USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 86 GLN : amide:sc= -3.16 K(o=-3.2,f=-0.6) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 175:sc= -0.0521 (180deg=0.062) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 161:sc= 0.759 (180deg=-2.67!) USER MOD Set 2.2: A 39 TYR OH : rot 165:sc= 0.989 USER MOD Single : A 8 THR OG1 : rot 31:sc= 0.0299 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 19 GLN : amide:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 20 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.8!) USER MOD Single : A 27 GLN : amide:sc= -1.97 X(o=-2,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -59:sc= 1.2 USER MOD Single : A 38 SER OG : rot 180:sc= -0.148 USER MOD Single : A 49 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.033) USER MOD Single : A 50 GLN : amide:sc= -1.04 K(o=-1,f=-0.047) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.14) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= -0.0187 (180deg=-0.151) USER MOD Single : A 59 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-1.4) USER MOD Single : A 68 ASN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.4!) USER MOD Single : A 72 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.83) USER MOD Single : A 74 THR OG1 : rot 73:sc= 0.909 USER MOD Single : A 78 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.79) USER MOD Single : A 81 GLN : amide:sc= -1.04 K(o=-1,f=-0.0045) USER MOD Single : A 84 LYS NZ :NH3+ -136:sc= 1.17 (180deg=-0.365) USER MOD Single : A 85 ASN : amide:sc= -7.5! K(o=-7.5!,f=-2.8) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -2.61 K(o=-2.6,f=-5.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 159:sc= -0.163 (180deg=-0.673) USER MOD Single : A 96 GLN : amide:sc= -1.66! K(o=-1.7!,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= -0.167 (180deg=-0.243) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.318 -17.895 -5.465 1.00 52.10 N ATOM 100 CA THR A 8 1.529 -16.520 -5.937 1.00 34.44 C ATOM 101 C THR A 8 1.603 -15.545 -4.754 1.00 54.13 C ATOM 102 O THR A 8 0.605 -15.303 -4.079 1.00 63.42 O ATOM 103 CB THR A 8 0.395 -16.072 -6.897 1.00 23.51 C ATOM 104 OG1 THR A 8 0.385 -16.902 -8.068 1.00 43.12 O ATOM 105 CG2 THR A 8 0.549 -14.611 -7.316 1.00 51.10 C ATOM 0 HA THR A 8 2.475 -16.506 -6.479 1.00 34.44 H new ATOM 0 HB THR A 8 -0.547 -16.174 -6.358 1.00 23.51 H new ATOM 0 HG1 THR A 8 0.696 -17.801 -7.834 1.00 43.12 H new ATOM 0 HG21 THR A 8 -0.265 -14.337 -7.988 1.00 51.10 H new ATOM 0 HG22 THR A 8 0.520 -13.974 -6.432 1.00 51.10 H new ATOM 0 HG23 THR A 8 1.502 -14.478 -7.828 1.00 51.10 H new ATOM 113 N SER A 9 2.794 -15.007 -4.492 1.00 52.10 N ATOM 114 CA SER A 9 2.984 -14.042 -3.393 1.00 1.31 C ATOM 115 C SER A 9 2.554 -12.628 -3.815 1.00 64.13 C ATOM 116 O SER A 9 2.181 -12.403 -4.968 1.00 0.13 O ATOM 117 CB SER A 9 4.447 -14.035 -2.926 1.00 5.10 C ATOM 118 OG SER A 9 4.635 -13.166 -1.815 1.00 25.41 O ATOM 0 H SER A 9 3.642 -15.217 -5.019 1.00 52.10 H new ATOM 0 HA SER A 9 2.352 -14.356 -2.562 1.00 1.31 H new ATOM 0 HB2 SER A 9 4.748 -15.047 -2.653 1.00 5.10 H new ATOM 0 HB3 SER A 9 5.091 -13.722 -3.748 1.00 5.10 H new ATOM 0 HG SER A 9 5.576 -13.185 -1.540 1.00 25.41 H new ATOM 124 N PHE A 10 2.611 -11.673 -2.889 1.00 14.25 N ATOM 125 CA PHE A 10 2.137 -10.307 -3.160 1.00 43.33 C ATOM 126 C PHE A 10 3.151 -9.244 -2.703 1.00 33.23 C ATOM 127 O PHE A 10 3.799 -9.385 -1.663 1.00 21.52 O ATOM 128 CB PHE A 10 0.783 -10.075 -2.470 1.00 22.42 C ATOM 129 CG PHE A 10 -0.285 -11.056 -2.895 1.00 50.32 C ATOM 130 CD1 PHE A 10 -1.014 -10.851 -4.059 1.00 34.41 C ATOM 131 CD2 PHE A 10 -0.554 -12.186 -2.133 1.00 42.31 C ATOM 132 CE1 PHE A 10 -1.982 -11.755 -4.453 1.00 64.24 C ATOM 133 CE2 PHE A 10 -1.523 -13.089 -2.523 1.00 24.13 C ATOM 134 CZ PHE A 10 -2.238 -12.873 -3.684 1.00 63.02 C ATOM 0 H PHE A 10 2.978 -11.813 -1.948 1.00 14.25 H new ATOM 0 HA PHE A 10 2.020 -10.206 -4.239 1.00 43.33 H new ATOM 0 HB2 PHE A 10 0.918 -10.142 -1.390 1.00 22.42 H new ATOM 0 HB3 PHE A 10 0.442 -9.063 -2.687 1.00 22.42 H new ATOM 0 HD1 PHE A 10 -0.822 -9.976 -4.663 1.00 34.41 H new ATOM 0 HD2 PHE A 10 0.002 -12.360 -1.224 1.00 42.31 H new ATOM 0 HE1 PHE A 10 -2.539 -11.587 -5.363 1.00 64.24 H new ATOM 0 HE2 PHE A 10 -1.721 -13.963 -1.921 1.00 24.13 H new ATOM 0 HZ PHE A 10 -2.997 -13.578 -3.991 1.00 63.02 H new ATOM 144 N ILE A 11 3.277 -8.177 -3.496 1.00 54.44 N ATOM 145 CA ILE A 11 4.189 -7.064 -3.185 1.00 15.04 C ATOM 146 C ILE A 11 3.422 -5.737 -3.080 1.00 60.24 C ATOM 147 O ILE A 11 2.514 -5.473 -3.866 1.00 14.04 O ATOM 148 CB ILE A 11 5.289 -6.909 -4.270 1.00 63.34 C ATOM 149 CG1 ILE A 11 6.053 -8.230 -4.464 1.00 12.44 C ATOM 150 CG2 ILE A 11 6.251 -5.773 -3.912 1.00 51.03 C ATOM 151 CD1 ILE A 11 7.185 -8.143 -5.471 1.00 73.14 C ATOM 0 H ILE A 11 2.757 -8.057 -4.365 1.00 54.44 H new ATOM 0 HA ILE A 11 4.655 -7.300 -2.228 1.00 15.04 H new ATOM 0 HB ILE A 11 4.802 -6.656 -5.212 1.00 63.34 H new ATOM 0 HG12 ILE A 11 6.458 -8.549 -3.503 1.00 12.44 H new ATOM 0 HG13 ILE A 11 5.352 -9.000 -4.786 1.00 12.44 H new ATOM 0 HG21 ILE A 11 7.013 -5.684 -4.687 1.00 51.03 H new ATOM 0 HG22 ILE A 11 5.697 -4.837 -3.838 1.00 51.03 H new ATOM 0 HG23 ILE A 11 6.729 -5.989 -2.956 1.00 51.03 H new ATOM 0 HD11 ILE A 11 7.675 -9.113 -5.552 1.00 73.14 H new ATOM 0 HD12 ILE A 11 6.785 -7.856 -6.444 1.00 73.14 H new ATOM 0 HD13 ILE A 11 7.909 -7.397 -5.141 1.00 73.14 H new ATOM 163 N LEU A 12 3.794 -4.902 -2.112 1.00 51.41 N ATOM 164 CA LEU A 12 3.173 -3.584 -1.946 1.00 43.11 C ATOM 165 C LEU A 12 4.054 -2.468 -2.538 1.00 41.12 C ATOM 166 O LEU A 12 5.168 -2.225 -2.070 1.00 61.32 O ATOM 167 CB LEU A 12 2.910 -3.298 -0.460 1.00 30.42 C ATOM 168 CG LEU A 12 2.213 -1.957 -0.164 1.00 45.43 C ATOM 169 CD1 LEU A 12 0.799 -1.933 -0.747 1.00 22.32 C ATOM 170 CD2 LEU A 12 2.185 -1.680 