ATOM 174 CB ARG A 12 3.061 0.741 6.701 1.00 1.53 C ATOM 175 CG ARG A 12 3.010 1.528 7.992 1.00 2.10 C ATOM 176 CD ARG A 12 1.981 2.642 7.902 1.00 2.67 C ATOM 177 NE ARG A 12 1.990 3.525 9.076 1.00 3.29 N ATOM 178 CZ ARG A 12 3.069 4.170 9.537 1.00 3.98 C ATOM 179 NH1 ARG A 12 4.162 4.248 8.798 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.962 4.963 10.591 1.00 4.72 N ATOM 0 H ARG A 12 5.403 0.754 4.851 1.00 0.96 H new ATOM 0 HA ARG A 12 4.741 -0.365 7.457 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.924 1.427 5.865 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.224 0.044 6.681 1.00 1.53 H new ATOM 0 HG2 ARG A 12 2.762 0.863 8.819 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.992 1.950 8.206 1.00 2.10 H new ATOM 0 HD2 ARG A 12 2.171 3.234 7.007 1.00 2.67 H new ATOM 0 HD3 ARG A 12 0.989 2.205 7.790 1.00 2.67 H new ATOM 0 HE ARG A 12 1.111 3.656 9.576 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.185 3.816 7.874 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.983 4.740 9.152 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.059 5.082 11.050 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.782 5.455 10.944 1.00 4.72 H new ATOM 194 N HIS A 13 3.474 -2.278 6.221 1.00 0.70 N ATOM 195 CA HIS A 13 3.114 -3.496 5.498 1.00 0.68 C ATOM 196 C HIS A 13 1.970 -4.215 6.222 1.00 0.74 C ATOM 197 O HIS A 13 2.104 -4.610 7.381 1.00 1.04 O ATOM 198 CB HIS A 13 4.339 -4.422 5.335 1.00 0.93 C ATOM 199 CG HIS A 13 4.799 -5.117 6.589 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.292 -4.457 7.694 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.800 -6.429 6.908 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.568 -5.337 8.641 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.280 -6.537 8.187 1.00 1.80 N ATOM 0 H HIS A 13 3.235 -2.293 7.213 1.00 0.70 H new ATOM 0 HA HIS A 13 2.774 -3.223 4.499 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.103 -5.179 4.587 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.168 -3.833 4.942 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.482 -7.242 6.273 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.963 -5.109 9.620 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.395 -7.409 8.704 1.00 1.80 H new ATOM 212 N ASP A 14 0.847 -4.381 5.534 1.00 0.60 N ATOM 213 CA ASP A 14 -0.305 -5.049 6.128 1.00 0.69 C ATOM 214 C ASP A 14 -1.135 -5.772 5.074 1.00 0.61 C ATOM 215 O ASP A 14 -1.067 -5.457 3.888 1.00 0.86 O ATOM 216 CB ASP A 14 -1.175 -4.066 6.907 1.00 0.83 C ATOM 217 CG ASP A 14 -0.754 -3.986 8.365 1.00 1.31 C ATOM 218 OD1 ASP A 14 -0.857 -5.013 9.068 1.00 2.03 O ATOM 219 OD2 ASP A 14 -0.297 -2.909 8.803 1.00 1.78 O ATOM 0 H ASP A 14 0.709 -4.066 4.574 1.00 0.60 H new ATOM 0 HA ASP A 14 0.080 -5.793 6.826 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.106 -3.078 6.452 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.219 -4.373 6.845 1.00 0.83 H new ATOM 224 N ALA A 15 -1.912 -6.745 5.512 1.00 0.75 N ATOM 225 CA ALA A 15 -2.746 -7.513 4.599 1.00 0.71 C ATOM 226 C ALA A 15 -4.140 -6.914 4.516 1.00 0.68 C ATOM 227 O ALA A 15 -4.869 -6.885 5.504 1.00 0.88 O ATOM 228 CB ALA A 15 -2.797 -8.979 5.017 1.00 0.84 C ATOM 0 H ALA A 15 -1.985 -7.024 6.490 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.302 -7.467 3.605 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.426 -9.534 4.321 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.790 -9.395 5.007 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.212 -9.057 6.022 1.00 0.84 H new ATOM 234 N PHE A 16 -4.515 -6.425 3.339 1.00 0.60 N ATOM 235 CA PHE A 16 -5.831 -5.823 3.138 1.00 0.67 C ATOM 236 C PHE A 16 -6.726 -6.744 2.327 1.00 0.68 C ATOM 237 O PHE A 16 -6.276 -7.386 1.374 1.00 1.00 O ATOM 238 CB PHE A 16 -5.712 -4.449 2.462 1.00 0.77 C ATOM 239 CG PHE A 16 -5.218 -3.368 3.381 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.213 -3.559 4.751 1.00 1.74 C ATOM 241 CD2 PHE A 16 -4.772 -2.155 2.876 1.00 1.83 C ATOM 242 CE1 PHE A 16 -4.763 -2.564 5.607 1.00 2.26 C ATOM 243 CE2 PHE A 16 -4.321 -1.158 3.718 1.00 2.36 C ATOM 244 CZ PHE A 16 -4.320 -1.359 5.088 1.00 2.35 C ATOM 0 H PHE A 16 -3.925 -6.433 2.507 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.286 -5.678 4.118 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.035 -4.529 1.612 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.687 -4.162 2.067 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -5.564 -4.495 5.160 1.00 1.74 H new ATOM 0 HD2 PHE A 16 -4.778 -1.988 1.809 1.00 1.83 H new ATOM 0 HE1 PHE A 16 -4.758 -2.729 6.674 1.00 2.26 H new ATOM 0 HE2 PHE A 16 -3.969 -0.223 3.309 1.00 2.36 H new ATOM 0 HZ PHE A 16 -3.975 -0.578 5.750 1.00 2.35 H new ATOM 254 N GLN A 17 -7.988 -6.803 2.708 1.00 0.59 N ATOM 255 CA GLN A 17 -8.959 -7.637 2.033 1.00 0.60 C ATOM 256 C GLN A 17 -10.129 -6.770 1.638 1.00 0.64 C ATOM 257 O GLN A 17 -11.101 -6.648 2.372 1.00 0.95 O ATOM 258 CB GLN A 17 -9.402 -8.775 2.967 1.00 0.74 C ATOM 259 CG GLN A 17 -9.926 -10.023 2.269 1.00 1.07 C ATOM 260 CD GLN A 17 -11.297 -9.837 1.652 1.00 1.26 C ATOM 261 OE1 GLN A 17 -12.241 -9.426 2.325 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.422 -10.154 0.377 1.00 1.63 N ATOM 0 H GLN A 17 -8.367 -6.274 3.494 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.527 -8.089 1.140 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.557 -9.058 3.595 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.179 -8.396 3.631 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -9.222 -10.317 1.490 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.967 -10.842 2.987 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.614 -10.491 -0.146 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.327 -10.062 -0.085 1.00 1.63 H new ATOM 271 N VAL A 18 -9.986 -6.099 0.518 1.00 0.51 N ATOM 272 CA VAL A 18 -11.005 -5.175 0.069 1.00 0.59 C ATOM 273 C VAL A 18 -11.539 -5.501 -1.307 1.00 0.60 C ATOM 274 O VAL A 18 -11.318 -6.581 -1.850 1.00 1.04 O ATOM 275 CB VAL A 18 -10.486 -3.734 0.061 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.444 -2.845 0.835 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.083 -3.655 0.638 1.00 0.84 C ATOM 0 H VAL A 18 -9.177 -6.174 -0.098 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.821 -5.277 0.785 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.433 -3.384 -0.970 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.074 -1.820 0.829 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.429 -2.878 0.369 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.518 -3.198 1.864 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.740 -2.621 0.620 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.092 -4.017 1.666 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.409 -4.271 0.042 1.00 0.84 H new ATOM 287 N TRP A 19 -12.228 -4.531 -1.874 1.00 0.63 N ATOM 288 CA TRP A 19 -12.821 -4.655 -3.186 1.00 0.65 C ATOM 289 C TRP A 19 -11.913 -4.039 -4.247 1.00 0.68 C ATOM 290 O TRP A 19 -12.040 -2.858 -4.577 1.00 1.04 O ATOM 291 CB TRP A 19 -14.180 -3.951 -3.186 1.00 0.72 C ATOM 292 CG TRP A 19 -15.114 -4.447 -2.118 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.969 -5.513 -2.189 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.259 -3.917 -0.787 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.658 -5.643 -1.005 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.233 -4.690 -0.132 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.658 -2.864 -0.096 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.629 -4.440 1.180 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.047 -2.618 1.215 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.025 -3.409 1.838 1.00 0.96 C ATOM 0 H TRP A 19 -12.392 -3.627 -1.431 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.951 -5.711 -3.423 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -14.025 -2.880 -3.053 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.650 -4.087 -4.160 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -16.086 -6.157 -3.048 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.374 -6.343 -0.812 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.905 -2.252 -0.571 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.387 -5.041 1.659 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.590 -1.807 1.762 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.305 -3.197 2.859 1.00 0.96 H new ATOM 311 N GLU A 20 -11.000 -4.847 -4.776 1.00 0.69 N ATOM 312 CA GLU A 20 -10.076 -4.402 -5.810 1.00 0.77 C ATOM 313 C GLU A 20 -10.352 -5.144 -7.106 1.00 1.18 C ATOM 314 O GLU A 20 -10.130 -6.352 -7.222 1.00 1.81 O ATOM 315 CB GLU A 20 -8.632 -4.607 -5.345 1.00 1.04 C ATOM 316 CG GLU A 20 -7.625 -4.899 -6.459 1.00 1.26 C ATOM 317 CD GLU A 20 -7.308 -3.701 -7.332 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.212 -3.201 -8.036 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.139 -3.265 -7.349 1.00 2.62 O ATOM 0 H GLU A 20 -10.881 -5.822 -4.502 1.00 0.69 H new ATOM 0 HA GLU A 20 -10.222 -3.338 -5.994 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.309 -3.714 -4.810 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -8.610 -5.431 -4.632 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.701 -5.265 -6.012 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.015 -5.700 -7.087 1.00 1.26 H new ATOM 326 N GLY A 21 -10.862 -4.396 -8.067 1.00 1.49 N ATOM 327 CA GLY A 21 -11.209 -4.934 -9.358 1.00 1.95 C ATOM 328 C GLY A 21 -12.548 -4.411 -9.799 1.00 2.05 C ATOM 329 O GLY A 21 -12.848 -3.226 -9.622 1.00 2.48 O ATOM 0 H GLY A 21 -11.045 -3.397 -7.969 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -10.447 -4.664 -10.089 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.234 -6.023 -9.311 1.00 1.95 H new ATOM 333 N ASP A 22 -13.364 -5.285 -10.357 1.00 2.34 N ATOM 334 CA ASP A 22 -14.688 -4.899 -10.813 1.00 2.75 C ATOM 335 C ASP A 22 -15.712 -5.045 -9.696 1.00 2.43 C ATOM 336 O ASP A 22 -16.874 -5.330 -9.975 1.00 2.85 O ATOM 337 CB ASP A 22 -15.127 -5.744 -12.008 1.00 3.62 C ATOM 338 CG ASP A 22 -16.114 -5.005 -12.877 1.00 4.19 C ATOM 339 OD1 ASP A 22 -15.724 -3.975 -13.471 1.00 4.65 O ATOM 340 OD2 ASP A 22 -17.287 -5.427 -12.950 1.00 4.60 O ATOM 0 H ASP A 22 -13.134 -6.268 -10.506 1.00 2.34 H new ATOM 0 HA ASP A 22 -14.633 -3.854 -11.117 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -14.254 -6.019 -12.600 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -15.577 -6.671 -11.653 1.00 3.62 H new ATOM 345 N GLU A 23 -15.236 -4.855 -8.448 1.00 2.07 N ATOM 346 CA GLU A 23 -16.019 -4.938 -7.204 1.00 2.37 C ATOM 347 C GLU A 23 -15.666 -6.157 -6.340 1.00 1.70 C ATOM 348 O GLU A 23 -15.443 -5.976 -5.144 1.00 1.86 O ATOM 349 CB GLU A 23 -17.517 -4.894 -7.443 1.00 3.34 C ATOM 350 CG GLU A 23 -18.347 -4.788 -6.167 1.00 4.22 C ATOM 351 CD GLU A 23 -19.832 -4.741 -6.444 1.00 5.12 C ATOM 352 OE1 GLU A 23 -20.230 -4.920 -7.607 1.00 5.52 O ATOM 353 OE2 GLU A 23 -20.616 -4.541 -5.489 1.00 5.78 O ATOM 0 H GLU A 23 -14.256 -4.631 -8.276 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.735 -4.044 -6.649 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -17.747 -4.044 -8.085 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -17.815 -5.792 -7.984 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -18.128 -5.640 -5.523 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -18.054 -3.892 -5.620 1.00 4.22 H new ATOM 360 N PRO A 24 -15.605 -7.407 -6.886 1.00 1.42 N ATOM 361 CA PRO A 24 -15.293 -8.596 -6.078 1.00 1.17 C ATOM 362 C PRO A 24 -14.093 -8.406 -5.156 1.00 0.97 C ATOM 363 O PRO A 24 -13.019 -7.981 -5.580 1.00 1.08 O ATOM 364 CB PRO A 24 -15.020 -9.682 -7.112 1.00 1.65 C ATOM 365 CG PRO A 24 -15.830 -9.275 -8.291 1.00 2.09 C ATOM 366 CD PRO A 24 -15.839 -7.773 -8.298 1.00 2.00 C ATOM 0 HA PRO A 24 -16.113 -8.836 -5.400 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.960 -9.740 -7.358 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.316 -10.665 -6.745 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -15.399 -9.666 -9.213 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.844 -9.670 -8.221 