1.335 1.00 15.53 C ATOM 0 H LEU A 12 4.522 -5.112 -1.429 1.00 51.41 H new ATOM 0 HA LEU A 12 2.226 -3.598 -2.486 1.00 43.11 H new ATOM 0 HB2 LEU A 12 2.299 -4.104 -0.054 1.00 30.42 H new ATOM 0 HB3 LEU A 12 3.861 -3.320 0.072 1.00 30.42 H new ATOM 0 HG LEU A 12 2.789 -1.166 -0.645 1.00 45.43 H new ATOM 0 HD11 LEU A 12 0.330 -0.975 -0.524 1.00 22.32 H new ATOM 0 HD12 LEU A 12 0.848 -2.070 -1.827 1.00 22.32 H new ATOM 0 HD13 LEU A 12 0.210 -2.737 -0.306 1.00 22.32 H new ATOM 0 HD21 LEU A 12 1.688 -0.728 1.520 1.00 15.53 H new ATOM 0 HD22 LEU A 12 1.642 -2.477 1.842 1.00 15.53 H new ATOM 0 HD23 LEU A 12 3.205 -1.637 1.716 1.00 15.53 H new ATOM 182 N LYS A 13 3.555 -1.803 -3.578 1.00 22.33 N ATOM 183 CA LYS A 13 4.231 -0.631 -4.147 1.00 34.22 C ATOM 184 C LYS A 13 3.484 0.661 -3.789 1.00 54.50 C ATOM 185 O LYS A 13 2.262 0.745 -3.924 1.00 33.10 O ATOM 186 CB LYS A 13 4.367 -0.759 -5.674 1.00 12.33 C ATOM 187 CG LYS A 13 5.264 -1.913 -6.120 1.00 31.53 C ATOM 188 CD LYS A 13 5.753 -1.739 -7.562 1.00 4.40 C ATOM 189 CE LYS A 13 4.740 -2.220 -8.602 1.00 20.33 C ATOM 190 NZ LYS A 13 3.388 -1.633 -8.415 1.00 12.42 N ATOM 0 H LYS A 13 2.684 -2.053 -4.047 1.00 22.33 H new ATOM 0 HA LYS A 13 5.230 -0.585 -3.715 1.00 34.22 H new ATOM 0 HB2 LYS A 13 3.376 -0.893 -6.107 1.00 12.33 H new ATOM 0 HB3 LYS A 13 4.766 0.174 -6.073 1.00 12.33 H new ATOM 0 HG2 LYS A 13 6.123 -1.983 -5.452 1.00 31.53 H new ATOM 0 HG3 LYS A 13 4.716 -2.851 -6.034 1.00 31.53 H new ATOM 0 HD2 LYS A 13 5.975 -0.687 -7.739 1.00 4.40 H new ATOM 0 HD3 LYS A 13 6.686 -2.288 -7.692 1.00 4.40 H new ATOM 0 HE2 LYS A 13 5.104 -1.968 -9.598 1.00 20.33 H new ATOM 0 HE3 LYS A 13 4.667 -3.307 -8.554 1.00 20.33 H new ATOM 0 HZ1 LYS A 13 2.844 -1.726 -9.297 1.00 12.42 H new ATOM 0 HZ2 LYS A 13 2.894 -2.135 -7.650 1.00 12.42 H new ATOM 0 HZ3 LYS A 13 3.478 -0.627 -8.168 1.00 12.42 H new ATOM 204 N VAL A 14 4.228 1.667 -3.331 1.00 24.20 N ATOM 205 CA VAL A 14 3.636 2.938 -2.897 1.00 1.43 C ATOM 206 C VAL A 14 4.204 4.138 -3.679 1.00 60.24 C ATOM 207 O VAL A 14 5.411 4.381 -3.676 1.00 54.33 O ATOM 208 CB VAL A 14 3.865 3.170 -1.379 1.00 33.12 C ATOM 209 CG1 VAL A 14 3.254 4.496 -0.936 1.00 1.22 C ATOM 210 CG2 VAL A 14 3.295 2.012 -0.559 1.00 0.22 C ATOM 0 H VAL A 14 5.244 1.629 -3.250 1.00 24.20 H new ATOM 0 HA VAL A 14 2.567 2.866 -3.100 1.00 1.43 H new ATOM 0 HB VAL A 14 4.940 3.214 -1.203 1.00 33.12 H new ATOM 0 HG11 VAL A 14 3.426 4.638 0.131 1.00 1.22 H new ATOM 0 HG12 VAL A 14 3.717 5.313 -1.490 1.00 1.22 H new ATOM 0 HG13 VAL A 14 2.182 4.486 -1.132 1.00 1.22 H new ATOM 0 HG21 VAL A 14 3.468 2.197 0.501 1.00 0.22 H new ATOM 0 HG22 VAL A 14 2.224 1.928 -0.743 1.00 0.22 H new ATOM 0 HG23 VAL A 14 3.787 1.084 -0.850 1.00 0.22 H new ATOM 220 N LEU A 15 3.325 4.880 -4.350 1.00 2.22 N ATOM 221 CA LEU A 15 3.715 6.107 -5.055 1.00 33.32 C ATOM 222 C LEU A 15 3.778 7.280 -4.055 1.00 73.10 C ATOM 223 O LEU A 15 2.764 7.657 -3.460 1.00 13.12 O ATOM 224 CB LEU A 15 2.709 6.395 -6.189 1.00 71.02 C ATOM 225 CG LEU A 15 3.241 7.197 -7.396 1.00 72.01 C ATOM 226 CD1 LEU A 15 2.175 7.297 -8.484 1.00 55.22 C ATOM 227 CD2 LEU A 15 3.711 8.589 -6.979 1.00 73.31 C ATOM 0 H LEU A 15 2.333 4.654 -4.422 1.00 2.22 H new ATOM 0 HA LEU A 15 4.703 5.982 -5.498 1.00 33.32 H new ATOM 0 HB2 LEU A 15 2.326 5.442 -6.555 1.00 71.02 H new ATOM 0 HB3 LEU A 15 1.864 6.937 -5.765 1.00 71.02 H new ATOM 0 HG LEU A 15 4.102 6.661 -7.797 1.00 72.01 H new ATOM 0 HD11 LEU A 15 2.568 7.866 -9.327 1.00 55.22 H new ATOM 0 HD12 LEU A 15 1.901 6.296 -8.818 1.00 55.22 H new ATOM 0 HD13 LEU A 15 1.294 7.801 -8.085 1.00 55.22 H new ATOM 0 HD21 LEU A 15 4.079 9.126 -7.853 1.00 73.31 H new ATOM 0 HD22 LEU A 15 2.878 9.138 -6.540 1.00 73.31 H new ATOM 0 HD23 LEU A 15 4.512 8.498 -6.245 1.00 73.31 H new ATOM 239 N TRP A 16 4.968 7.852 -3.885 1.00 14.42 N ATOM 240 CA TRP A 16 5.216 8.858 -2.841 1.00 64.22 C ATOM 241 C TRP A 16 5.133 10.297 -3.386 1.00 72.22 C ATOM 242 O TRP A 16 5.983 10.720 -4.171 1.00 14.43 O ATOM 243 CB TRP A 16 6.605 8.606 -2.234 1.00 64.30 C ATOM 244 CG TRP A 16 6.911 9.431 -1.016 1.00 63.42 C ATOM 245 CD1 TRP A 16 7.671 10.565 -0.952 1.00 63.34 C ATOM 246 CD2 TRP A 16 6.463 9.174 0.321 1.00 30.04 C ATOM 247 NE1 TRP A 16 7.731 11.018 0.344 1.00 25.11 N ATOM 248 CE2 TRP A 16 6.996 10.182 1.142 1.00 31.55 C ATOM 249 CE3 TRP A 16 5.666 8.182 0.901 1.00 70.30 C ATOM 250 CZ2 TRP A 16 6.754 10.230 2.510 1.00 21.14 C ATOM 251 CZ3 TRP A 16 5.427 8.232 2.260 1.00 32.42 C ATOM 252 CH2 TRP A 16 5.971 9.248 3.053 1.00 42.40 C ATOM 0 H TRP A 16 5.784 7.638 -4.458 1.00 14.42 H new ATOM 0 HA TRP A 16 4.441 8.760 -2.081 1.00 64.22 H new ATOM 0 HB2 TRP A 16 6.688 7.551 -1.973 1.00 64.30 H new ATOM 0 HB3 TRP A 16 7.361 8.807 -2.993 1.00 64.30 H new ATOM 0 HD1 TRP A 16 8.153 11.036 -1.796 1.00 63.34 H new ATOM 0 HE1 TRP A 16 8.240 11.843 0.660 1.00 25.11 H new ATOM 0 HE3 TRP A 16 5.245 7.392 0.297 1.00 70.30 H new ATOM 0 HZ2 TRP A 16 7.170 11.016 3.123 1.00 21.14 H new ATOM 0 HZ3 TRP A 16 4.810 7.474 2.719 1.00 32.42 H new ATOM 0 HH2 TRP A 16 5.769 9.257 4.114 1.00 42.40 H new ATOM 263 N LEU A 17 4.105 11.047 -2.970 1.00 10.02 N ATOM 264 CA LEU A 17 3.968 12.462 -3.351 1.00 64.42 C ATOM 265 C LEU A 17 3.787 13.363 -2.114 1.00 41.03 C ATOM 266 O LEU A 17 3.535 12.884 -1.006 1.00 75.30 O ATOM 267 CB LEU A 17 2.776 12.653 -4.309 1.00 51.11 C ATOM 268 CG LEU A 17 2.857 11.872 -5.631 1.00 0.23 C ATOM 269 CD1 LEU A 17 1.539 11.971 -6.399 1.00 4.52 C ATOM 270 CD2 LEU A 17 4.024 12.379 -6.479 1.00 60.20 C ATOM 0 H LEU A 17 3.356 10.700 -2.371 1.00 10.02 H new ATOM 0 HA LEU A 17 4.888 12.753 -3.858 1.00 64.42 H new ATOM 0 HB2 LEU A 17 1.864 12.359 -3.789 1.00 51.11 H new ATOM 0 HB3 LEU A 17 2.684 13.714 -4.539 1.00 51.11 H new ATOM 0 HG LEU A 17 3.033 10.821 -5.402 1.00 0.23 H new ATOM 0 HD11 LEU A 17 1.618 11.411 -7.331 1.00 4.52 H new ATOM 0 HD12 LEU A 17 0.733 11.556 -5.794 1.00 4.52 H new ATOM 0 HD13 LEU A 17 1.325 13.016 -6.621 1.00 4.52 H new ATOM 0 HD21 LEU A 17 4.068 11.816 -7.411 1.00 60.20 H new ATOM 0 HD22 LEU A 17 3.881 13.437 -6.700 1.00 60.20 H new ATOM 0 HD23 LEU A 17 4.957 12.246 -5.931 1.00 60.20 H new ATOM 282 N ASP A 18 3.917 14.670 -2.316 1.00 74.31 N ATOM 283 CA ASP A 18 3.711 15.652 -1.245 1.00 74.50 C ATOM 284 C ASP A 18 2.225 15.740 -0.836 1.00 53.14 C ATOM 285 O ASP A 18 1.865 15.494 0.319 1.00 42.13 O ATOM 286 CB ASP A 18 4.229 17.019 -1.716 1.00 71.11 C ATOM 287 CG ASP A 18 3.923 18.145 -0.744 1.00 62.20 C ATOM 288 OD1 ASP A 18 4.657 18.294 0.256 1.00 4.30 O ATOM 289 OD2 ASP A 18 2.951 18.893 -0.991 1.00 51.21 O ATOM 0 H ASP A 18 4.166 15.081 -3.216 1.00 74.31 H new ATOM 0 HA ASP A 18 4.266 15.334 -0.362 1.00 74.50 H new ATOM 0 HB2 ASP A 18 5.307 16.960 -1.865 1.00 71.11 H new ATOM 0 HB3 ASP A 18 3.786 17.254 -2.684 1.00 71.11 H new ATOM 294 N GLN A 19 1.367 16.096 -1.792 1.00 20.22 N ATOM 295 CA GLN A 19 -0.073 16.225 -1.533 1.00 54.54 C ATOM 296 C GLN A 19 -0.764 14.862 -1.352 1.00 45.20 C ATOM 297 O GLN A 19 -1.707 14.743 -0.566 1.00 75.11 O ATOM 298 CB GLN A 19 -0.756 17.002 -2.670 1.00 54.51 C ATOM 299 CG GLN A 19 -0.548 16.388 -4.053 1.00 40.14 C ATOM 300 CD GLN A 19 -1.229 17.178 -5.157 1.00 71.53 C ATOM 301 OE1 GLN A 19 -2.369 16.911 -5.524 1.00 23.11 O ATOM 302 NE2 GLN A 19 -0.543 18.172 -5.682 1.00 3.11 N ATOM 0 H GLN A 19 1.641 16.301 -2.753 1.00 20.22 H new ATOM 0 HA GLN A 19 -0.175 16.774 -0.597 1.00 54.54 H new ATOM 0 HB2 GLN A 19 -1.825 17.059 -2.466 1.00 54.51 H new ATOM 0 HB3 GLN A 19 -0.377 18.024 -2.677 1.00 54.51 H new ATOM 0 HG2 GLN A 19 0.520 16.328 -4.262 1.00 40.14 H new ATOM 0 HG3 GLN A 19 -0.931 15.367 -4.054 1.00 40.14 H new ATOM 0 HE21 GLN A 19 0.403 18.368 -5.354 1.00 3.11 H new ATOM 0 HE22 GLN A 19 -0.958 18.746 -6.416 1.00 3.11 H new ATOM 311 N ASN A 20 -0.290 13.833 -2.060 1.00 0.21 N ATOM 312 CA ASN A 20 -0.961 12.520 -2.058 1.00 2.10 C ATOM 313 C ASN A 20 0.021 11.350 -1.884 1.00 63.11 C ATOM 314 O ASN A 20 1.234 11.494 -2.025 1.00 5.34 O ATOM 315 CB ASN A 20 -1.745 12.324 -3.366 1.00 32.13 C ATOM 316 CG ASN A 20 -2.889 13.312 -3.532 1.00 1.41 C ATOM 317 OD1 ASN A 20 -3.226 13.704 -4.643 1.00 22.13 O ATOM 318 ND2 ASN A 20 -3.502 13.718 -2.438 1.00 74.43 N ATOM 0 H ASN A 20 0.549 13.878 -2.639 1.00 0.21 H new ATOM 0 HA ASN A 20 -1.637 12.518 -1.203 1.00 2.10 H new ATOM 0 HB2 ASN A 20 -1.062 12.423 -4.210 1.00 32.13 H new ATOM 0 HB3 ASN A 20 -2.142 11.309 -3.395 1.00 32.13 H new ATOM 0 HD21 ASN A 20 -4.279 14.376 -2.503 1.00 74.43 H new ATOM 0 HD22 ASN A 20 -3.199 13.374 -1.526 1.00 74.43 H new ATOM 325 N VAL A 21 -0.535 10.187 -1.575 1.00 11.33 N ATOM 326 CA VAL A 21 0.221 8.936 -1.531 1.00 11.33 C ATOM 327 C VAL A 21 -0.655 7.788 -2.050 1.00 52.14 C ATOM 328 O VAL A 21 -1.817 7.653 -1.660 1.00 11.22 O ATOM 329 CB VAL A 21 0.734 8.623 -0.099 1.00 72.54 C ATOM 330 CG1 VAL A 21 -0.418 8.525 0.888 1.00 74.30 C ATOM 331 CG2 VAL A 21 1.569 7.347 -0.070 1.00 53.32 C ATOM 0 H VAL A 21 -1.523 10.080 -1.347 1.00 11.33 H new ATOM 0 HA VAL A 21 1.097 9.045 -2.171 1.00 11.33 H new ATOM 0 HB VAL A 21 1.375 9.452 0.202 1.00 72.54 H new ATOM 0 HG11 VAL A 21 -0.028 8.305 1.882 1.00 74.30 H new ATOM 0 HG12 VAL A 21 -0.958 9.471 0.912 1.00 74.30 H new ATOM 0 HG13 VAL A 21 -1.095 7.728 0.579 1.00 74.30 H new ATOM 0 HG21 VAL A 21 1.911 7.159 0.948 1.00 53.32 H new ATOM 0 HG22 VAL A 21 0.962 6.507 -0.410 1.00 53.32 H new ATOM 0 HG23 VAL A 21 2.431 7.461 -0.727 1.00 53.32 H new ATOM 341 N ALA A 22 -0.113 6.984 -2.955 1.00 34.04 N ATOM 342 CA ALA A 22 -0.890 5.920 -3.600 1.00 22.22 C ATOM 343 C ALA A 22 -0.317 4.529 -3.305 1.00 22.42 C ATOM 344 O ALA A 22 0.890 4.321 -3.372 1.00 71.32 O ATOM 345 CB ALA A 22 -0.949 6.166 -5.103 1.00 61.31 C ATOM 0 H ALA A 22 0.858 7.043 -3.262 1.00 34.04 H new ATOM 0 HA ALA A 22 -1.898 5.944 -3.187 1.00 22.22 H new ATOM 0 HB1 ALA A 22 -1.527 5.374 -5.579 1.00 61.31 H new ATOM 0 HB2 ALA A 22 -1.424 7.128 -5.296 1.00 61.31 H new ATOM 0 HB3 ALA A 22 0.062 6.173 -5.511 1.00 61.31 H new ATOM 351 N ILE A 23 -1.192 3.575 -2.994 1.00 31.20 N ATOM 352 CA ILE A 23 -0.769 2.197 -2.707 1.00 43.31 C ATOM 353 C ILE A 23 -1.285 1.215 -3.771 1.00 2.41 C ATOM 354 O ILE A 23 -2.386 1.382 -4.302 1.00 4.12 O ATOM 355 CB ILE A 23 -1.249 1.738 -1.303 1.00 62.11 C ATOM 356 CG1 ILE A 23 -2.782 1.837 -1.194 1.00 24.22 C ATOM 357 CG2 ILE A 23 -0.570 2.568 -0.210 1.00 1.42 C ATOM 358 CD1 ILE A 23 -3.327 1.419 0.157 1.00 14.41 C ATOM 0 H ILE A 23 -2.199 3.726 -2.933 1.00 31.20 H new ATOM 0 HA ILE A 23 0.321 2.193 -2.726 1.00 43.31 H new ATOM 0 HB ILE A 23 -0.968 0.694 -1.165 1.00 62.11 H new ATOM 0 HG12 ILE A 23 -3.086 2.864 -1.396 1.00 24.22 H new ATOM 0 HG13 ILE A 23 -3.233 1.214 -1.966 1.00 24.22 H new ATOM 0 HG21 ILE A 23 -0.917 2.235 0.768 1.00 1.42 H new ATOM 0 HG22 ILE A 23 0.511 2.441 -0.275 1.00 1.42 H new ATOM 0 HG23 ILE A 23 -0.820 3.620 -0.344 1.00 1.42 H new ATOM 0 HD11 ILE A 23 -4.413 1.516 0.157 1.00 14.41 H new ATOM 0 HD12 ILE A 23 -3.055 0.382 0.354 1.00 14.41 H new ATOM 0 HD13 ILE A 23 -2.906 2.058 0.933 1.00 14.41 H new ATOM 370 N ALA A 24 -0.474 0.203 -4.087 1.00 11.51 N ATOM 371 CA ALA A 24 -0.838 -0.808 -5.088 1.00 35.14 C ATOM 372 C ALA A 24 -0.189 -2.166 -4.782 1.00 34.10 C ATOM 373 O ALA A 24 1.022 -2.257 -4.598 1.00 52.01 O ATOM 374 CB ALA A 24 -0.424 -0.342 -6.481 1.00 64.31 C ATOM 0 H ALA A 24 0.443 0.060 -3.664 1.00 11.51 H new ATOM 0 HA ALA A 24 -1.920 -0.934 -5.051 1.00 35.14 H new ATOM 0 HB1 ALA A 24 -0.699 -1.100 -7.215 1.00 64.31 H new ATOM 0 HB2 ALA A 24 -0.931 0.593 -6.718 1.00 64.31 H new ATOM 0 HB3 ALA A 24 0.655 -0.186 -6.507 1.00 64.31 H new ATOM 380 N VAL A 25 -1.001 -3.219 -4.727 1.00 32.24 N ATOM 381 CA VAL A 25 -0.489 -4.580 -4.527 1.00 60.24 C ATOM 382 C VAL A 25 -0.356 -5.328 -5.867 1.00 50.41 C ATOM 383 O VAL A 25 -1.311 -5.401 -6.649 1.00 34.25 O ATOM 384 CB VAL A 25 -1.402 -5.393 -3.571 1.00 72.10 C ATOM 385 CG1 VAL A 25 -0.905 -6.832 -3.429 1.00 55.53 C ATOM 386 CG2 VAL A 25 -1.486 -4.717 -2.204 1.00 32.22 C ATOM 0 H VAL A 25 -2.015 -3.160 -4.818 1.00 32.24 H new ATOM 0 HA VAL A 25 0.498 -4.485 -4.074 1.00 60.24 H new ATOM 0 HB VAL A 25 -2.402 -5.423 -4.004 1.00 72.10 H new ATOM 0 HG11 VAL A 25 -1.563 -7.379 -2.754 1.00 55.53 H new ATOM 0 HG12 VAL A 25 -0.905 -7.315 -4.406 1.00 55.53 H new ATOM 0 HG13 VAL A 25 0.108 -6.829 -3.026 1.00 55.53 H new ATOM 0 HG21 VAL A 25 -2.131 -5.302 -1.548 1.00 32.22 H new ATOM 0 HG22 VAL A 25 -0.489 -4.651 -1.769 1.00 32.22 H new ATOM 0 HG23 VAL A 25 -1.899 -3.715 -2.319 1.00 32.22 H new ATOM 396 N ASP A 26 0.834 -5.863 -6.133 1.00 70.25 N ATOM 397 CA ASP A 26 1.092 -6.651 -7.344 1.00 71.30 C ATOM 398 C ASP A 26 1.256 -8.144 -7.004 1.00 2.31 C ATOM 399 O ASP A 26 1.673 -8.499 -5.898 1.00 73.22 O ATOM 400 CB ASP A 26 2.349 -6.129 -8.051 1.00 4.32 C ATOM 401 CG ASP A 26 2.205 -4.682 -8.494 1.00 44.50 C ATOM 402 OD1 ASP A 26 2.191 -3.789 -7.623 1.00 33.23 O ATOM 403 OD2 ASP A 26 2.107 -4.430 -9.717 1.00 45.20 O ATOM 0 H ASP A 26 1.644 -5.765 -5.521 1.00 70.25 H new ATOM 0 HA ASP A 26 0.236 -6.546 -8.011 1.00 71.30 H new ATOM 0 HB2 ASP A 26 3.203 -6.218 -7.380 1.00 4.32 H new ATOM 0 HB3 ASP A 26 2.560 -6.753 -8.920 1.00 4.32 H new ATOM 408 N GLN A 27 0.929 -9.011 -7.963 1.00 54.51 N ATOM 409 CA GLN A 27 0.986 -10.465 -7.756 1.00 40.52 C ATOM 410 C GLN A 27 2.251 -11.080 -8.388 1.00 24.24 C ATOM 411 O GLN A 27 2.575 -10.812 -9.549 1.00 22.22 O ATOM 412 CB GLN A 27 -0.274 -11.125 -8.350 1.00 20.34 C ATOM 413 CG GLN A 27 -0.399 -10.965 -9.862 1.00 34.23 C ATOM 414 CD GLN A 27 -1.697 -11.521 -10.422 1.00 2.02 C ATOM 415 OE1 GLN A 27 -2.688 -10.812 -10.545 1.00 64.25 O ATOM 416 NE2 GLN A 27 -1.705 -12.793 -10.768 1.00 71.13 N ATOM 0 H GLN A 27 0.621 -8.734 -8.895 1.00 54.51 H new ATOM 0 HA GLN A 27 1.027 -10.651 -6.683 1.00 40.52 H new ATOM 0 HB2 GLN A 27 -0.266 -12.187 -8.106 1.00 20.34 H new ATOM 0 HB3 GLN A 27 -1.156 -10.696 -7.875 1.00 20.34 H new ATOM 0 HG2 GLN A 27 -0.326 -9.907 -10.115 1.00 34.23 H new ATOM 0 HG3 GLN A 27 0.440 -11.467 -10.344 1.00 34.23 H new ATOM 0 HE21 GLN A 27 -0.863 -13.358 -10.654 1.00 71.13 H new ATOM 0 HE22 GLN A 27 -2.553 -13.212 -11.150 1.00 71.13 H new ATOM 425 N ILE A 28 2.969 -11.900 -7.620 1.00 24.21 N ATOM 426 CA ILE A 28 4.148 -12.608 -8.137 1.00 3.12 C ATOM 427 C ILE A 28 3.754 -13.951 -8.780 1.00 40.24 C ATOM 428 O ILE A 28 3.625 -14.971 -8.096 1.00 11.30 O ATOM 429 CB ILE A 28 5.196 -12.870 -7.023 1.00 31.24 C ATOM 430 CG1 ILE A 28 5.556 -11.565 -6.291 1.00 13.53 C ATOM 431 CG2 ILE A 28 6.453 -13.518 -7.615 1.00 34.44 C ATOM 432 CD1 ILE A 28 6.555 -11.755 -5.167 1.00 41.31 C ATOM 0 H ILE A 28 2.759 -12.092 -6.641 1.00 24.21 H new ATOM 0 HA ILE A 28 4.592 -11.960 -8.893 1.00 3.12 H new ATOM 0 HB ILE A 28 4.759 -13.556 -6.297 1.00 31.24 H new ATOM 0 HG12 ILE A 28 5.963 -10.855 -7.011 1.00 13.53 H new ATOM 0 HG13 ILE A 28 4.646 -11.123 -5.886 1.00 13.53 H new ATOM 0 HG21 ILE A 28 7.179 -13.696 -6.822 1.00 34.44 H new ATOM 0 HG22 ILE A 28 6.188 -14.466 -8.083 1.00 34.44 H new ATOM 0 HG23 ILE A 28 6.887 -12.854 -8.362 1.00 34.44 H new ATOM 0 HD11 ILE A 28 6.761 -10.793 -4.697 1.00 41.31 H new ATOM 0 HD12 ILE A 28 6.143 -12.440 -4.426 1.00 41.31 H new ATOM 0 HD13 ILE A 28 7.480 -12.168 -5.569 1.00 41.31 H new ATOM 444 N VAL A 29 3.551 -13.939 -10.092 1.00 61.54 N ATOM 445 CA VAL A 29 3.170 -15.146 -10.834 1.00 41.02 C ATOM 446 C VAL A 29 4.404 -16.025 -11.121 1.00 21.10 C ATOM 447 O VAL A 29 5.542 -15.562 -11.023 1.00 0.12 O ATOM 448 CB VAL A 29 2.471 -14.773 -12.171 1.00 11.24 C ATOM 449 CG1 VAL A 29 1.830 -15.998 -12.824 1.00 1.31 C ATOM 450 CG2 VAL A 29 1.438 -13.669 -11.950 1.00 41.13 C ATOM 0 H VAL A 29 3.643 -13.104 -10.671 1.00 61.54 H new ATOM 0 HA VAL A 29 2.472 -15.710 -10.215 1.00 41.02 H new ATOM 0 HB VAL A 29 3.233 -14.397 -12.853 1.00 11.24 H new ATOM 0 HG11 VAL A 29 1.350 -15.703 -13.757 1.00 1.31 H new ATOM 0 HG12 VAL A 29 2.598 -16.744 -13.031 1.00 1.31 H new ATOM 0 HG13 VAL A 29 1.085 -16.422 -12.150 1.00 1.31 H new ATOM 0 HG21 VAL A 29 0.960 -13.423 -12.898 1.00 41.13 H new ATOM 0 HG22 VAL A 29 0.684 -14.013 -11.242 1.00 41.13 H new ATOM 0 HG23 VAL A 29 1.932 -12.783 -11.552 1.00 41.13 H new ATOM 460 N GLY A 30 4.172 -17.291 -11.475 1.00 1.33 N ATOM 461 CA GLY A 30 5.265 -18.216 -11.769 1.00 72.12 C ATOM 462 C GLY A 30 6.262 -17.696 -12.809 1.00 12.32 C ATOM 463 O GLY A 30 7.457 -17.976 -12.724 1.00 4.33 O ATOM 0 H GLY A 30 3.240 -17.696 -11.564 1.00 1.33 H new ATOM 0 HA2 GLY A 30 5.801 -18.434 -10.845 1.00 72.12 H new ATOM 0 HA3 GLY A 30 4.845 -19.157 -12.123 1.00 72.12 H new ATOM 467 N LYS A 31 5.774 -16.937 -13.790 1.00 5.41 N ATOM 468 CA LYS A 31 6.631 -16.429 -14.875 1.00 12.25 C ATOM 469 C LYS A 31 7.023 -14.949 -14.686 1.00 73.11 C ATOM 470 O LYS A 31 7.816 -14.412 -15.463 1.00 2.15 O ATOM 471 CB LYS A 31 5.930 -16.613 -16.228 1.00 32.44 C ATOM 472 CG LYS A 31 5.641 -18.070 -16.572 1.00 22.25 C ATOM 473 CD LYS A 31 4.948 -18.209 -17.924 1.00 53.13 C ATOM 474 CE LYS A 31 3.582 -17.531 -17.936 1.00 22.04 C ATOM 475 NZ LYS A 31 2.939 -17.596 -19.275 1.00 31.41 N ATOM 0 H LYS A 31 4.795 -16.658 -13.861 1.00 5.41 H new ATOM 0 HA LYS A 31 7.553 -17.010 -14.849 1.00 12.25 H new ATOM 0 HB2 LYS A 31 4.992 -16.057 -16.221 1.00 32.44 H new ATOM 0 HB3 LYS A 31 6.551 -16.180 -17.012 1.00 32.44 H new ATOM 0 HG2 LYS A 31 6.575 -18.632 -16.583 1.00 22.25 H new ATOM 0 HG3 LYS A 31 5.014 -18.509 -15.796 1.00 22.25 H new ATOM 0 HD2 LYS A 31 5.576 -17.773 -18.700 1.00 53.13 H new ATOM 0 HD3 LYS A 31 4.831 -19.266 -18.165 1.00 53.13 H new ATOM 0 HE2 