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -15.061 -7.372 -8.948 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -16.790 -7.381 -8.659 1.00 2.00 H new ATOM 374 N PRO A 25 -14.294 -8.695 -3.875 1.00 0.88 N ATOM 375 CA PRO A 25 -13.268 -8.550 -2.857 1.00 0.77 C ATOM 376 C PRO A 25 -12.152 -9.597 -2.969 1.00 0.74 C ATOM 377 O PRO A 25 -12.400 -10.766 -3.274 1.00 0.92 O ATOM 378 CB PRO A 25 -14.032 -8.739 -1.543 1.00 0.92 C ATOM 379 CG PRO A 25 -15.262 -9.502 -1.897 1.00 1.08 C ATOM 380 CD PRO A 25 -15.576 -9.168 -3.325 1.00 1.09 C ATOM 0 HA PRO A 25 -12.761 -7.589 -2.946 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.430 -9.283 -0.815 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.283 -7.778 -1.095 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.102 -10.573 -1.776 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.090 -9.227 -1.244 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.944 -10.039 -3.866 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.347 -8.400 -3.394 1.00 1.09 H new ATOM 388 N LYS A 26 -10.917 -9.176 -2.721 1.00 0.65 N ATOM 389 CA LYS A 26 -9.762 -10.070 -2.784 1.00 0.73 C ATOM 390 C LYS A 26 -8.721 -9.681 -1.732 1.00 0.66 C ATOM 391 O LYS A 26 -8.626 -8.520 -1.323 1.00 0.88 O ATOM 392 CB LYS A 26 -9.139 -10.048 -4.191 1.00 0.95 C ATOM 393 CG LYS A 26 -10.079 -10.538 -5.287 1.00 1.34 C ATOM 394 CD LYS A 26 -9.437 -10.447 -6.663 1.00 1.42 C ATOM 395 CE LYS A 26 -10.432 -10.765 -7.773 1.00 1.61 C ATOM 396 NZ LYS A 26 -11.131 -12.065 -7.568 1.00 2.20 N ATOM 0 H LYS A 26 -10.687 -8.214 -2.472 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.102 -11.084 -2.572 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.824 -9.031 -4.423 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.242 -10.667 -4.191 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.364 -11.571 -5.086 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.994 -9.946 -5.273 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.035 -9.445 -6.811 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.597 -11.139 -6.719 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -11.171 -9.966 -7.832 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -9.908 -10.786 -8.729 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -11.389 -12.470 -8.491 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -10.501 -12.723 -7.066 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -11.991 -11.911 -7.004 1.00 2.20 H new ATOM 410 N LEU A 27 -7.958 -10.662 -1.288 1.00 0.67 N ATOM 411 CA LEU A 27 -6.919 -10.471 -0.275 1.00 0.65 C ATOM 412 C LEU A 27 -5.612 -10.027 -0.938 1.00 0.67 C ATOM 413 O LEU A 27 -5.240 -10.548 -1.981 1.00 1.02 O ATOM 414 CB LEU A 27 -6.746 -11.798 0.496 1.00 0.76 C ATOM 415 CG LEU A 27 -5.944 -11.743 1.805 1.00 0.93 C ATOM 416 CD1 LEU A 27 -4.451 -11.759 1.554 1.00 1.31 C ATOM 417 CD2 LEU A 27 -6.317 -10.537 2.631 1.00 1.23 C ATOM 0 H LEU A 27 -8.037 -11.624 -1.618 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.205 -9.687 0.426 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.737 -12.190 0.722 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.263 -12.515 -0.168 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.203 -12.641 2.366 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -3.922 -11.719 2.506 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -4.180 -12.674 1.027 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -4.175 -10.896 0.948 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -5.731 -10.530 3.550 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.113 -9.630 2.063 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -7.378 -10.579 2.878 1.00 1.23 H new ATOM 429 N ARG A 28 -4.929 -9.050 -0.367 1.00 0.57 N ATOM 430 CA ARG A 28 -3.677 -8.567 -0.943 1.00 0.59 C ATOM 431 C ARG A 28 -2.754 -7.992 0.116 1.00 0.55 C ATOM 432 O ARG A 28 -3.189 -7.236 0.987 1.00 0.64 O ATOM 433 CB ARG A 28 -3.939 -7.530 -2.031 1.00 0.71 C ATOM 434 CG ARG A 28 -5.037 -6.548 -1.700 1.00 1.41 C ATOM 435 CD ARG A 28 -5.363 -5.693 -2.911 1.00 1.72 C ATOM 436 NE ARG A 28 -5.575 -6.511 -4.105 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.565 -7.387 -4.250 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.691 -7.195 -3.577 1.00 2.77 N ATOM 439 NH2 ARG A 28 -6.593 -8.122 -5.347 1.00 3.18 N ATOM 0 H ARG A 28 -5.214 -8.575 0.490 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.179 -9.427 -1.391 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.018 -6.978 -2.220 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.196 -8.047 -2.955 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.928 -7.085 -1.375 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.728 -5.912 -0.870 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.257 -5.102 -2.710 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -4.550 -4.990 -3.090 1.00 1.72 H new ATOM 0 HE ARG A 28 -4.919 -6.402 -4.879 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.786 -6.387 -2.962 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.462 -7.855 -3.674 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -5.868 -8.009 -6.055 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -7.340 -8.802 -5.486 1.00 3.18 H new ATOM 453 N TYR A 29 -1.478 -8.343 0.016 1.00 0.55 N ATOM 454 CA TYR A 29 -0.472 -7.863 0.952 1.00 0.59 C ATOM 455 C TYR A 29 0.024 -6.483 0.510 1.00 0.55 C ATOM 456 O TYR A 29 0.908 -6.383 -0.328 1.00 0.70 O ATOM 457 CB TYR A 29 0.711 -8.857 1.042 1.00 0.71 C ATOM 458 CG TYR A 29 0.397 -10.215 1.656 1.00 0.77 C ATOM 459 CD1 TYR A 29 -0.581 -11.060 1.145 1.00 1.38 C ATOM 460 CD2 TYR A 29 1.116 -10.655 2.771 1.00 1.46 C ATOM 461 CE1 TYR A 29 -0.833 -12.296 1.720 1.00 1.55 C ATOM 462 CE2 TYR A 29 0.870 -11.883 3.343 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.103 -12.697 2.824 1.00 1.26 C ATOM 464 OH TYR A 29 -0.345 -13.926 3.404 1.00 1.58 O ATOM 0 H TYR A 29 -1.115 -8.962 -0.709 1.00 0.55 H new ATOM 0 HA TYR A 29 -0.922 -7.783 1.942 1.00 0.59 H new ATOM 0 HB2 TYR A 29 1.103 -9.017 0.037 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.507 -8.392 1.624 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.155 -10.748 0.285 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.880 -10.019 3.192 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -1.595 -12.942 1.308 1.00 1.55 H new ATOM 0 HE2 TYR A 29 1.443 -12.205 4.200 1.00 1.63 H new ATOM 0 HH TYR A 29 0.256 -14.051 4.168 1.00 1.58 H new ATOM 474 N VAL A 30 -0.569 -5.419 1.058 1.00 0.48 N ATOM 475 CA VAL A 30 -0.178 -4.060 0.686 1.00 0.48 C ATOM 476 C VAL A 30 0.945 -3.528 1.578 1.00 0.49 C ATOM 477 O VAL A 30 0.779 -3.388 2.789 1.00 0.59 O ATOM 478 CB VAL A 30 -1.370 -3.079 0.753 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.975 -1.732 0.195 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.556 -3.646 -0.008 1.00 0.65 C ATOM 0 H VAL A 30 -1.313 -5.472 1.753 1.00 0.48 H new ATOM 0 HA VAL A 30 0.178 -4.122 -0.342 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.658 -2.946 1.796 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.825 -1.052 0.249 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.148 -1.326 0.777 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.666 -1.845 -0.844 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.391 -2.947 0.046 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.279 -3.801 -1.051 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.851 -4.598 0.434 1.00 0.65 H new ATOM 490 N PHE A 31 2.066 -3.202 0.960 1.00 0.49 N ATOM 491 CA PHE A 31 3.200 -2.653 1.680 1.00 0.54 C ATOM 492 C PHE A 31 3.739 -1.458 0.921 1.00 0.52 C ATOM 493 O PHE A 31 3.800 -1.453 -0.304 1.00 0.56 O ATOM 494 CB PHE A 31 4.349 -3.664 1.903 1.00 0.61 C ATOM 495 CG PHE A 31 4.096 -5.084 1.457 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.110 -5.413 0.111 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.883 -6.090 2.381 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.894 -6.719 -0.303 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.664 -7.395 1.974 1.00 1.49 C ATOM 500 CZ PHE A 31 3.675 -7.707 0.631 1.00 0.85 C ATOM 0 H PHE A 31 2.215 -3.309 -0.043 1.00 0.49 H new ATOM 0 HA PHE A 31 2.833 -2.372 2.667 1.00 0.54 H new ATOM 0 HB2 PHE A 31 5.233 -3.296 1.382 1.00 0.61 H new ATOM 0 HB3 PHE A 31 4.589 -3.678 2.966 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.291 -4.643 -0.625 1.00 1.22 H new ATOM 0 HD2 PHE A 31 3.888 -5.855 3.435 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.898 -6.961 -1.356 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.485 -8.167 2.707 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.512 -8.726 0.312 1.00 0.85 H new ATOM 510 N LEU A 32 4.136 -0.440 1.656 1.00 0.57 N ATOM 511 CA LEU A 32 4.684 0.744 1.047 1.00 0.59 C ATOM 512 C LEU A 32 6.180 0.722 1.248 1.00 0.67 C ATOM 513 O LEU A 32 6.652 0.608 2.379 1.00 0.84 O ATOM 514 CB LEU A 32 4.087 2.029 1.648 1.00 0.74 C ATOM 515 CG LEU A 32 2.623 1.953 2.136 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.207 3.276 2.762 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.688 1.614 1.002 1.00 1.43 C ATOM 0 H LEU A 32 4.088 -0.413 2.674 1.00 0.57 H new ATOM 0 HA LEU A 32 4.435 0.746 -0.014 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.710 2.333 2.489 1.00 0.74 H new ATOM 0 HB3 LEU A 32 4.155 2.818 0.899 1.00 0.74 H new ATOM 0 HG LEU A 32 2.561 1.162 2.884 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.173 3.209 3.102 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.854 3.496 3.611 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.295 4.072 2.023 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.665 1.567 1.375 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.758 2.381 0.231 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.964 0.648 0.579 1.00 1.43 H new ATOM 529 N PHE A 33 6.932 0.786 0.161 1.00 0.75 N ATOM 530 CA PHE A 33 8.382 0.743 0.261 1.00 0.96 C ATOM 531 C PHE A 33 9.036 1.924 -0.444 1.00 1.08 C ATOM 532 O PHE A 33 8.736 2.213 -1.604 1.00 1.56 O ATOM 533 CB PHE A 33 8.929 -0.567 -0.311 1.00 1.17 C ATOM 534 CG PHE A 33 8.479 -1.782 0.420 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.467 -1.807 1.805 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.063 -2.895 -0.279 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.072 -2.948 2.478 1.00 2.06 C ATOM 538 CE2 PHE A 33 7.663 -4.035 0.384 1.00 2.28 C ATOM 539 CZ PHE A 33 7.653 -4.057 1.764 1.00 2.01 C ATOM 0 H PHE A 33 6.569 0.867 -0.789 1.00 0.75 H new ATOM 0 HA PHE A 33 8.628 0.803 1.321 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.626 -0.650 -1.355 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.018 -0.530 -0.298 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.767 -0.931 2.361 1.00 1.79 H new ATOM 0 HD2 PHE A 33 8.050 -2.873 -1.359 1.00 2.01 H new ATOM 0 HE1 PHE A 33 8.090 -2.974 3.558 1.00 2.06 H new ATOM 0 HE2 PHE A 33 7.358 -4.908 -0.174 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.318 -4.940 2.287 1.00 2.01 H new ATOM 549 N ARG A 34 9.946 2.591 0.273 1.00 1.04 N ATOM 550 CA ARG A 34 10.671 3.740 -0.249 1.00 1.17 C ATOM 551 C ARG A 34 9.726 4.878 -0.582 1.00 1.03 C ATOM 552 O ARG A 34 9.261 5.587 0.307 1.00 1.87 O ATOM 553 CB ARG A 34 11.462 3.354 -1.497 1.00 1.83 C ATOM 554 CG ARG A 34 12.503 2.287 -1.265 1.00 2.51 C ATOM 555 CD ARG A 34 13.258 1.983 -2.548 1.00 3.05 C ATOM 556 NE ARG A 34 13.898 3.165 -3.097 1.00 3.66 N ATOM 557 CZ ARG A 34 14.554 3.179 -4.254 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.548 2.116 -5.042 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.048 4.325 -4.711 1.00 5.12 N ATOM 0 H ARG A 34 10.196 2.345 1.231 1.00 1.04 H new ATOM 0 HA ARG A 34 11.361 4.073 0.526 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.767 3.007 -2.261 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.952 4.244 -1.892 1.00 1.83 H new ATOM 0 HG2 ARG A 34 13.202 2.615 -0.495 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.025 1.380 -0.895 1.00 2.51 H new ATOM 0 HD2 ARG A 34 14.012 1.220 -2.353 1.00 3.05 H new ATOM 0 HD3 ARG A 34 12.569 1.569 -3.284 1.00 3.05 H new ATOM 0 HE ARG A 34 13.841 4.034 -2.565 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.038 1.278 -4.764 1.00 4.48 H new ATOM 0 HH12 ARG A 34 15.054 2.135 -5.928 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.923 5.184 -4.175 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.553 4.346 -5.597 1.00 5.12 H new ATOM 573 N ASN A 35 9.441 5.040 -1.864 1.00 0.98 N ATOM 574 CA ASN A 35 8.548 6.074 -2.327 1.00 1.38 C ATOM 575 C ASN A 35 7.588 5.507 -3.367 1.00 1.09 C ATOM 576 O ASN A 35 7.417 6.079 -4.448 1.00 1.24 O ATOM 577 CB ASN A 35 9.340 7.268 -2.885 1.00 2.08 C ATOM 578 CG ASN A 35 10.482 6.862 -3.792 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.280 6.251 -4.841 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.697 7.191 -3.380 1.00 3.64 N ATOM 0 H ASN A 35 9.825 4.456 -2.607 1.00 0.98 H new ATOM 0 HA ASN A 35 7.961 6.437 -1.484 1.00 1.38 H new ATOM 0 HB2 ASN A 35 8.661 7.918 -3.437 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.736 7.852 -2.054 1.00 2.08 H new ATOM 0 HD21 ASN A 35 12.511 6.937 -3.939 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.818 7.698 -2.503 1.00 3.64 H new ATOM 587 N LYS A 36 6.953 4.379 -3.034 1.00 0.89 N ATOM 588 CA LYS A 36 5.994 3.728 -3.916 1.00 0.69 C ATOM 589 C LYS A 36 5.157 2.751 -3.103 1.00 0.66 C ATOM 590 O LYS A 36 5.385 2.588 -1.899 1.00 0.77 O ATOM 591 CB LYS A 36 6.691 2.984 -5.061 1.00 0.80 C ATOM 592 CG LYS A 36 7.455 1.748 -4.627 1.00 1.05 C ATOM 593 CD LYS A 36 7.948 0.956 -5.821 1.00 1.32 C ATOM 594 CE LYS A 36 8.983 1.721 -6.621 1.00 1.84 C ATOM 595 NZ LYS A 36 9.499 0.906 -7.735 1.00 2.23 N ATOM 0 H LYS A 36 7.093 3.897 -2.146 1.00 0.89 H new ATOM 0 HA LYS A 36 5.359 4.495 -4.359 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.943 2.694 -5.799 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.380 3.668 -5.557 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.303 2.041 -4.008 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.813 1.119 -4.011 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.377 0.014 -5.479 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.104 0.707 -6.464 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.541 2.638 -7.011 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.806 2.016 -5.970 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.206 1.453 -8.267 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 9.941 0.043 -7.358 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.715 0.646 -8.367 1.00 2.23 H new ATOM 609 N ILE A 37 4.200 2.096 -3.758 1.00 0.61 N ATOM 610 CA ILE A 37 3.336 1.126 -3.084 1.00 0.60 C ATOM 611 C ILE A 37 3.335 -0.214 -3.828 1.00 0.54 C ATOM 612 O ILE A 37 3.145 -0.270 -5.046 1.00 0.75 O ATOM 613 CB ILE A 37 1.887 1.658 -2.922 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.886 2.937 -2.068 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.986 0.582 -2.312 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.490 3.467 -1.762 1.00 1.01 C ATOM 0 H ILE A 37 4.003 2.218 -4.751 1.00 0.61 H new ATOM 0 HA ILE A 37 3.744 0.970 -2.085 1.00 0.60 H new ATOM 0 HB ILE A 37 1.488 1.906 -3.906 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.403 2.737 -1.130 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.453 3.710 -2.586 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.026 0.972 -2.206 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.971 -0.292 -2.963 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.370 0.298 -1.332 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.568 4.370 -1.156 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.024 3.699 -2.695 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.074 2.711 -1.216 1.00 1.01 H new ATOM 628 N MET A 38 3.560 -1.295 -3.092 1.00 0.51 N ATOM 629 CA MET A 38 3.594 -2.636 -3.664 1.00 0.59 C ATOM 630 C MET A 38 2.606 -3.535 -2.935 1.00 0.60 C ATOM 631 O MET A 38 2.538 -3.493 -1.712 1.00 0.98 O ATOM 632 CB MET A 38 4.996 -3.251 -3.521 1.00 0.75 C ATOM 633 CG MET A 38 6.067 -2.641 -4.407 1.00 1.40 C ATOM 634 SD MET A 38 7.656 -3.462 -4.189 1.00 1.72 S ATOM 635 CE MET A 38 8.682 -2.536 -5.327 1.00 2.53 C ATOM 0 H MET A 38 3.724 -1.268 -2.086 1.00 0.51 H new ATOM 0 HA MET A 38 3.332 -2.558 -4.719 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.311 -3.157 -2.482 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.931 -4.317 -3.740 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.760 -2.712 -5.451 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.170 -1.581 -4.176 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.344 -3.219 -5.859 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.049 -2.013 -6.044 1.00 2.53 H new ATOM 0 HE3 MET A 38 9.278 -1.811 -4.772 1.00 2.53 H new ATOM 645 N PHE A 39 1.868 -4.357 -3.663 1.00 0.61 N ATOM 646 CA PHE A 39 0.937 -5.262 -3.022 1.00 0.71 C ATOM 647 C PHE A 39 0.749 -6.527 -3.849 1.00 0.72 C ATOM 648 O PHE A 39 0.488 -6.455 -5.047 1.00 1.08 O ATOM 649 CB PHE A 39 -0.409 -4.575 -2.724 1.00 1.11 C ATOM 650 CG PHE A 39 -1.156 -4.045 -3.902 1.00 0.58 C ATOM 651 CD1 PHE A 39 -2.000 -4.865 -4.623 1.00 1.31 C ATOM 652 CD2 PHE A 39 -1.045 -2.715 -4.266 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.726 -4.375 -5.685 1.00 1.69 C ATOM 654 CE2 PHE A 39 -1.764 -2.217 -5.328 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.604 -3.046 -6.041 1.00 1.57 C ATOM 0 H PHE A 39 1.896 -4.415 -4.681 1.00 0.61 H new ATOM 0 HA PHE A 39 1.366 -5.553 -2.063 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.050 -5.288 -2.205 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.227 -3.750 -2.035 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -2.092 -5.906 -4.350 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -0.388 -2.062 -3.711 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -3.387 -5.026 -6.237 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -1.670 -1.177 -5.603 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.166 -2.657 -6.877 1.00 1.57 H new ATOM 665 N THR A 40 0.887 -7.677 -3.194 1.00 0.63 N ATOM 666 CA THR A 40 0.717 -8.969 -3.849 1.00 0.74 C ATOM 667 C THR A 40 -0.727 -9.403 -3.704 1.00 0.84 C ATOM 668 O THR A 40 -1.225 -9.563 -2.589 1.00 1.16 O ATOM 669 CB THR A 40 1.669 -9.992 -3.242 1.00 0.98 C ATOM 670 OG1 THR A 40 1.874 -9.716 -1.872 1.00 1.45 O ATOM 671 CG2 THR A 40 3.019 -10.009 -3.920 1.00 1.35 C ATOM 0 H THR A 40 1.118 -7.739 -2.202 1.00 0.63 H new ATOM 0 HA THR A 40 0.955 -8.888 -4.910 1.00 0.74 H new ATOM 0 HB THR A 40 1.198 -10.965 -3.382 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.486 -10.381 -1.492 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.655 -10.756 -3.446 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.894 -10.256 -4.974 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.484 -9.027 -3.830 1.00 1.35 H new ATOM 679 N GLU A 41 -1.406 -9.532 -4.823 1.00 1.04 N ATOM 680 CA GLU A 41 -2.811 -9.880 -4.822 1.00 1.27 C ATOM 681 C GLU A 41 -3.040 -11.379 -4.717 1.00 1.20 C ATOM 682 O GLU A 41 -2.783 -12.133 -5.655 1.00 1.66 O ATOM 683 CB GLU A 41 -3.458 -9.342 -6.095 1.00 1.89 C ATOM 684 CG GLU A 41 -3.171 -7.874 -6.356 1.00 2.55 C ATOM 685 CD GLU A 41 -3.918 -7.357 -7.559 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.153 -7.225 -7.477 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.271 -7.080 -8.593 1.00 3.46 O ATOM 0 H GLU A 41 -1.005 -9.400 -5.751 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.267 -9.428 -3.941 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.107 -9.928 -6.945 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.537 -9.486 -6.032 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.448 -7.289 -5.479 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.100 -7.735 -6.507 1.00 2.55 H new ATOM 694 N GLN A 42 -3.564 -11.789 -3.589 1.00 1.08 N ATOM 695 CA GLN A 42 -3.882 -13.182 -3.359 1.00 1.24 C ATOM 696 C GLN A 42 -5.345 -13.411 -3.732 1.00 1.37 C ATOM 697 O GLN A 42 -6.232 -12.733 -3.229 1.00 1.84 O ATOM 698 CB GLN A 42 -3.621 -13.565 -1.906 1.00 1.58 C ATOM 699 CG GLN A 42 -2.166 -13.410 -1.491 1.00 2.34 C ATOM 700 CD GLN A 42 -1.239 -14.385 -2.191 1.00 2.87 C ATOM 701 OE1 GLN A 42 -1.096 -14.383 -3.418 1.00 3.26 O ATOM 702 NE2 GLN A 42 -0.577 -15.212 -1.403 1.00 3.46 N ATOM 0 H GLN A 42 -3.782 -11.173 -2.806 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.244 -13.814 -3.977 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -4.243 -12.948 -1.258 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.927 -14.600 -1.750 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.840 -12.392 -1.704 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.085 -13.551 -0.413 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -0.723 -15.182 -0.394 1.00 3.46 H new ATOM 0 HE22 GLN A 42 0.081 -15.881 -1.803 1.00 3.46 H new ATOM 711 N ASP A 43 -5.597 -14.331 -4.643 1.00 1.32 N ATOM 712 CA ASP A 43 -6.964 -14.570 -5.077 1.00 1.60 C ATOM 713 C ASP A 43 -7.463 -15.941 -4.639 1.00 1.62 C ATOM 714 O ASP A 43 -6.675 -16.839 -4.346 1.00 1.97 O ATOM 715 CB ASP A 43 -7.071 -14.392 -6.597 1.00 2.08 C ATOM 716 CG ASP A 43 -8.497 -14.377 -7.117 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.374 -13.752 -6.477 1.00 2.96 O ATOM 718 OD2 ASP A 43 -8.727 -14.940 -8.199 1.00 2.87 O ATOM 0 H ASP A 43 -4.891 -14.916 -5.091 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.609 -13.834 -4.596 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.582 -13.459 -6.879 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.525 -15.198 -7.086 1.00 2.08 H new ATOM 723 N ALA A 44 -8.787 -16.078 -4.573 1.00 1.87 N ATOM 724 CA ALA A 44 -9.421 -17.326 -4.144 1.00 2.28 C ATOM 725 C ALA A 44 -9.821 -18.197 -5.337 1.00 2.75 C ATOM 726 O ALA A 44 -10.867 -18.852 -5.329 1.00 3.39 O ATOM 727 CB ALA A 44 -10.621 -17.033 -3.268 1.00 2.82 C ATOM 0 H ALA A 44 -9.445 -15.336 -4.812 1.00 1.87 H new ATOM 0 HA ALA A 44 -8.690 -17.887 -3.562 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -11.082 -17.970 -2.957 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -10.301 -16.476 -2.387 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -11.345 -16.441 -3.828 1.00 2.82 H new ATOM 861 N TYR A 54 1.784 -9.028 -9.989 1.00 2.10 N ATOM 862 CA TYR A 54 1.196 -8.282 -8.861 1.00 2.00 C ATOM 863 C TYR A 54 1.169 -6.811 -9.243 1.00 1.62 C ATOM 864 O TYR A 54 2.156 -6.281 -9.767 1.00 1.96 O ATOM 865 CB TYR A 54 1.916 -8.497 -7.520 1.00 2.78 C ATOM 866 CG TYR A 54 3.151 -7.666 -7.302 1.00 3.45 C ATOM 867 CD1 TYR A 54 3.064 -6.328 -6.954 1.00 3.89 C ATOM 868 CD2 TYR A 54 4.397 -8.235 -7.448 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.200 -5.574 -6.747 1.00 4.87 C ATOM 870 CE2 TYR A 54 5.533 -7.497 -7.247 1.00 5.15 C ATOM 871 CZ TYR A 54 5.439 -6.168 -6.906 1.00 5.40 C ATOM 872 OH TYR A 54 6.588 -5.440 -6.711 1.00 6.50 O ATOM 0 HA TYR A 54 0.189 -8.664 -8.691 1.00 2.00 H new ATOM 0 HB2 TYR A 54 1.213 -8.288 -6.714 1.00 2.78 H new ATOM 0 HB3 TYR A 54 2.190 -9.549 -7.440 1.00 2.78 H new ATOM 0 HD1 TYR A 54 2.093 -5.869 -6.843 1.00 3.89 H new ATOM 0 HD2 TYR A 54 4.479 -9.276 -7.724 1.00 4.24 H new ATOM 0 HE1 TYR A 54 4.123 -4.534 -6.465 1.00 4.87 H new ATOM 0 HE2 TYR A 54 6.503 -7.959 -7.356 1.00 5.15 H new ATOM 0 HH TYR A 54 6.535 -4.969 -5.853 1.00 6.50 H new ATOM 882 N SER A 55 0.038 -6.168 -9.020 1.00 1.34 N ATOM 883 CA SER A 55 -0.125 -4.760 -9.376 1.00 1.50 C ATOM 884 C SER A 55 0.784 -3.847 -8.552 1.00 1.20 C ATOM 885 O SER A 55 0.824 -3.931 -7.322 1.00 1.33 O ATOM 886 CB SER A 55 -1.596 -4.347 -9.210 1.00 2.13 C ATOM 887 OG SER A 55 -2.429 -5.115 -10.056 1.00 2.61 O ATOM 0 H SER A 55 -0.785 -6.594 -8.594 1.00 1.34 H new ATOM 0 HA SER A 55 0.169 -4.646 -10.419 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.901 -4.480 -8.172 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.710 -3.288 -9.443 1.00 2.13 H new ATOM 0 HG SER A 55 -2.857 -5.826 -9.535 1.00 2.61 H new ATOM 893 N SER A 56 1.503 -2.971 -9.243 1.00 1.07 N ATOM 894 CA SER A 56 2.399 -2.022 -8.597 1.00 0.91 C ATOM 895 C SER A 56 1.745 -0.636 -8.576 1.00 0.80 C ATOM 896 O SER A 56 1.046 -0.268 -9.526 1.00 