LYS A 31 2.935 -18.007 -17.200 1.00 22.04 H new ATOM 0 HE3 LYS A 31 3.692 -16.489 -17.637 1.00 22.04 H new ATOM 0 HZ1 LYS A 31 2.013 -17.124 -19.239 1.00 31.41 H new ATOM 0 HZ2 LYS A 31 3.544 -17.119 -19.974 1.00 31.41 H new ATOM 0 HZ3 LYS A 31 2.810 -18.591 -19.550 1.00 31.41 H new ATOM 489 N GLY A 32 6.482 -14.291 -13.661 1.00 1.04 N ATOM 490 CA GLY A 32 6.808 -12.895 -13.422 1.00 4.51 C ATOM 491 C GLY A 32 5.755 -12.154 -12.606 1.00 43.34 C ATOM 492 O GLY A 32 4.748 -12.725 -12.196 1.00 32.00 O ATOM 0 H GLY A 32 5.826 -14.699 -12.995 1.00 1.04 H new ATOM 0 HA2 GLY A 32 7.765 -12.838 -12.903 1.00 4.51 H new ATOM 0 HA3 GLY A 32 6.934 -12.391 -14.380 1.00 4.51 H new ATOM 496 N THR A 33 5.994 -10.872 -12.377 1.00 22.14 N ATOM 497 CA THR A 33 5.078 -10.023 -11.600 1.00 51.22 C ATOM 498 C THR A 33 3.990 -9.402 -12.485 1.00 42.23 C ATOM 499 O THR A 33 4.252 -8.990 -13.616 1.00 21.12 O ATOM 500 CB THR A 33 5.835 -8.879 -10.879 1.00 32.43 C ATOM 501 OG1 THR A 33 6.541 -8.071 -11.837 1.00 11.40 O ATOM 502 CG2 THR A 33 6.818 -9.432 -9.852 1.00 23.34 C ATOM 0 H THR A 33 6.822 -10.384 -12.719 1.00 22.14 H new ATOM 0 HA THR A 33 4.614 -10.676 -10.861 1.00 51.22 H new ATOM 0 HB THR A 33 5.099 -8.266 -10.358 1.00 32.43 H new ATOM 0 HG1 THR A 33 7.014 -7.350 -11.371 1.00 11.40 H new ATOM 0 HG21 THR A 33 7.335 -8.607 -9.362 1.00 23.34 H new ATOM 0 HG22 THR A 33 6.276 -10.015 -9.107 1.00 23.34 H new ATOM 0 HG23 THR A 33 7.546 -10.070 -10.352 1.00 23.34 H new ATOM 510 N SER A 34 2.768 -9.329 -11.965 1.00 72.23 N ATOM 511 CA SER A 34 1.639 -8.743 -12.706 1.00 3.22 C ATOM 512 C SER A 34 0.878 -7.717 -11.854 1.00 52.33 C ATOM 513 O SER A 34 0.632 -7.949 -10.665 1.00 33.23 O ATOM 514 CB SER A 34 0.671 -9.843 -13.169 1.00 44.53 C ATOM 515 OG SER A 34 -0.493 -9.290 -13.771 1.00 5.44 O ATOM 0 H SER A 34 2.527 -9.667 -11.033 1.00 72.23 H new ATOM 0 HA SER A 34 2.051 -8.231 -13.576 1.00 3.22 H new ATOM 0 HB2 SER A 34 1.175 -10.497 -13.881 1.00 44.53 H new ATOM 0 HB3 SER A 34 0.384 -10.460 -12.317 1.00 44.53 H new ATOM 0 HG SER A 34 -1.089 -10.014 -14.057 1.00 5.44 H new ATOM 521 N PRO A 35 0.498 -6.563 -12.443 1.00 71.10 N ATOM 522 CA PRO A 35 -0.277 -5.528 -11.736 1.00 3.24 C ATOM 523 C PRO A 35 -1.660 -6.034 -11.288 1.00 1.54 C ATOM 524 O PRO A 35 -2.618 -6.035 -12.064 1.00 13.13 O ATOM 525 CB PRO A 35 -0.412 -4.395 -12.771 1.00 71.21 C ATOM 526 CG PRO A 35 0.651 -4.666 -13.786 1.00 25.20 C ATOM 527 CD PRO A 35 0.804 -6.162 -13.828 1.00 34.11 C ATOM 0 HA PRO A 35 0.215 -5.212 -10.816 1.00 3.24 H new ATOM 0 HB2 PRO A 35 -1.402 -4.394 -13.227 1.00 71.21 H new ATOM 0 HB3 PRO A 35 -0.274 -3.418 -12.307 1.00 71.21 H new ATOM 0 HG2 PRO A 35 0.368 -4.274 -14.763 1.00 25.20 H new ATOM 0 HG3 PRO A 35 1.589 -4.184 -13.509 1.00 25.20 H new ATOM 0 HD2 PRO A 35 0.118 -6.618 -14.542 1.00 34.11 H new ATOM 0 HD3 PRO A 35 1.812 -6.457 -14.121 1.00 34.11 H new ATOM 535 N LEU A 36 -1.747 -6.479 -10.037 1.00 1.20 N ATOM 536 CA LEU A 36 -2.998 -7.000 -9.484 1.00 32.24 C ATOM 537 C LEU A 36 -4.004 -5.867 -9.231 1.00 33.42 C ATOM 538 O LEU A 36 -5.190 -5.986 -9.542 1.00 52.22 O ATOM 539 CB LEU A 36 -2.709 -7.754 -8.178 1.00 44.24 C ATOM 540 CG LEU A 36 -3.920 -8.441 -7.522 1.00 23.14 C ATOM 541 CD1 LEU A 36 -4.465 -9.549 -8.417 1.00 23.44 C ATOM 542 CD2 LEU A 36 -3.546 -8.985 -6.145 1.00 54.21 C ATOM 0 H LEU A 36 -0.964 -6.490 -9.384 1.00 1.20 H new ATOM 0 HA LEU A 36 -3.439 -7.685 -10.208 1.00 32.24 H new ATOM 0 HB2 LEU A 36 -1.949 -8.510 -8.377 1.00 44.24 H new ATOM 0 HB3 LEU A 36 -2.281 -7.052 -7.462 1.00 44.24 H new ATOM 0 HG LEU A 36 -4.707 -7.698 -7.392 1.00 23.14 H new ATOM 0 HD11 LEU A 36 -5.320 -10.020 -7.933 1.00 23.44 H new ATOM 0 HD12 LEU A 36 -4.777 -9.125 -9.372 1.00 23.44 H new ATOM 0 HD13 LEU A 36 -3.688 -10.295 -8.587 1.00 23.44 H new ATOM 0 HD21 LEU A 36 -4.414 -9.467 -5.696 1.00 54.21 H new ATOM 0 HD22 LEU A 36 -2.740 -9.712 -6.247 1.00 54.21 H new ATOM 0 HD23 LEU A 36 -3.216 -8.165 -5.507 1.00 54.21 H new ATOM 554 N THR A 37 -3.514 -4.769 -8.662 1.00 11.32 N ATOM 555 CA THR A 37 -4.347 -3.596 -8.358 1.00 2.33 C ATOM 556 C THR A 37 -3.734 -2.315 -8.947 1.00 31.31 C ATOM 557 O THR A 37 -2.697 -2.360 -9.611 1.00 50.52 O ATOM 558 CB THR A 37 -4.532 -3.417 -6.830 1.00 4.44 C ATOM 559 OG1 THR A 37 -3.253 -3.277 -6.193 1.00 52.31 O ATOM 560 CG2 THR A 37 -5.276 -4.603 -6.220 1.00 60.12 C ATOM 0 H THR A 37 -2.535 -4.662 -8.398 1.00 11.32 H new ATOM 0 HA THR A 37 -5.321 -3.770 -8.814 1.00 2.33 H new ATOM 0 HB THR A 37 -5.125 -2.517 -6.668 1.00 4.44 H new ATOM 0 HG1 THR A 37 -2.707 -4.069 -6.378 1.00 52.31 H new ATOM 0 HG21 THR A 37 -5.390 -4.448 -5.147 1.00 60.12 H new ATOM 0 HG22 THR A 37 -6.260 -4.691 -6.681 1.00 60.12 H new ATOM 0 HG23 THR A 37 -4.710 -5.517 -6.396 1.00 60.12 H new ATOM 568 N SER A 38 -4.385 -1.174 -8.716 1.00 74.33 N ATOM 569 CA SER A 38 -3.897 0.118 -9.230 1.00 62.15 C ATOM 570 C SER A 38 -3.518 1.072 -8.091 1.00 4.05 C ATOM 571 O SER A 38 -3.896 0.862 -6.939 1.00 23.52 O ATOM 572 CB SER A 38 -4.961 0.778 -10.117 1.00 23.02 C ATOM 573 OG SER A 38 -4.514 2.027 -10.625 1.00 54.23 O ATOM 0 H SER A 38 -5.250 -1.112 -8.178 1.00 74.33 H new ATOM 0 HA SER A 38 -3.003 -0.084 -9.820 1.00 62.15 H new ATOM 0 HB2 SER A 38 -5.208 0.114 -10.946 1.00 23.02 H new ATOM 0 HB3 SER A 38 -5.876 0.924 -9.542 1.00 23.02 H new ATOM 0 HG SER A 38 -5.214 2.421 -11.187 1.00 54.23 H new ATOM 579 N TYR A 39 -2.774 2.127 -8.424 1.00 12.45 N ATOM 580 CA TYR A 39 -2.334 3.113 -7.434 1.00 63.44 C ATOM 581 C TYR A 39 -3.489 4.027 -6.998 1.00 24.33 C ATOM 582 O TYR A 39 -3.836 4.988 -7.689 1.00 71.43 O ATOM 583 CB TYR A 39 -1.175 3.955 -7.989 1.00 42.14 C ATOM 584 CG TYR A 39 0.110 3.171 -8.189 1.00 24.31 C ATOM 585 CD1 TYR A 39 0.382 2.525 -9.393 1.00 4.41 C ATOM 586 CD2 TYR A 39 1.050 3.070 -7.167 1.00 12.42 C ATOM 587 CE1 TYR A 39 1.550 1.807 -9.571 1.00 32.12 C ATOM 588 CE2 TYR A 39 2.220 2.355 -7.341 1.00 40.44 C ATOM 589 CZ TYR A 39 2.465 1.724 -8.543 1.00 73.01 C ATOM 590 OH TYR A 39 3.631 1.010 -8.722 1.00 62.44 O ATOM 0 H TYR A 39 -2.462 2.322 -9.375 1.00 12.45 H new ATOM 0 HA TYR A 39 -1.987 2.566 -6.557 1.00 63.44 H new ATOM 0 HB2 TYR A 39 -1.477 4.389 -8.942 1.00 42.14 H new ATOM 0 HB3 TYR A 39 -0.982 4.784 -7.308 1.00 42.14 H new ATOM 0 HD1 TYR A 39 -0.332 2.586 -10.201 1.00 4.41 H new ATOM 0 HD2 TYR A 39 0.862 3.559 -6.222 1.00 12.42 H new ATOM 0 HE1 TYR A 39 1.745 1.313 -10.511 1.00 32.12 H new ATOM 0 HE2 TYR A 39 2.940 2.291 -6.539 1.00 40.44 H new ATOM 0 HH TYR A 39 4.268 1.240 -8.014 1.00 62.44 H new ATOM 600 N PHE A 40 -4.086 3.715 -5.852 1.00 13.03 N ATOM 601 CA PHE A 40 -5.198 4.506 -5.313 1.00 13.33 C ATOM 602 C PHE A 40 -4.679 5.729 -4.531 1.00 20.41 C ATOM 603 O PHE A 40 -4.039 5.582 -3.488 1.00 5.22 O ATOM 604 CB PHE A 40 -6.068 3.626 -4.407 1.00 75.31 C ATOM 605 CG PHE A 40 -6.482 2.319 -5.046 1.00 24.13 C ATOM 606 CD1 PHE A 40 -7.332 2.306 -6.146 1.00 14.23 C ATOM 607 CD2 PHE A 40 -6.025 1.104 -4.547 1.00 51.21 C ATOM 608 CE1 PHE A 40 -7.715 1.113 -6.731 1.00 35.43 C ATOM 609 CE2 PHE A 40 -6.405 -0.091 -5.133 1.00 73.33 C ATOM 610 CZ PHE A 40 -7.251 -0.086 -6.225 1.00 23.31 C ATOM 0 H PHE A 40 -3.820 2.918 -5.274 1.00 13.03 H new ATOM 0 HA PHE A 40 -5.799 4.870 -6.146 1.00 13.33 H new ATOM 0 HB2 PHE A 40 -5.522 3.414 -3.488 1.00 75.31 H new ATOM 0 HB3 PHE A 40 -6.962 4.182 -4.125 1.00 75.31 H new ATOM 0 HD1 PHE A 40 -7.698 3.239 -6.549 1.00 14.23 H new ATOM 0 HD2 PHE A 40 -5.366 1.093 -3.692 1.00 51.21 H new ATOM 0 HE1 PHE A 40 -8.377 1.118 -7.584 1.00 35.43 H new ATOM 0 HE2 PHE A 40 -6.040 -1.027 -4.737 1.00 73.33 H new ATOM 0 HZ PHE A 40 -7.549 -1.018 -6.682 1.00 23.31 H new ATOM 620 N PHE A 41 -4.954 6.931 -5.041 1.00 72.41 N ATOM 621 CA PHE A 41 -4.429 8.173 -4.450 1.00 3.55 C ATOM 622 C PHE A 41 -5.232 8.649 -3.221 1.00 34.35 C ATOM 623 O PHE A 41 -6.356 9.140 -3.340 1.00 65.14 O ATOM 624 CB PHE A 41 -4.385 9.287 -5.507 1.00 32.14 C ATOM 625 CG PHE A 41 -3.368 9.048 -6.597 1.00 33.35 C ATOM 626 CD1 PHE A 41 -3.705 8.346 -7.746 1.00 24.54 C ATOM 627 CD2 PHE A 41 -2.070 9.525 -6.466 1.00 75.23 C ATOM 628 CE1 PHE A 41 -2.770 8.128 -8.741 1.00 24.42 C ATOM 629 CE2 PHE A 41 -1.133 9.309 -7.459 1.00 33.44 C ATOM 630 CZ PHE A 41 -1.483 8.609 -8.596 1.00 11.11 C ATOM 0 H PHE A 41 -5.539 7.075 -5.864 1.00 72.41 H new ATOM 0 HA PHE A 41 -3.421 7.947 -4.102 1.00 3.55 H new ATOM 0 HB2 PHE A 41 -5.372 9.387 -5.958 1.00 32.14 H new ATOM 0 HB3 PHE A 41 -4.162 10.234 -5.015 1.00 32.14 H new ATOM 0 HD1 PHE A 41 -4.709 7.966 -7.864 1.00 24.54 H new ATOM 0 HD2 PHE A 41 -1.790 10.071 -5.578 1.00 75.23 H new ATOM 0 HE1 PHE A 41 -3.046 7.582 -9.631 1.00 24.42 H new ATOM 0 HE2 PHE A 41 -0.128 9.688 -7.345 1.00 33.44 H new ATOM 0 HZ PHE A 41 -0.751 8.437 -9.372 1.00 11.11 H new ATOM 640 N TRP A 42 -4.629 8.502 -2.048 1.00 41.42 N ATOM 641 CA TRP A 42 -5.174 9.041 -0.795 1.00 31.13 C ATOM 642 C TRP A 42 -4.549 10.429 -0.501 1.00 14.52 C ATOM 643 O TRP A 42 -3.392 10.677 -0.854 1.00 1.34 O ATOM 644 CB TRP A 42 -4.910 8.015 0.339 1.00 32.53 C ATOM 645 CG TRP A 42 -4.637 8.593 1.702 1.00 12.42 C ATOM 646 CD1 TRP A 42 -3.446 9.080 2.145 1.00 32.03 C ATOM 647 CD2 TRP A 42 -5.548 8.712 2.806 1.00 62.32 C ATOM 648 NE1 TRP A 42 -3.552 9.507 3.436 1.00 53.11 N ATOM 649 CE2 TRP A 42 -4.831 9.296 3.869 1.00 50.34 C ATOM 650 CE3 TRP A 42 -6.896 8.393 2.998 1.00 74.23 C ATOM 651 CZ2 TRP A 42 -5.411 9.565 5.103 1.00 45.01 C ATOM 652 CZ3 TRP A 42 -7.473 8.661 4.225 1.00 32.01 C ATOM 653 CH2 TRP A 42 -6.732 9.243 5.265 1.00 63.03 C ATOM 0 H TRP A 42 -3.746 8.005 -1.932 1.00 41.42 H new ATOM 0 HA TRP A 42 -6.251 9.192 -0.872 1.00 31.13 H new ATOM 0 HB2 TRP A 42 -5.774 7.355 0.413 1.00 32.53 H new ATOM 0 HB3 TRP A 42 -4.060 7.397 0.052 1.00 32.53 H new ATOM 0 HD1 TRP A 42 -2.542 9.123 1.556 1.00 32.03 H new ATOM 0 HE1 TRP A 42 -2.799 9.917 3.989 1.00 53.11 H new ATOM 0 HE3 TRP A 42 -7.475 7.946 2.203 1.00 74.23 H new ATOM 0 HZ2 TRP A 42 -4.841 10.011 5.904 1.00 45.01 H new ATOM 0 HZ3 TRP A 42 -8.513 8.418 4.386 1.00 32.01 H new ATOM 0 HH2 TRP A 42 -7.213 9.441 6.212 1.00 63.03 H new ATOM 664 N PRO A 43 -5.296 11.370 0.130 1.00 62.14 N ATOM 665 CA PRO A 43 -6.671 11.160 0.611 1.00 44.43 C ATOM 666 C PRO A 43 -7.773 11.542 -0.401 1.00 51.43 C ATOM 667 O PRO A 43 -8.923 11.745 -0.013 1.00 71.14 O ATOM 668 CB PRO A 43 -6.712 12.092 1.823 1.00 41.43 C ATOM 669 CG PRO A 43 -5.869 13.261 1.421 1.00 32.14 C ATOM 670 CD PRO A 43 -4.825 12.733 0.457 1.00 22.34 C ATOM 0 HA PRO A 43 -6.875 10.108 0.811 1.00 44.43 H new ATOM 0 HB2 PRO A 43 -7.732 12.398 2.054 1.00 41.43 H new ATOM 0 HB3 PRO A 43 -6.316 11.604 2.713 1.00 41.43 H new ATOM 0 HG2 PRO A 43 -6.477 14.033 0.949 1.00 32.14 H new ATOM 0 HG3 PRO A 43 -5.397 13.716 2.292 1.00 32.14 H new ATOM 0 HD2 PRO A 43 -4.754 13.355 -0.435 1.00 22.34 H new ATOM 0 HD3 PRO A 43 -3.835 12.715 0.912 1.00 22.34 H new ATOM 678 N ARG A 44 -7.436 11.639 -1.691 1.00 73.23 N ATOM 679 CA ARG A 44 -8.454 11.926 -2.715 1.00 51.40 C ATOM 680 C ARG A 44 -9.523 10.821 -2.741 1.00 2.22 C ATOM 681 O ARG A 44 -10.716 11.089 -2.904 1.00 42.43 O ATOM 682 CB ARG A 44 -7.818 12.075 -4.104 1.00 62.33 C ATOM 683 CG ARG A 44 -6.873 13.268 -4.227 1.00 62.42 C ATOM 684 CD ARG A 44 -6.494 13.542 -5.679 1.00 44.13 C ATOM 685 NE ARG A 44 -5.542 14.646 -5.802 1.00 70.51 N ATOM 686 CZ ARG A 44 -5.657 15.634 -6.649 1.00 51.31 C ATOM 687 NH1 ARG A 44 -6.673 15.711 -7.450 1.00 1.53 N ATOM 688 NH2 ARG A 44 -4.751 16.554 -6.685 1.00 72.23 N ATOM 0 H ARG A 44 -6.488 11.526 -2.049 1.00 73.23 H new ATOM 0 HA ARG A 44 -8.929 12.871 -2.453 1.00 51.40 H new ATOM 0 HB2 ARG A 44 -7.269 11.163 -4.341 1.00 62.33 H new ATOM 0 HB3 ARG A 44 -8.610 12.173 -4.847 1.00 62.33 H