0.93 O ATOM 897 CB SER A 56 3.737 -2.000 -9.346 1.00 1.09 C ATOM 898 OG SER A 56 4.179 -3.326 -9.621 1.00 1.73 O ATOM 0 H SER A 56 1.482 -2.899 -10.260 1.00 1.07 H new ATOM 0 HA SER A 56 2.589 -2.322 -7.566 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.629 -1.446 -10.279 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.485 -1.478 -8.750 1.00 1.09 H new ATOM 0 HG SER A 56 4.124 -3.865 -8.805 1.00 1.73 H new ATOM 904 N ILE A 57 1.955 0.115 -7.501 1.00 0.68 N ATOM 905 CA ILE A 57 1.381 1.443 -7.367 1.00 0.67 C ATOM 906 C ILE A 57 2.473 2.511 -7.330 1.00 0.63 C ATOM 907 O ILE A 57 3.548 2.304 -6.762 1.00 0.81 O ATOM 908 CB ILE A 57 0.491 1.538 -6.102 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.842 0.825 -6.345 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.261 2.984 -5.680 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.658 1.421 -7.472 1.00 0.81 C ATOM 0 H ILE A 57 2.523 -0.178 -6.706 1.00 0.68 H new ATOM 0 HA ILE A 57 0.755 1.623 -8.241 1.00 0.67 H new ATOM 0 HB ILE A 57 1.015 1.044 -5.284 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.647 -0.224 -6.566 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.431 0.854 -5.428 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.367 3.008 -4.790 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.219 3.456 -5.461 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.233 3.524 -6.487 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.587 0.862 -7.583 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.886 2.463 -7.245 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.089 1.368 -8.400 1.00 0.81 H new ATOM 923 N ARG A 58 2.165 3.659 -7.916 1.00 0.66 N ATOM 924 CA ARG A 58 3.085 4.781 -7.943 1.00 0.73 C ATOM 925 C ARG A 58 2.670 5.779 -6.892 1.00 0.75 C ATOM 926 O ARG A 58 1.505 6.161 -6.829 1.00 0.91 O ATOM 927 CB ARG A 58 3.075 5.497 -9.286 1.00 0.96 C ATOM 928 CG ARG A 58 4.374 6.198 -9.630 1.00 1.24 C ATOM 929 CD ARG A 58 4.186 7.091 -10.832 1.00 1.86 C ATOM 930 NE ARG A 58 3.694 6.335 -11.983 1.00 2.47 N ATOM 931 CZ ARG A 58 3.452 6.867 -13.171 1.00 2.95 C ATOM 932 NH1 ARG A 58 3.564 8.178 -13.344 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.029 6.101 -14.162 1.00 3.70 N ATOM 0 H ARG A 58 1.275 3.836 -8.383 1.00 0.66 H new ATOM 0 HA ARG A 58 4.085 4.389 -7.761 1.00 0.73 H new ATOM 0 HB2 ARG A 58 2.848 4.773 -10.069 1.00 0.96 H new ATOM 0 HB3 ARG A 58 2.269 6.231 -9.287 1.00 0.96 H new ATOM 0 HG2 ARG A 58 4.712 6.789 -8.779 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.150 5.460 -9.835 1.00 1.24 H new ATOM 0 HD2 ARG A 58 3.483 7.888 -10.590 1.00 1.86 H new ATOM 0 HD3 ARG A 58 5.133 7.568 -11.085 1.00 1.86 H new ATOM 0 HE ARG A 58 3.527 5.336 -11.863 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.836 8.774 -12.562 1.00 3.22 H new ATOM 0 HH12 ARG A 58 3.378 8.589 -14.259 1.00 3.22 H new ATOM 0 HH21 ARG A 58 2.890 5.102 -14.011 1.00 3.70 H new ATOM 0 HH22 ARG A 58 2.842 6.509 -15.078 1.00 3.70 H new ATOM 947 N LEU A 59 3.615 6.189 -6.077 1.00 0.85 N ATOM 948 CA LEU A 59 3.348 7.139 -5.015 1.00 1.02 C ATOM 949 C LEU A 59 3.511 8.567 -5.515 1.00 1.15 C ATOM 950 O LEU A 59 3.057 9.524 -4.874 1.00 1.59 O ATOM 951 CB LEU A 59 4.300 6.864 -3.849 1.00 1.28 C ATOM 952 CG LEU A 59 3.860 7.396 -2.477 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.760 6.522 -1.898 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.036 7.479 -1.511 1.00 1.79 C ATOM 0 H LEU A 59 4.585 5.877 -6.128 1.00 0.85 H new ATOM 0 HA LEU A 59 2.318 7.022 -4.678 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.442 5.786 -3.769 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.271 7.297 -4.089 1.00 1.28 H new ATOM 0 HG LEU A 59 3.471 8.404 -2.618 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.459 6.912 -0.926 1.00 1.35 H new ATOM 0 HD12 LEU A 59 1.902 6.523 -2.571 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.128 5.503 -1.782 1.00 1.35 H new ATOM 0 HD21 LEU A 59 4.691 7.859 -0.549 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.466 6.487 -1.376 1.00 1.79 H new ATOM 0 HD23 LEU A 59 5.793 8.151 -1.916 1.00 1.79 H new ATOM 966 N ASP A 60 4.205 8.704 -6.634 1.00 1.13 N ATOM 967 CA ASP A 60 4.512 10.004 -7.227 1.00 1.33 C ATOM 968 C ASP A 60 3.315 10.868 -7.601 1.00 1.33 C ATOM 969 O ASP A 60 3.214 12.018 -7.177 1.00 1.56 O ATOM 970 CB ASP A 60 5.314 9.808 -8.512 1.00 1.46 C ATOM 971 CG ASP A 60 6.713 9.291 -8.282 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.853 8.148 -7.810 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.679 10.014 -8.609 1.00 2.27 O ATOM 0 H ASP A 60 4.575 7.914 -7.162 1.00 1.13 H new ATOM 0 HA ASP A 60 5.057 10.525 -6.439 1.00 1.33 H new ATOM 0 HB2 ASP A 60 4.781 9.112 -9.160 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.370 10.758 -9.043 1.00 1.46 H new ATOM 978 N LYS A 61 2.448 10.355 -8.461 1.00 1.22 N ATOM 979 CA LYS A 61 1.339 11.160 -8.944 1.00 1.28 C ATOM 980 C LYS A 61 -0.017 10.479 -8.835 1.00 1.06 C ATOM 981 O LYS A 61 -0.651 10.167 -9.846 1.00 1.27 O ATOM 982 CB LYS A 61 1.616 11.571 -10.398 1.00 1.60 C ATOM 983 CG LYS A 61 2.759 12.558 -10.506 1.00 1.93 C ATOM 984 CD LYS A 61 3.224 12.756 -11.931 1.00 2.55 C ATOM 985 CE LYS A 61 4.287 13.836 -12.022 1.00 3.16 C ATOM 986 NZ LYS A 61 5.415 13.613 -11.084 1.00 3.92 N ATOM 0 H LYS A 61 2.489 9.406 -8.832 1.00 1.22 H new ATOM 0 HA LYS A 61 1.277 12.035 -8.297 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.848 10.683 -10.987 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.716 12.012 -10.827 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.446 13.517 -10.093 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.595 12.208 -9.900 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.622 11.818 -12.319 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.374 13.026 -12.558 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.671 13.877 -13.041 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.833 14.805 -11.813 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 6.198 14.253 -11.325 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 5.100 13.802 -10.111 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 5.739 12.627 -11.158 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.493 10.297 -7.616 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.808 9.720 -7.400 1.00 0.69 C ATOM 1002 C TYR A 62 -2.455 10.410 -6.201 1.00 0.67 C ATOM 1003 O TYR A 62 -1.791 10.667 -5.196 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.730 8.197 -7.197 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.355 7.782 -5.789 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -0.132 8.138 -5.219 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -2.239 7.047 -5.017 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.183 7.766 -3.921 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.933 6.674 -3.728 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.727 7.036 -3.180 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.430 6.648 -1.898 1.00 2.21 O ATOM 0 H TYR A 62 0.010 10.540 -6.762 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.422 9.882 -8.286 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.695 7.757 -7.450 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -1.000 7.785 -7.893 1.00 0.70 H new ATOM 0 HD1 TYR A 62 0.578 8.711 -5.797 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -3.192 6.759 -5.437 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.134 8.045 -3.492 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.640 6.098 -3.149 1.00 1.84 H new ATOM 0 HH TYR A 62 -0.576 7.400 -1.287 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.737 10.730 -6.296 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.429 11.397 -5.195 1.00 0.73 C ATOM 1023 C ASN A 63 -5.129 10.362 -4.330 1.00 0.64 C ATOM 1024 O ASN A 63 -6.109 9.745 -4.733 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.442 12.414 -5.694 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.830 13.425 -4.622 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.832 14.124 -4.760 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -5.042 13.533 -3.551 1.00 2.13 N ATOM 0 H ASN A 63 -4.317 10.543 -7.114 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.682 11.932 -4.609 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.029 12.941 -6.554 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.336 11.893 -6.038 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.265 14.209 -2.820 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.217 12.940 -3.463 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.610 10.175 -3.141 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.161 9.207 -2.205 1.00 0.70 C ATOM 1037 C ILE A 64 -5.971 9.932 -1.125 1.00 0.79 C ATOM 1038 O ILE A 64 -5.530 10.957 -0.600 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.035 8.330 -1.597 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.619 7.206 -0.737 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.038 9.168 -0.802 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.642 6.076 -0.496 1.00 1.18 C ATOM 0 H ILE A 64 -3.798 10.683 -2.790 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.836 8.536 -2.736 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.491 7.874 -2.425 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.934 7.617 0.222 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.511 6.810 -1.223 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.264 8.520 -0.391 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.581 9.909 -1.458 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.556 9.675 0.012 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.115 5.311 0.120 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.346 5.642 -1.451 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.760 6.460 0.017 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.172 9.425 -0.831 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.071 10.067 0.140 1.00 0.80 C ATOM 1056 C ARG A 65 -8.724 9.040 1.081 1.00 0.68 C ATOM 1057 O ARG A 65 -8.242 7.914 1.215 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.182 10.821 -0.608 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.694 11.878 -1.595 1.00 1.24 C ATOM 1060 CD ARG A 65 -7.866 12.951 -0.913 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.598 13.663 0.143 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.119 14.739 0.770 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -7.070 15.368 0.254 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -8.816 15.321 1.740 1.00 3.57 N ATOM 0 H ARG A 65 -7.546 8.573 -1.249 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.472 10.753 0.738 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.792 10.096 -1.147 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.831 11.302 0.124 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.099 11.400 -2.373 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.551 12.339 -2.087 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -6.974 12.494 -0.483 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.528 13.670 -1.660 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.520 13.317 0.411 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.644 15.027 -0.608 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -6.690 16.192 0.719 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -9.725 14.946 2.011 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -8.442 16.143 2.214 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.841 9.445 1.701 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.593 8.594 2.613 1.00 0.83 C ATOM 1080 C GLN A 66 -12.088 8.895 2.445 1.00 0.99 C ATOM 1081 O GLN A 66 -12.459 10.029 2.167 1.00 1.30 O ATOM 1082 CB GLN A 66 -10.131 8.819 4.053 1.00 0.97 C ATOM 1083 CG GLN A 66 -10.340 10.239 4.554 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.867 10.433 5.985 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -10.036 11.499 6.575 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -9.254 9.399 6.555 1.00 2.45 N ATOM 0 H