new ATOM 0 HG2 ARG A 44 -7.347 14.153 -3.802 1.00 62.42 H new ATOM 0 HG3 ARG A 44 -5.971 13.079 -3.645 1.00 62.42 H new ATOM 0 HD2 ARG A 44 -6.062 12.642 -6.116 1.00 44.13 H new ATOM 0 HD3 ARG A 44 -7.393 13.774 -6.250 1.00 44.13 H new ATOM 0 HE ARG A 44 -4.731 14.644 -5.183 1.00 70.51 H new ATOM 0 HH11 ARG A 44 -7.398 14.994 -7.425 1.00 1.53 H new ATOM 0 HH12 ARG A 44 -6.748 16.489 -8.105 1.00 1.53 H new ATOM 0 HH21 ARG A 44 -3.951 16.507 -6.054 1.00 72.23 H new ATOM 0 HH22 ARG A 44 -4.836 17.328 -7.344 1.00 72.23 H new ATOM 702 N ALA A 45 -9.075 9.581 -2.574 1.00 44.23 N ATOM 703 CA ALA A 45 -9.968 8.426 -2.468 1.00 0.14 C ATOM 704 C ALA A 45 -9.466 7.459 -1.387 1.00 74.11 C ATOM 705 O ALA A 45 -8.264 7.389 -1.119 1.00 62.42 O ATOM 706 CB ALA A 45 -10.076 7.710 -3.812 1.00 32.14 C ATOM 0 H ALA A 45 -8.085 9.346 -2.508 1.00 44.23 H new ATOM 0 HA ALA A 45 -10.959 8.781 -2.184 1.00 0.14 H new ATOM 0 HB1 ALA A 45 -10.744 6.854 -3.716 1.00 32.14 H new ATOM 0 HB2 ALA A 45 -10.473 8.397 -4.559 1.00 32.14 H new ATOM 0 HB3 ALA A 45 -9.089 7.367 -4.122 1.00 32.14 H new ATOM 712 N ASP A 46 -10.385 6.728 -0.758 1.00 12.52 N ATOM 713 CA ASP A 46 -10.016 5.737 0.259 1.00 25.02 C ATOM 714 C ASP A 46 -9.117 4.634 -0.330 1.00 53.41 C ATOM 715 O ASP A 46 -9.599 3.587 -0.766 1.00 51.14 O ATOM 716 CB ASP A 46 -11.272 5.114 0.872 1.00 1.53 C ATOM 717 CG ASP A 46 -12.145 6.138 1.570 1.00 64.44 C ATOM 718 OD1 ASP A 46 -12.880 6.863 0.877 1.00 64.34 O ATOM 719 OD2 ASP A 46 -12.104 6.212 2.816 1.00 60.23 O ATOM 0 H ASP A 46 -11.387 6.801 -0.932 1.00 12.52 H new ATOM 0 HA ASP A 46 -9.453 6.253 1.037 1.00 25.02 H new ATOM 0 HB2 ASP A 46 -11.849 4.622 0.089 1.00 1.53 H new ATOM 0 HB3 ASP A 46 -10.981 4.343 1.585 1.00 1.53 H new ATOM 724 N ALA A 47 -7.811 4.888 -0.350 1.00 23.05 N ATOM 725 CA ALA A 47 -6.835 3.949 -0.912 1.00 62.02 C ATOM 726 C ALA A 47 -6.940 2.557 -0.277 1.00 52.40 C ATOM 727 O ALA A 47 -7.008 1.547 -0.978 1.00 14.41 O ATOM 728 CB ALA A 47 -5.424 4.502 -0.743 1.00 4.32 C ATOM 0 H ALA A 47 -7.398 5.744 0.020 1.00 23.05 H new ATOM 0 HA ALA A 47 -7.058 3.838 -1.973 1.00 62.02 H new ATOM 0 HB1 ALA A 47 -4.705 3.799 -1.163 1.00 4.32 H new ATOM 0 HB2 ALA A 47 -5.343 5.457 -1.262 1.00 4.32 H new ATOM 0 HB3 ALA A 47 -5.214 4.646 0.317 1.00 4.32 H new ATOM 734 N TRP A 48 -6.964 2.517 1.053 1.00 62.14 N ATOM 735 CA TRP A 48 -7.031 1.253 1.793 1.00 35.24 C ATOM 736 C TRP A 48 -8.349 0.508 1.517 1.00 74.24 C ATOM 737 O TRP A 48 -8.361 -0.714 1.352 1.00 32.24 O ATOM 738 CB TRP A 48 -6.870 1.522 3.296 1.00 4.13 C ATOM 739 CG TRP A 48 -6.684 0.280 4.119 1.00 54.12 C ATOM 740 CD1 TRP A 48 -5.552 -0.477 4.212 1.00 40.25 C ATOM 741 CD2 TRP A 48 -7.657 -0.344 4.966 1.00 15.21 C ATOM 742 NE1 TRP A 48 -5.759 -1.528 5.070 1.00 64.20 N ATOM 743 CE2 TRP A 48 -7.044 -1.473 5.541 1.00 40.52 C ATOM 744 CE3 TRP A 48 -8.987 -0.058 5.293 1.00 3.05 C ATOM 745 CZ2 TRP A 48 -7.714 -2.314 6.424 1.00 43.23 C ATOM 746 CZ3 TRP A 48 -9.650 -0.895 6.170 1.00 51.20 C ATOM 747 CH2 TRP A 48 -9.014 -2.012 6.727 1.00 22.24 C ATOM 0 H TRP A 48 -6.938 3.347 1.645 1.00 62.14 H new ATOM 0 HA TRP A 48 -6.216 0.614 1.453 1.00 35.24 H new ATOM 0 HB2 TRP A 48 -6.013 2.179 3.448 1.00 4.13 H new ATOM 0 HB3 TRP A 48 -7.749 2.056 3.656 1.00 4.13 H new ATOM 0 HD1 TRP A 48 -4.629 -0.278 3.688 1.00 40.25 H new ATOM 0 HE1 TRP A 48 -5.067 -2.236 5.317 1.00 64.20 H new ATOM 0 HE3 TRP A 48 -9.486 0.800 4.868 1.00 3.05 H new ATOM 0 HZ2 TRP A 48 -7.225 -3.175 6.855 1.00 43.23 H new ATOM 0 HZ3 TRP A 48 -10.677 -0.684 6.431 1.00 51.20 H new ATOM 0 HH2 TRP A 48 -9.560 -2.647 7.409 1.00 22.24 H new ATOM 758 N GLN A 49 -9.454 1.249 1.461 1.00 73.24 N ATOM 759 CA GLN A 49 -10.770 0.660 1.188 1.00 62.21 C ATOM 760 C GLN A 49 -10.845 0.083 -0.235 1.00 42.33 C ATOM 761 O GLN A 49 -11.270 -1.055 -0.434 1.00 23.54 O ATOM 762 CB GLN A 49 -11.876 1.705 1.387 1.00 44.12 C ATOM 763 CG GLN A 49 -13.288 1.168 1.155 1.00 41.01 C ATOM 764 CD GLN A 49 -13.695 0.082 2.143 1.00 70.43 C ATOM 765 OE1 GLN A 49 -14.443 -0.829 1.806 1.00 20.30 O ATOM 766 NE2 GLN A 49 -13.232 0.184 3.373 1.00 51.44 N ATOM 0 H GLN A 49 -9.467 2.259 1.601 1.00 73.24 H new ATOM 0 HA GLN A 49 -10.917 -0.158 1.893 1.00 62.21 H new ATOM 0 HB2 GLN A 49 -11.811 2.100 2.401 1.00 44.12 H new ATOM 0 HB3 GLN A 49 -11.700 2.539 0.708 1.00 44.12 H new ATOM 0 HG2 GLN A 49 -13.997 1.993 1.221 1.00 41.01 H new ATOM 0 HG3 GLN A 49 -13.355 0.771 0.142 1.00 41.01 H new ATOM 0 HE21 GLN A 49 -12.611 0.954 3.622 1.00 51.44 H new ATOM 0 HE22 GLN A 49 -13.495 -0.507 4.076 1.00 51.44 H new ATOM 775 N GLN A 50 -10.421 0.867 -1.222 1.00 41.33 N ATOM 776 CA GLN A 50 -10.434 0.419 -2.619 1.00 23.51 C ATOM 777 C GLN A 50 -9.464 -0.757 -2.835 1.00 34.41 C ATOM 778 O GLN A 50 -9.722 -1.645 -3.649 1.00 52.31 O ATOM 779 CB GLN A 50 -10.089 1.588 -3.556 1.00 72.21 C ATOM 780 CG GLN A 50 -11.051 2.773 -3.432 1.00 43.30 C ATOM 781 CD GLN A 50 -10.764 3.905 -4.412 1.00 31.02 C ATOM 782 OE1 GLN A 50 -11.668 4.625 -4.825 1.00 60.53 O ATOM 783 NE2 GLN A 50 -9.513 4.081 -4.785 1.00 43.13 N ATOM 0 H GLN A 50 -10.065 1.813 -1.086 1.00 41.33 H new ATOM 0 HA GLN A 50 -11.439 0.068 -2.855 1.00 23.51 H new ATOM 0 HB2 GLN A 50 -9.076 1.928 -3.342 1.00 72.21 H new ATOM 0 HB3 GLN A 50 -10.094 1.232 -4.586 1.00 72.21 H new ATOM 0 HG2 GLN A 50 -12.070 2.419 -3.589 1.00 43.30 H new ATOM 0 HG3 GLN A 50 -11.002 3.164 -2.416 1.00 43.30 H new ATOM 0 HE21 GLN A 50 -8.782 3.467 -4.425 1.00 43.13 H new ATOM 0 HE22 GLN A 50 -9.275 4.831 -5.434 1.00 43.13 H new ATOM 792 N LEU A 51 -8.357 -0.762 -2.090 1.00 0.54 N ATOM 793 CA LEU A 51 -7.389 -1.864 -2.152 1.00 24.50 C ATOM 794 C LEU A 51 -7.981 -3.167 -1.587 1.00 35.04 C ATOM 795 O LEU A 51 -7.976 -4.205 -2.256 1.00 2.15 O ATOM 796 CB LEU A 51 -6.111 -1.497 -1.387 1.00 30.42 C ATOM 797 CG LEU A 51 -5.007 -2.569 -1.408 1.00 13.54 