GLN A 66 -10.243 10.374 1.579 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.416 7.544 2.380 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -10.667 8.131 4.707 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -9.072 8.570 4.127 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.807 10.932 3.903 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -11.399 10.491 4.489 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.131 8.530 6.036 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -8.907 9.476 7.511 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.938 7.869 2.542 1.00 0.94 N ATOM 1096 CA HIS A 67 -14.381 8.053 2.330 1.00 1.14 C ATOM 1097 C HIS A 67 -15.271 7.607 3.498 1.00 1.30 C ATOM 1098 O HIS A 67 -15.183 8.149 4.601 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.796 7.281 1.081 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.437 7.956 -0.217 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.726 9.273 -0.491 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.825 7.473 -1.322 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.312 9.575 -1.709 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.761 8.494 -2.238 1.00 1.61 N ATOM 0 H HIS A 67 -12.659 6.913 2.763 1.00 0.94 H new ATOM 0 HA HIS A 67 -14.532 9.128 2.229 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.329 6.296 1.106 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.874 7.123 1.108 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.454 6.468 -1.459 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.407 10.537 -2.190 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.356 8.430 -3.172 1.00 1.61 H new ATOM 1113 N THR A 68 -16.168 6.650 3.206 1.00 1.74 N ATOM 1114 CA THR A 68 -17.147 6.131 4.163 1.00 2.04 C ATOM 1115 C THR A 68 -16.483 5.481 5.381 1.00 1.92 C ATOM 1116 O THR A 68 -15.261 5.525 5.515 1.00 2.16 O ATOM 1117 CB THR A 68 -18.060 5.128 3.458 1.00 2.74 C ATOM 1118 OG1 THR A 68 -18.077 5.393 2.059 1.00 3.12 O ATOM 1119 CG2 THR A 68 -19.495 5.162 3.952 1.00 3.23 C ATOM 0 H THR A 68 -16.230 6.213 2.286 1.00 1.74 H new ATOM 0 HA THR A 68 -17.732 6.973 4.534 1.00 2.04 H new ATOM 0 HB THR A 68 -17.650 4.143 3.681 1.00 2.74 H new ATOM 0 HG1 THR A 68 -18.662 4.747 1.611 1.00 3.12 H new ATOM 0 HG21 THR A 68 -20.085 4.425 3.408 1.00 3.23 H new ATOM 0 HG22 THR A 68 -19.519 4.931 5.017 1.00 3.23 H new ATOM 0 HG23 THR A 68 -19.913 6.155 3.787 1.00 3.23 H new ATOM 1127 N THR A 69 -17.311 4.917 6.283 1.00 2.34 N ATOM 1128 CA THR A 69 -16.822 4.319 7.515 1.00 2.58 C ATOM 1129 C THR A 69 -16.165 5.455 8.281 1.00 2.35 C ATOM 1130 O THR A 69 -14.947 5.624 8.245 1.00 2.76 O ATOM 1131 CB THR A 69 -15.864 3.155 7.235 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.363 2.341 6.182 1.00 3.61 O ATOM 1133 CG2 THR A 69 -15.654 2.241 8.434 1.00 3.69 C ATOM 0 H THR A 69 -18.323 4.869 6.169 1.00 2.34 H new ATOM 0 HA THR A 69 -17.626 3.873 8.101 1.00 2.58 H new ATOM 0 HB THR A 69 -14.915 3.624 6.975 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.003 1.693 6.544 1.00 3.61 H new ATOM 0 HG21 THR A 69 -14.966 1.440 8.165 1.00 3.69 H new ATOM 0 HG22 THR A 69 -15.237 2.816 9.261 1.00 3.69 H new ATOM 0 HG23 THR A 69 -16.609 1.812 8.736 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.021 6.281 8.901 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.592 7.478 9.584 1.00 2.43 C ATOM 1143 C ASP A 70 -15.809 8.309 8.576 1.00 2.17 C ATOM 1144 O ASP A 70 -16.392 8.878 7.647 1.00 2.45 O ATOM 1145 CB ASP A 70 -15.753 7.151 10.808 1.00 3.01 C ATOM 1146 CG ASP A 70 -16.435 6.196 11.759 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.531 6.520 12.260 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -15.871 5.108 12.017 1.00 3.96 O ATOM 0 H ASP A 70 -18.028 6.124 8.934 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.453 8.036 9.953 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -14.806 6.718 10.486 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -15.518 8.075 11.337 1.00 3.01 H new ATOM 1153 N GLU A 71 -14.491 8.295 8.703 1.00 2.04 N ATOM 1154 CA GLU A 71 -13.599 8.960 7.762 1.00 2.00 C ATOM 1155 C GLU A 71 -12.252 8.262 7.809 1.00 1.55 C ATOM 1156 O GLU A 71 -11.340 8.725 8.497 1.00 1.90 O ATOM 1157 CB GLU A 71 -13.405 10.435 8.065 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.621 11.286 7.768 1.00 3.30 C ATOM 1159 CD GLU A 71 -14.309 12.764 7.755 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -13.858 13.296 8.789 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -14.508 13.409 6.703 1.00 4.50 O ATOM 0 H GLU A 71 -14.007 7.820 9.465 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.054 8.898 6.773 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -13.142 10.549 9.117 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -12.562 10.808 7.484 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.034 10.997 6.801 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.390 11.088 8.515 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.141 7.160 7.081 1.00 1.31 N ATOM 1169 CA ASP A 72 -10.887 6.410 7.051 1.00 1.10 C ATOM 1170 C ASP A 72 -10.855 5.256 6.037 1.00 0.90 C ATOM 1171 O ASP A 72 -9.933 4.431 6.102 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.505 5.904 8.457 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.575 5.089 9.148 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -12.455 4.525 8.469 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -11.517 4.977 10.392 1.00 2.67 O ATOM 0 H ASP A 72 -12.890 6.767 6.510 1.00 1.31 H new ATOM 0 HA ASP A 72 -10.141 7.126 6.707 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.602 5.299 8.378 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.260 6.762 9.083 1.00 1.58 H new ATOM 1180 N THR A 73 -11.766 5.228 5.060 1.00 0.74 N ATOM 1181 CA THR A 73 -11.680 4.191 4.025 1.00 0.65 C ATOM 1182 C THR A 73 -10.701 4.744 3.013 1.00 0.60 C ATOM 1183 O THR A 73 -10.932 5.816 2.462 1.00 0.79 O ATOM 1184 CB THR A 73 -13.038 3.877 3.390 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.944 3.418 4.371 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.953 2.814 2.308 1.00 0.94 C ATOM 0 H THR A 73 -12.542 5.882 4.963 1.00 0.74 H new ATOM 0 HA THR A 73 -11.352 3.238 4.441 1.00 0.65 H new ATOM 0 HB THR A 73 -13.380 4.808 2.939 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.324 4.184 4.850 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.946 2.634 1.896 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.287 3.154 1.515 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.565 1.890 2.736 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.594 4.074 2.809 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.574 4.587 1.925 1.00 0.52 C ATOM 1196 C ILE A 74 -8.836 4.254 0.459 1.00 0.50 C ATOM 1197 O ILE A 74 -9.101 3.111 0.097 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.175 4.061 2.346 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.908 4.382 3.820 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.090 4.667 1.472 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.964 5.862 4.145 1.00 0.99 C ATOM 0 H ILE A 74 -9.376 3.176 3.240 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.601 5.673 2.017 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.161 2.979 2.214 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.639 3.857 4.435 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.926 3.997 4.094 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.117 4.286 1.783 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.269 4.398 0.431 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.104 5.752 1.574 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.765 6.009 5.207 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.214 6.392 3.558 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.954 6.250 3.904 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.759 5.274 -0.369 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.966 5.133 -1.786 1.00 0.45 C ATOM 1215 C VAL A 75 -7.868 5.905 -2.503 1.00 0.46 C ATOM 1216 O VAL A 75 -7.378 6.907 -1.986 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.337 5.664 -2.226 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.470 4.956 -1.508 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.436 7.173 -2.021 1.00 1.19 C ATOM 0 H VAL A 75 -8.550 6.227 -0.072 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.935 4.073 -2.039 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.434 5.454 -3.291 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.424 5.360 -1.847 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.429 3.889 -1.727 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.372 5.109 -0.433 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.418 7.520 -2.342 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.295 7.407 -0.966 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.665 7.671 -2.609 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.481 5.454 -3.677 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.437 6.123 -4.435 1.00 0.58 C ATOM 1231 C LEU A 76 -6.889 6.387 -5.867 1.00 0.59 C ATOM 1232 O LEU A 76 -7.176 5.455 -6.627 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.139 5.301 -4.417 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.313 3.808 -4.640 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.252 3.301 -5.589 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.279 3.036 -3.315 1.00 0.75 C ATOM 0 H LEU A 76 -7.871 4.628 -4.130 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.238 7.084 -3.961 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.471 5.691 -5.185 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.645 5.453 -3.457 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.293 3.640 -5.087 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.384 2.230 -5.744 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.340 3.819 -6.544 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.265 3.488 -5.165 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.406 1.971 -3.511 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.321 3.202 -2.822 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.085 3.385 -2.670 1.00 0.75 H new ATOM 1248 N GLN A 77 -6.961 7.664 -6.205 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.378 8.109 -7.530 1.00 0.74 C ATOM 1250 C GLN A 77 -6.187 8.673 -8.304 1.00 0.78 C ATOM 1251 O GLN A 77 -5.687 9.756 -7.997 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.471 9.172 -7.403 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.714 8.667 -6.689 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.635 9.790 -6.277 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -11.164 10.509 -7.118 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.822 9.941 -4.978 1.00 2.03 N ATOM 0 H GLN A 77 -6.731 8.426 -5.567 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.774 7.253 -8.077 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.073 10.031 -6.863 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.747 9.521 -8.398 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.252 7.980 -7.343 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.418 8.101 -5.806 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.358 9.315 -4.320 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.431 10.683 -4.633 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.727 7.957 -9.336 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.602 8.393 -10.167 1.00 0.99 C ATOM 1267 C PRO A 78 -4.929 9.650 -10.957 1.00 1.02 C ATOM 1268 O PRO A 78 -6.087 9.904 -11.289 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.398 7.223 -11.134 1.00 1.43 C ATOM 1270 CG PRO A 78 -5.724 6.553 -11.185 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.285 6.676 -9.798 1.00 1.20 C ATOM 0 HA PRO A 78 -3.726 8.635 -9.565 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.090 7.571 -12.120 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -3.623 6.544 -10.779 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.377 7.029 -11.917 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -5.625 5.508 -11.478 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.375 6.687 -9.802 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -5.977 5.847 -9.161 1.00 1.20 H new ATOM 1279 N GLN A 79 -3.905 10.416 -11.287 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.099 11.611 -12.074 1.00 1.56 C ATOM 1281 C GLN A 79 -3.407 11.409 -13.424 1.00 1.66 C ATOM 1282 O GLN A 79 -3.348 12.306 -14.263 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.583 12.866 -11.350 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.099 12.840 -11.045 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.597 14.142 -10.426 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -0.388 14.329 -10.255 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.503 15.034 -10.053 1.00 3.46 N ATOM 0 H GLN A 79 -2.938 10.230 -11.022 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.165 11.777 -12.229 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.802 13.741 -11.962 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.133 12.985 -10.416 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.887 12.015 -10.365 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.548 12.644 -11.965 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -3.494 14.850 -10.208 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -2.209 15.905 -9.611 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.933 10.182 -13.641 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.281 9.822 -14.894 1.00 1.81 C ATOM 1298 C GLU A 80 -2.877 8.527 -15.438 1.00 1.62 C ATOM 1299 O GLU A 80 -2.851 7.494 -14.768 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.773 9.650 -14.732 1.00 2.37 C ATOM 1301 CG GLU A 80 0.013 10.948 -14.657 1.00 3.06 C ATOM 1302 CD GLU A 80 1.507 10.728 -14.789 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.931 9.566 -14.937 1.00 4.35 O ATOM 1304 OE2 GLU A 80 2.262 11.722 -14.776 1.00 4.42 O ATOM 0 H GLU A 80 -2.990 9.422 -12.963 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.453 10.641 -15.592 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.583 9.074 -13.827 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.397 9.062 -15.569 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.324 11.619 -15.447 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.196 11.442 -13.708 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.421 8.567 -16.664 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.028 7.395 -17.308 1.00 2.28 C ATOM 1313 C PRO A 81 -3.034 6.242 -17.441 1.00 2.24 C ATOM 1314 O PRO A 81 -2.006 6.362 -18.115 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.436 7.902 -18.696 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.518 9.382 -18.554 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.496 9.758 -17.519 1.00 2.53 C ATOM 0 HA PRO A 81 -4.863 7.003 -16.728 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.704 7.618 -19.452 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.393 7.481 -19.005 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -4.312 9.877 -19.503 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -5.517 9.689 -18.245 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.532 9.988 -17.972 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -3.802 10.639 -16.954 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.350 5.146 -16.774 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.504 3.966 -16.790 1.00 2.10 C ATOM 1327 C GLY A 82 -2.372 3.382 -15.399 1.00 1.96 C ATOM 1328 O GLY A 82 -2.138 2.186 -15.226 1.00 2.51 O ATOM 0 H GLY A 82 -4.194 5.049 -16.210 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.925 3.220 -17.464 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.518 4.225 -17.176 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.577 4.230 -14.396 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.528 3.808 -12.999 1.00 1.40 C ATOM 1334 C LEU A 83 -3.930 3.393 -12.583 1.00 1.22 C ATOM 1335 O LEU A 83 -4.888 4.117 -12.841 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.016 4.917 -12.088 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.630 4.464 -10.669 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -0.458 3.499 -10.713 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -1.308 5.665 -9.794 1.00 1.26 C ATOM 0 H LEU A 83 -2.780 5.221 -14.526 1.00 1.57 H new ATOM 0 HA LEU A 83 -1.833 2.974 -12.903 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.146 5.379 -12.555 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -2.783 5.688 -12.012 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.482 3.942 -10.232 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.202 3.191 -9.699 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -0.731 2.622 -11.300 1.00 1.86 H new ATOM 0 HD13 LEU A 83 0.401 3.990 -11.171 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -1.037 5.325 -8.794 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.474 6.218 -10.227 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.181 6.315 -9.732 1.00 1.26 H new ATOM 1351 N PRO A 84 -4.071 2.222 -11.965 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.370 1.703 -11.542 1.00 1.29 C ATOM 1353 C PRO A 84 -5.868 2.322 -10.243 1.00 1.09 C ATOM 1354 O PRO A 84 -5.098 2.906 -9.485 1.00 1.15 O ATOM 1355 CB PRO A 84 -5.128 0.206 -11.343 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.696 -0.044 -11.721 1.00 1.75 C ATOM 1357 CD PRO A 84 -2.994 1.281 -11.652 1.00 1.64 C ATOM 0 HA PRO A 84 -6.137 1.934 -12.281 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.313 -0.084 -10.309 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -5.803 -0.383 -11.965 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.236 -0.761 -11.042 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -3.628 -0.466 -12.724 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -2.568 1.464 -10.666 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.176 1.346 -12.370 1.00 1.64 H new ATOM 1365 N SER A 85 -7.173 2.205 -9.994 1.00 0.99 N ATOM 1366 CA SER A 85 -7.765 2.754 -8.791 1.00 0.88 C ATOM 1367 C SER A 85 -8.619 1.708 -8.049 1.00 0.63 C ATOM 1368 O SER A 85 -9.526 1.112 -8.623 1.00 0.82 O ATOM 1369 CB SER A 85 -8.610 3.982 -9.150 1.00 1.23 C ATOM 1370 OG SER A 85 -9.413 3.746 -10.291 1.00 1.43 O ATOM 0 H SER A 85 -7.833 1.734 -10.613 1.00 0.99 H new ATOM 0 HA SER A 85 -6.961 3.051 -8.118 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.246 4.246 -8.305 1.00 1.23 H new ATOM 0 HB3 SER A 85 -7.955 4.834 -9.335 1.00 1.23 H new ATOM 0 HG SER A 85 -9.766 2.832 -10.259 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.307 1.514 -6.779 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.032 0.551 -5.937 1.00 0.64 C ATOM 1378 C PHE A 86 -9.189 1.113 -4.526 1.00 0.57 C ATOM 1379 O PHE A 86 -8.523 2.077 -4.158 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.295 -0.802 -5.932 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.005 -0.849 -5.155 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.942 -0.011 -5.476 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.841 -1.773 -4.145 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.750 -0.094 -4.782 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.661 -1.856 -3.440 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.610 -1.014 -3.760 1.00 0.75 C ATOM 0 H PHE A 86 -7.555 2.008 -6.298 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.029 0.385 -6.344 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.968 -1.558 -5.527 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.085 -1.082 -6.964 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.049 0.710 -6.273 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.652 -2.443 -3.902 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.929 0.559 -5.038 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.556 -2.575 -2.641 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.682 -1.076 -3.212 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.079 0.518 -3.751 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.324 0.951 -2.392 1.00 0.57 C ATOM 1398 C ARG A 87 -9.694 -0.024 -1.399 1.00 0.57 C ATOM 1399 O ARG A 87 -9.635 -1.224 -1.663 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.833 1.007 -2.175 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.483 -0.296 -2.582 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.985 -0.297 -2.398 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.705 0.462 -3.419 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.684 0.190 -4.727 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.965 -0.820 -5.198 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.460 0.872 -5.555 1.00 2.41 N ATOM 0 H ARG A 87 -10.648 -0.275 -4.047 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.880 1.933 -2.232 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.047 1.213 -1.126 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -12.258 1.827 -2.754 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.252 -0.499 -3.628 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.051 -1.108 -1.997 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -14.342 -1.327 -2.405 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -14.222 0.116 -1.417 1.00 1.24 H new ATOM 0 HE ARG A 87 -15.264 1.257 -3.110 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.420 -1.399 -4.560 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -13.957 -1.017 -6.199 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -16.072 1.604 -5.194 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -15.445 0.666 -6.554 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.214 0.477 -0.266 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.609 -0.382 0.749 1.00 0.54 C ATOM 1422 C ILE A 88 -9.138 -0.077 2.143 1.00 0.59 C ATOM 1423 O ILE A 88 -8.975 1.032 2.661 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.063 -0.328 0.741 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.568 1.076 0.369 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.517 -1.380 -0.214 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.061 1.174 0.274 1.00 0.74 C ATOM 0 H ILE A 88 -9.231 1.468 -0.027 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.902 -1.397 0.483 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.694 -0.547 1.743 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.005 1.366 -0.586 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.925 1.788 1.113 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.428 -1.339 -0.217 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.842 -2.369 0.110 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.890 -1.187 -1.220 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.779 2.193 0.008 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.618 0.914 1.236 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.699 0.486 -0.490 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.768 -1.078 2.745 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.313 -0.978 4.083 1.00 0.74 C ATOM 1441 C LYS A 89 -10.043 -2.303 4.800 1.00 0.85 C ATOM 1442 O LYS A 89 -9.900 -3.342 4.142 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.828 -0.678 4.054 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.710 -1.909 3.947 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.022 -1.704 4.700 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.781 -0.492 4.183 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.982 -0.174 5.006 1.00 2.46 N ATOM 0 H LYS A 89 -9.914 -1.989 2.310 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.836 -0.153 4.612 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.095 -0.132 4.959 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.040 -0.020 3.211 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.917 -2.123 2.899 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.185 -2.774 4.352 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.643 -2.594 4.598 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.816 -1.579 5.763 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.115 0.371 4.170 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.088 -0.673 3.153 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.842 -0.341 4.445 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.996 -0.782 5.849 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.948 0.823 5.299 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.982 -2.313 6.134 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.747 -3.537 6.898 1.00 1.30 C ATOM 1463 C PRO A 90 -11.043 -4.303 7.089 1.00 1.47 C ATOM 1464 O PRO A 90 -11.644 -4.276 8.160 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.217 -3.010 8.234 1.00 1.59 C ATOM 1466 CG PRO A 90 -9.894 -1.689 8.396 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.161 -1.151 7.008 1.00 1.29 C ATOM 0 HA PRO A 90 -9.062 -4.230 6.410 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.459 -3.686 9.054 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.132 -2.903 8.219 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -10.825 -1.799 8.952 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.265 -1.001 8.961 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.168 -0.742 6.926 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.469 -0.349 6.751 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.491 -4.965 6.036 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.732 -5.719 6.099 1.00 1.72 C ATOM 1477 C LYS A 91 -12.542 -6.962 6.971 1.00 2.02 C ATOM 1478 O LYS A 91 -13.320 -7.214 7.899 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.187 -6.094 4.686 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.430 -6.960 4.645 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.662 -6.196 5.110 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.844 -7.099 5.370 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.196 -7.957 4.201 1.00 4.13 N ATOM 0 H LYS A 91 -11.018 -4.996 5.133 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.510 -5.104 6.552 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.375 -5.180 4.122 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.375 -6.618 4.182 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.588 -7.322 3.629 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.285 -7.836 5.277 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.422 -5.647 6.021 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.933 -5.458 4.355 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.625 -7.736 6.227 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -17.707 -6.489 5.638 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.073 -8.478 4.404 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -17.335 -7.360 3.361 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.426 -8.632 4.022 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.526 -7.753 6.643 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.233 -8.987 7.373 1.00 2.92 C ATOM 1499 C ASP A 92 -10.392 -8.706 8.616 1.00 2.79 C ATOM 1500 O ASP A 92 -10.182 -7.544 8.978 1.00 3.27 O ATOM 1501 CB ASP A 92 -10.499 -9.973 6.450 1.00 3.81 C ATOM 1502 CG ASP A 92 -10.856 -11.430 6.730 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -10.551 -11.935 7.836 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -11.436 -12.090 5.840 1.00 5.11 O ATOM 0 H ASP A 92 -10.886 -7.562 5.872 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.176 -9.426 7.698 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -10.739 -9.739 5.413 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -9.424 -9.839 6.566 1.00 3.81 H new ATOM 1509 N PHE A 93 -9.912 -9.771 9.249 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.080 -9.669 10.453 1.00 2.95 C ATOM 1511 C PHE A 93 -9.850 -9.053 11.638 1.00 3.05 C ATOM 1512 O PHE A 93 -11.004 -9.410 11.885 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.784 -8.895 10.160 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.857 -9.606 9.211 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -6.355 -10.865 9.519 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -6.492 -9.022 8.011 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -5.506 -11.520 8.649 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -5.646 -9.677 7.139 1.00 5.30 C ATOM 1519 CZ PHE A 93 -5.152 -10.925 7.461 1.00 5.69 C ATOM 0 H PHE A 93 -10.086 -10.730 8.946 1.00 2.71 H new ATOM 0 HA PHE A 93 -8.808 -10.682 10.748 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.039 -7.921 9.743 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.260 -8.713 11.098 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -6.632 -11.337 10.450 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -6.873 -8.044 7.754 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -5.121 -12.497 8.901 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -5.370 -9.213 6.204 1.00 5.30 H new ATOM 0 HZ PHE A 93 -4.487 -11.434 6.779 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.212 -8.138 12.360 1.00 3.44 N ATOM 1530 CA GLU A 94 -9.841 -7.488 13.516 1.00 3.96 C ATOM 1531 C GLU A 94 -8.933 -6.425 14.107 1.00 3.75 C ATOM 1532 O GLU A 94 -9.235 -5.241 14.058 1.00 4.15 O ATOM 1533 CB GLU A 94 -10.175 -8.519 14.593 1.00 4.82 C ATOM 1534 CG GLU A 94 -10.833 -7.913 15.821 1.00 5.73 C ATOM 1535 CD GLU A 94 -11.300 -8.958 16.806 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -11.093 -10.160 16.553 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -11.893 -8.573 17.837 1.00 6.69 O ATOM 0 H GLU A 94 -8.260 -7.826 12.169 1.00 3.44 H new ATOM 0 HA GLU A 94 -10.759 -7.014 13.168 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -10.837 -9.275 14.170 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.260 -9.029 14.894 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -10.127 -7.244 16.314 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -11.684 -7.306 15.511 1.00 5.73 H new ATOM 1544 N THR A 95 -7.807 -6.861 14.662 1.00 3.56 N ATOM 1545 CA THR A 95 -6.841 -5.964 15.277 1.00 3.57 C ATOM 1546 C THR A 95 -6.114 -5.142 14.219 1.00 3.11 C ATOM 1547 O THR A 95 -5.217 -4.361 14.515 1.00 3.46 O ATOM 1548 CB THR A 95 -5.848 -6.782 16.098 1.00 4.37 C ATOM 1549 OG1 THR A 95 -6.503 -7.893 16.709 1.00 4.92 O ATOM 1550 CG2 THR A 95 -5.179 -5.989 17.198 1.00 4.79 C ATOM 0 H THR A 95 -7.541 -7.845 14.697 1.00 3.56 H new ATOM 0 HA THR A 95 -7.366 -5.269 15.933 1.00 3.57 H new ATOM 0 HB THR A 95 -5.084 -7.105 15.391 1.00 4.37 H new ATOM 0 HG1 THR A 95 -5.854 -8.409 17.231 1.00 4.92 H new ATOM 0 HG21 THR A 95 -4.487 -6.632 17.741 1.00 4.79 H new ATOM 0 HG22 THR A 95 -4.632 -5.153 16.763 1.00 4.79 H new ATOM 0 HG23 THR A 95 -5.936 -5.609 17.885 1.00 4.79 H new ATOM 1558 N SER A 96 -6.527 -5.316 12.986 1.00 2.83 N ATOM 1559 CA SER A 96 -5.939 -4.592 11.884 1.00 2.92 C ATOM 1560 C SER A 96 -6.625 -3.244 11.725 1.00 2.63 C ATOM 1561 O SER A 96 -6.208 -2.433 10.913 1.00 2.95 O ATOM 1562 CB SER A 96 -6.053 -5.396 10.583 1.00 3.49 C ATOM 1563 OG SER A 96 -5.451 -6.673 10.726 1.00 4.05 O ATOM 0 H SER A 96 -7.274 -5.958 12.720 1.00 2.83 H new ATOM 0 HA SER A 96 -4.882 -4.434 12.099 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.103 -5.512 10.312 1.00 3.49 H new ATOM 0 HB3 SER A 96 -5.573 -4.851 9.770 1.00 3.49 H new ATOM 0 HG SER A 96 -5.536 -7.171 9.886 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.640 -2.986 12.564 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.363 -1.715 12.549 1.00 2.71 C ATOM 1571 C GLU A 97 -7.485 -0.623 13.156 1.00 2.41 C ATOM 1572 O GLU A 97 -7.456 0.507 12.664 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.677 -1.834 13.338 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.755 -0.823 12.951 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.423 0.609 13.299 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.135 0.893 14.478 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -10.464 1.470 12.392 1.00 4.86 O ATOM 0 H GLU A 97 -7.976 -3.648 13.263 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.603 -1.456 11.518 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -10.076 -2.839 13.201 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.458 -1.720 14.400 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.931 -0.891 11.878 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -11.687 -1.097 13.445 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.774 -0.966 14.237 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.906 -0.023 14.927 1.00 1.95 C ATOM 1586 C TYR A 98 -4.862 0.538 13.968 1.00 1.56 C ATOM 1587 O TYR A 98 -4.813 1.744 13.710 1.00 1.45 O ATOM 1588 CB TYR A 98 -5.237 -0.714 16.125 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.500 0.215 17.075 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.164 1.214 17.788 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -3.122 0.089 17.265 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -4.484 2.050 18.662 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -2.438 0.916 18.132 1.00 4.46 C ATOM 1594 CZ TYR A 98 -3.120 1.898 18.826 1.00 4.66 C ATOM 1595 OH TYR A 98 -2.440 2.726 19.690 1.00 5.65 O ATOM 0 H TYR A 98 -6.788 -1.899 14.650 1.00 2.15 H new ATOM 0 HA TYR A 98 -6.504 0.810 15.296 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -6.000 -1.252 16.687 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -4.534 -1.457 15.750 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -6.229 1.339 17.657 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -2.581 -0.672 16.722 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -5.016 2.813 19.210 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -1.373 0.797 18.268 1.00 4.46 H new ATOM 0 HH TYR A 98 -1.489 2.488 19.691 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.021 -0.346 13.453 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.963 0.050 12.528 1.00 1.34 C ATOM 1607 C VAL A 99 -3.528 0.672 11.250 1.00 1.17 C ATOM 1608 O VAL A 99 -2.853 1.448 10.585 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.047 -1.143 12.199 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -2.827 -2.213 11.463 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -0.833 -0.686 11.385 1.00 1.76 C ATOM 0 H VAL A 99 -4.048 -1.345 13.659 1.00 1.54 H new ATOM 0 HA VAL A 99 -2.366 0.815 13.025 1.00 1.34 H new ATOM 0 HB VAL A 99 -1.679 -1.569 13.132 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -2.169 -3.052 11.236 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -3.651 -2.557 12.088 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -3.223 -1.801 10.535 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -0.199 -1.545 11.164 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -1.170 -0.233 10.452 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -0.265 0.046 11.959 1.00 1.76 H new ATOM 1621 N ARG A 100 -4.780 0.360 10.931 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.451 0.924 9.761 1.00 1.42 C ATOM 1623 C ARG A 100 -5.453 2.447 9.850 1.00 1.31 C ATOM 1624 O ARG A 100 -5.113 3.139 8.883 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.886 0.380 9.670 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.742 0.983 8.562 1.00 2.37 C ATOM 1627 CD ARG A 100 -8.495 2.209 9.048 1.00 3.01 C ATOM 1628 NE ARG A 100 -9.762 2.410 8.350 1.00 3.48 N ATOM 1629 CZ ARG A 100 -10.893 1.753 8.627 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -11.024 1.112 9.772 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -11.973 2.002 7.907 1.00 4.93 N ATOM 0 H ARG A 100 -5.356 -0.286 11.471 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.914 0.632 8.859 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.839 -0.699 9.524 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.383 0.551 10.625 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.108 1.254 7.718 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -8.451 0.238 8.202 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -8.686 2.112 10.117 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.868 3.091 8.915 1.00 3.01 H new ATOM 0 HE ARG A 100 -9.786 3.100 7.599 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -10.261 1.117 10.449 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -11.888 0.612 9.980 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.936 2.687 7.152 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -12.843 1.509 8.106 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.813 2.964 11.030 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.829 4.398 11.268 1.00 1.43 C ATOM 1647 C LYS A 101 -4.393 4.936 11.239 1.00 1.27 C ATOM 1648 O LYS A 101 -4.152 6.093 10.890 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.490 4.688 12.611 1.00 1.68 C ATOM 1650 CG LYS A 101 -8.003 4.717 12.505 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.680 4.445 13.826 1.00 2.61 C ATOM 1652 CE LYS A 101 -10.155 4.816 13.760 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.949 3.971 12.835 1.00 3.24 N ATOM 0 H LYS A 101 -6.097 2.402 11.833 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.404 4.896 10.487 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -6.192 3.928 13.333 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.135 5.646 12.991 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.319 5.691 12.132 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.327 3.976 11.775 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.576 3.391 14.084 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.191 5.016 14.615 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -10.583 4.743 14.760 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -10.244 5.857 13.451 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.904 3.834 13.223 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -11.016 4.439 11.909 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.484 3.047 12.723 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.439 4.087 11.583 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.039 4.487 11.567 1.00 1.11 C ATOM 1669 C ALA A 102 -1.475 4.436 10.145 1.00 0.99 C ATOM 1670 O ALA A 102 -0.352 4.875 9.893 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.225 3.609 12.500 1.00 1.22 C ATOM 0 H ALA A 102 -3.604 3.124 11.875 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.973 5.516 11.919 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.181 3.922 12.476 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.609 3.704 13.516 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.300 2.570 12.179 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.277 3.946 9.212 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.871 3.870 7.815 1.00 1.01 C ATOM 1679 C TRP A 103 -2.241 5.163 7.098 1.00 0.93 C ATOM 1680 O TRP A 103 -1.456 5.708 6.326 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.527 2.688 7.087 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.712 1.415 7.080 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.487 0.571 8.131 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.009 0.859 5.961 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.699 -0.482 7.729 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.388 -0.321 6.401 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.838 1.248 4.627 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.382 -1.118 5.546 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.075 0.463 3.795 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.528 -0.700 4.253 1.00 0.98 C ATOM 0 H TRP A 103 -3.216 3.594 9.397 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.791 3.721 7.799 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.491 2.483 7.553 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.727 2.980 6.056 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.872 0.710 9.131 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.395 -1.256 8.320 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.299 2.152 4.257 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.844 -2.030 5.895 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.058 0.757 2.764 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.126 -1.288 3.572 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.450 5.658 7.370 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.934 6.893 6.753 1.00 1.12 C ATOM 1703 C LEU A 104 -3.089 8.088 7.191 1.00 1.10 C ATOM 1704 O LEU A 104 -3.071 9.128 6.532 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.417 7.110 7.085 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.783 7.222 8.571 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -5.573 8.642 9.067 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.232 6.836 8.774 1.00 1.69 C ATOM 0 H LEU A 104 -4.111 5.222 8.013 1.00 0.95 H new ATOM 0 HA LEU A 104 -3.838 6.800 5.671 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.748 8.020 6.584 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.986 6.285 6.656 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.138 6.548 9.135 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -5.838 8.702 10.123 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -4.527 8.921 8.939 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -6.203 9.324 8.496 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.486 6.918 9.831 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -7.871 7.503 8.195 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -7.385 5.809 8.442 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.365 7.919 8.288 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.491 8.972 8.781 1.00 1.18 C ATOM 1722 C ARG A 105 -0.383 9.171 7.758 1.00 1.08 C ATOM 1723 O ARG A 105 -0.021 10.299 7.438 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.911 8.632 10.165 1.00 1.38 C ATOM 1725 CG ARG A 105 0.034 9.716 10.690 1.00 2.01 C ATOM 1726 CD ARG A 105 0.564 9.439 12.092 1.00 2.29 C ATOM 1727 NE ARG A 105 1.472 10.515 12.513 1.00 2.86 N ATOM 1728 CZ ARG A 105 2.081 10.593 13.695 1.00 3.68 C ATOM 1729 NH1 ARG A 105 1.983 9.600 14.572 1.00 4.09 N ATOM 1730 NH2 ARG A 105 2.878 11.626 13.953 1.00 4.52 N ATOM 0 H ARG A 105 -2.365 7.068 8.850 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.061 9.892 8.908 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.728 8.493 10.873 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.375 7.685 10.107 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.876 9.814 10.005 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.489 10.672 10.691 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.267 9.359 12.793 1.00 2.29 H new ATOM 0 HD3 ARG A 105 1.088 8.484 12.108 1.00 2.29 H new ATOM 0 HE ARG A 105 1.651 11.264 11.845 1.00 2.86 H new ATOM 0 HH11 ARG A 105 1.438 8.769 14.343 1.00 4.09 H new ATOM 0 HH12 ARG A 105 2.453 9.669 15.475 1.00 4.09 H new ATOM 0 HH21 ARG A 105 3.019 12.350 13.248 1.00 4.52 H new ATOM 0 HH22 ARG A 105 3.349 11.694 14.855 1.00 4.52 H new ATOM 1744 N ASP A 106 0.087 8.055 7.194 1.00 0.95 N ATOM 1745 CA ASP A 106 1.111 8.092 6.145 1.00 0.99 C ATOM 1746 C ASP A 106 0.518 8.593 4.837 1.00 0.96 C ATOM 1747 O ASP A 106 1.232 8.973 3.925 1.00 1.17 O ATOM 1748 CB ASP A 106 1.744 6.721 5.910 1.00 1.09 C ATOM 1749 CG ASP A 106 3.011 6.527 6.716 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.303 7.366 7.592 1.00 1.76 O ATOM 1751 OD2 ASP A 106 3.719 5.530 6.483 1.00 2.18 O ATOM 0 H ASP A 106 -0.224 7.117 7.445 1.00 0.95 H new ATOM 0 HA ASP A 106 1.888 8.775 6.489 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.027 5.943 6.171 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.969 6.604 4.850 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.798 8.585 4.750 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.491 9.053 3.559 1.00 1.04 C ATOM 1758 C ILE A 107 -1.625 10.566 3.628 1.00 1.23 C ATOM 1759 O ILE A 107 -1.471 11.277 2.630 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.882 8.371 3.418 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.748 7.040 2.667 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.899 9.278 2.709 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.779 6.050 3.282 1.00 1.45 C ATOM 0 H ILE A 107 -1.415 8.258 5.494 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.912 8.784 2.675 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.256 8.182 4.424 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.731 6.573 2.608 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -2.431 7.248 1.645 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.856 8.762 2.632 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -4.027 10.197 3.281 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.536 9.520 1.710 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.755 5.142 2.679 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.782 6.490 3.316 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.102 5.805 4.294 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.880 11.064 4.838 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.010 12.495 5.079 1.00 1.52 C ATOM 1777 C ALA A 108 -0.663 13.198 4.953 1.00 1.59 C ATOM 1778 O ALA A 108 -0.593 14.412 4.802 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.605 12.747 6.451 1.00 1.62 C ATOM 0 H ALA A 108 -2.001 10.489 5.671 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.679 12.904 4.322 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.696 13.821 6.617 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.591 12.286 6.510 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.956 12.316 7.214 1.00 1.62 H new ATOM 1785 N GLU A 109 0.394 12.406 4.999 1.00 1.39 N ATOM 1786 CA GLU A 109 1.764 12.902 4.889 1.00 1.50 C ATOM 1787 C GLU A 109 2.670 11.743 4.485 1.00 1.43 C ATOM 1788 O GLU A 109 3.309 11.097 5.317 1.00 1.70 O ATOM 1789 CB GLU A 109 2.233 13.550 6.208 1.00 1.69 C ATOM 1790 CG GLU A 109 1.711 12.862 7.471 1.00 1.73 C ATOM 1791 CD GLU A 109 2.223 13.492 8.758 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.979 14.703 8.977 1.00 2.40 O ATOM 1793 OE2 GLU A 109 2.856 12.782 9.562 1.00 2.56 O ATOM 0 H GLU A 109 0.331 11.395 5.114 1.00 1.39 H new ATOM 0 HA GLU A 109 1.809 13.680 4.127 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.323 13.548 6.232 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.916 14.593 6.219 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.621 12.893 7.469 1.00 1.73 H new ATOM 0 HG3 GLU A 109 2.000 11.811 7.449 1.00 1.73 H new ATOM 1800 N GLU A 110 2.671 11.461 3.193 1.00 1.49 N ATOM 1801 CA GLU A 110 3.432 10.356 2.639 1.00 1.63 C ATOM 1802 C GLU A 110 4.939 10.525 2.783 1.00 1.78 C ATOM 1803 O GLU A 110 5.517 11.519 2.336 1.00 2.20 O ATOM 1804 CB GLU A 110 3.056 10.155 1.170 1.00 2.09 C ATOM 1805 CG GLU A 110 3.253 11.393 0.315 1.00 2.83 C ATOM 1806 CD GLU A 110 2.590 11.272 -1.036 1.00 3.38 C ATOM 1807 OE1 GLU A 110 1.977 10.221 -1.311 1.00 3.86 O ATOM 1808 OE2 GLU A 110 2.654 12.241 -1.820 1.00 3.86 O ATOM 0 H GLU A 110 2.144 11.992 2.500 1.00 1.49 H new ATOM 0 HA GLU A 110 3.170 9.470 3.218 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.654 9.342 0.759 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.013 9.845 1.110 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.850 12.260 0.838 1.00 2.83 H new ATOM 0 HG3 GLU A 110 4.320 11.571 0.178 1.00 2.83 H new ATOM 1815 N GLN A 111 5.553 9.508 3.386 1.00 1.93 N ATOM 1816 CA GLN A 111 6.999 9.429 3.601 1.00 2.44 C ATOM 1817 C GLN A 111 7.493 10.496 4.572 1.00 2.84 C ATOM 1818 O GLN A 111 7.635 11.662 4.210 1.00 3.22 O ATOM 1819 CB GLN A 111 7.738 9.536 2.266 1.00 2.97 C ATOM 1820 CG GLN A 111 8.993 8.680 2.206 1.00 3.66 C ATOM 1821 CD GLN A 111 9.744 8.821 0.902 1.00 4.54 C ATOM 1822 OE1 GLN A 111 9.174 8.710 -0.179 1.00 5.12 O ATOM 1823 NE2 GLN A 111 11.047 9.051 0.995 1.00 5.02 N ATOM 0 H GLN A 111 5.049 8.698 3.747 1.00 1.93 H new ATOM 0 HA GLN A 111 7.212 8.460 4.052 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.065 9.240 1.461 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.007 10.577 2.090 1.00 2.97 H new ATOM 0 HG2 GLN A 111 9.652 8.954 3.030 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.720 7.635 2.350 1.00 3.66 H new ATOM 0 HE21 GLN A 111 11.485 9.137 1.912 1.00 5.02 H new ATOM 0 HE22 GLN A 111 11.610 9.142 0.150 1.00 5.02 H new