C ATOM 798 CD1 LEU A 51 -4.545 -2.845 -2.837 1.00 22.11 C ATOM 799 CD2 LEU A 51 -3.833 -2.153 -0.522 1.00 43.11 C ATOM 0 H LEU A 51 -8.107 -0.019 -1.438 1.00 0.54 H new ATOM 0 HA LEU A 51 -7.145 -2.029 -3.201 1.00 24.50 H new ATOM 0 HB2 LEU A 51 -5.708 -0.575 -1.805 1.00 30.42 H new ATOM 0 HB3 LEU A 51 -6.374 -1.289 -0.350 1.00 30.42 H new ATOM 0 HG LEU A 51 -5.421 -3.494 -1.006 1.00 13.54 H new ATOM 0 HD11 LEU A 51 -3.765 -3.606 -2.827 1.00 22.11 H new ATOM 0 HD12 LEU A 51 -5.388 -3.198 -3.430 1.00 22.11 H new ATOM 0 HD13 LEU A 51 -4.152 -1.928 -3.276 1.00 22.11 H new ATOM 0 HD21 LEU A 51 -3.064 -2.925 -0.551 1.00 43.11 H new ATOM 0 HD22 LEU A 51 -3.418 -1.213 -0.886 1.00 43.11 H new ATOM 0 HD23 LEU A 51 -4.179 -2.024 0.504 1.00 43.11 H new ATOM 811 N LYS A 52 -8.497 -3.109 -0.356 1.00 3.11 N ATOM 812 CA LYS A 52 -9.080 -4.293 0.289 1.00 42.44 C ATOM 813 C LYS A 52 -10.270 -4.833 -0.517 1.00 73.10 C ATOM 814 O LYS A 52 -10.450 -6.043 -0.634 1.00 64.31 O ATOM 815 CB LYS A 52 -9.512 -3.977 1.735 1.00 1.21 C ATOM 816 CG LYS A 52 -10.729 -3.060 1.848 1.00 64.14 C ATOM 817 CD LYS A 52 -10.996 -2.630 3.289 1.00 65.23 C ATOM 818 CE LYS A 52 -11.320 -3.808 4.205 1.00 0.32 C ATOM 819 NZ LYS A 52 -12.607 -4.463 3.851 1.00 2.14 N ATOM 0 H LYS A 52 -8.524 -2.262 0.212 1.00 3.11 H new ATOM 0 HA LYS A 52 -8.310 -5.064 0.320 1.00 42.44 H new ATOM 0 HB2 LYS A 52 -9.730 -4.914 2.248 1.00 1.21 H new ATOM 0 HB3 LYS A 52 -8.675 -3.514 2.258 1.00 1.21 H new ATOM 0 HG2 LYS A 52 -10.574 -2.176 1.230 1.00 64.14 H new ATOM 0 HG3 LYS A 52 -11.607 -3.574 1.455 1.00 64.14 H new ATOM 0 HD2 LYS A 52 -10.122 -2.105 3.675 1.00 65.23 H new ATOM 0 HD3 LYS A 52 -11.826 -1.923 3.305 1.00 65.23 H new ATOM 0 HE2 LYS A 52 -10.515 -4.541 4.149 1.00 0.32 H new ATOM 0 HE3 LYS A 52 -11.364 -3.461 5.237 1.00 0.32 H new ATOM 0 HZ1 LYS A 52 -12.775 -5.266 4.490 1.00 2.14 H new ATOM 0 HZ2 LYS A 52 -13.383 -3.777 3.946 1.00 2.14 H new ATOM 0 HZ3 LYS A 52 -12.564 -4.804 2.869 1.00 2.14 H new ATOM 833 N ASP A 53 -11.058 -3.926 -1.095 1.00 61.11 N ATOM 834 CA ASP A 53 -12.228 -4.303 -1.896 1.00 55.51 C ATOM 835 C ASP A 53 -11.824 -5.235 -3.058 1.00 23.20 C ATOM 836 O ASP A 53 -12.504 -6.227 -3.344 1.00 50.41 O ATOM 837 CB ASP A 53 -12.915 -3.036 -2.424 1.00 1.35 C ATOM 838 CG ASP A 53 -14.372 -3.269 -2.779 1.00 43.53 C ATOM 839 OD1 ASP A 53 -15.217 -3.257 -1.858 1.00 71.01 O ATOM 840 OD2 ASP A 53 -14.683 -3.457 -3.972 1.00 13.00 O ATOM 0 H ASP A 53 -10.908 -2.920 -1.024 1.00 61.11 H new ATOM 0 HA ASP A 53 -12.928 -4.851 -1.265 1.00 55.51 H new ATOM 0 HB2 ASP A 53 -12.849 -2.250 -1.671 1.00 1.35 H new ATOM 0 HB3 ASP A 53 -12.382 -2.678 -3.305 1.00 1.35 H new ATOM 845 N GLU A 54 -10.707 -4.908 -3.709 1.00 15.44 N ATOM 846 CA GLU A 54 -10.122 -5.764 -4.753 1.00 24.03 C ATOM 847 C GLU A 54 -9.677 -7.121 -4.184 1.00 22.31 C ATOM 848 O GLU A 54 -10.061 -8.177 -4.688 1.00 61.41 O ATOM 849 CB GLU A 54 -8.914 -5.058 -5.394 1.00 70.44 C ATOM 850 CG GLU A 54 -9.280 -3.946 -6.373 1.00 12.22 C ATOM 851 CD GLU A 54 -9.729 -4.485 -7.723 1.00 23.20 C ATOM 852 OE1 GLU A 54 -10.927 -4.802 -7.882 1.00 42.34 O ATOM 853 OE2 GLU A 54 -8.881 -4.609 -8.630 1.00 70.32 O ATOM 0 H GLU A 54 -10.183 -4.051 -3.533 1.00 15.44 H new ATOM 0 HA GLU A 54 -10.890 -5.943 -5.506 1.00 24.03 H new ATOM 0 HB2 GLU A 54 -8.292 -4.639 -4.603 1.00 70.44 H new ATOM 0 HB3 GLU A 54 -8.310 -5.800 -5.916 1.00 70.44 H new ATOM 0 HG2 GLU A 54 -10.076 -3.337 -5.945 1.00 12.22 H new ATOM 0 HG3 GLU A 54 -8.419 -3.292 -6.514 1.00 12.22 H new ATOM 860 N LEU A 55 -8.871 -7.078 -3.125 1.00 71.33 N ATOM 861 CA LEU A 55 -8.301 -8.291 -2.517 1.00 72.13 C ATOM 862 C LEU A 55 -9.389 -9.261 -2.013 1.00 1.12 C ATOM 863 O LEU A 55 -9.248 -10.477 -2.118 1.00 22.00 O ATOM 864 CB LEU A 55 -7.371 -7.900 -1.359 1.00 33.31 C ATOM 865 CG LEU A 55 -6.185 -6.996 -1.744 1.00 32.54 C ATOM 866 CD1 LEU A 55 -5.380 -6.599 -0.507 1.00 73.44 C ATOM 867 CD2 LEU A 55 -5.286 -7.687 -2.772 1.00 54.14 C ATOM 0 H LEU A 55 -8.593 -6.212 -2.663 1.00 71.33 H new ATOM 0 HA LEU A 55 -7.737 -8.812 -3.290 1.00 72.13 H new ATOM 0 HB2 LEU A 55 -7.961 -7.392 -0.596 1.00 33.31 H new ATOM 0 HB3 LEU A 55 -6.980 -8.811 -0.905 1.00 33.31 H new ATOM 0 HG LEU A 55 -6.586 -6.089 -2.196 1.00 32.54 H new ATOM 0 HD11 LEU A 55 -4.548 -5.961 -0.804 1.00 73.44 H new ATOM 0 HD12 LEU A 55 -6.023 -6.058 0.187 1.00 73.44 H new ATOM 0 HD13 LEU A 55 -4.995 -7.495 -0.021 1.00 73.44 H new ATOM 0 HD21 LEU A 55 -4.455 -7.030 -3.029 1.00 54.14 H new ATOM 0 HD22 LEU A 55 -4.898 -8.615 -2.351 1.00 54.14 H new ATOM 0 HD23 LEU A 55 -5.864 -7.909 -3.669 1.00 54.14 H new ATOM 879 N GLU A 56 -10.465 -8.713 -1.458 1.00 74.11 N ATOM 880 CA GLU A 56 -11.570 -9.522 -0.926 1.00 35.41 C ATOM 881 C GLU A 56 -12.463 -10.081 -2.049 1.00 74.10 C ATOM 882 O GLU A 56 -13.093 -11.131 -1.890 1.00 52.45 O ATOM 883 CB GLU A 56 -12.395 -8.684 0.057 1.00 61.42 C ATOM 884 CG GLU A 56 -11.575 -8.159 1.234 1.00 32.32 C ATOM 885 CD GLU A 56 -12.352 -7.211 2.130 1.00 63.53 C ATOM 886 OE1 GLU A 56 -12.733 -6.117 1.659 1.00 34.04 O ATOM 887 OE2 GLU A 56 -12.580 -7.548 3.309 1.00 1.32 O ATOM 0 H GLU A 56 -10.601 -7.707 -1.362 1.00 74.11 H new ATOM 0 HA GLU A 56 -11.144 -10.377 -0.402 1.00 35.41 H new ATOM 0 HB2 GLU A 56 -12.836 -7.841 -0.475 1.00 61.42 H new ATOM 0 HB3 GLU A 56 -13.219 -9.288 0.437 1.00 61.42 H new ATOM 0 HG2 GLU A 56 -11.223 -9.003 1.828 1.00 32.32 H new ATOM 0 HG3 GLU A 56 -10.692 -7.646 0.853 1.00 32.32 H new ATOM 894 N ALA A 57 -12.527 -9.371 -3.174 1.00 72.24 N ATOM 895 CA ALA A 57 -13.245 -9.862 -4.358 1.00 22.21 C ATOM 896 C ALA A 57 -12.485 -11.026 -5.009 1.00 54.13 C ATOM 897 O ALA A 57 -13.080 -12.005 -5.471 1.00 54.53 O ATOM 898 CB ALA A 57 -13.443 -8.736 -5.365 1.00 21.33 C ATOM 0 H ALA A 57 -12.093 -8.456 -3.295 1.00 72.24 H new ATOM 0 HA ALA A 57 -14.223 -10.223 -4.038 1.00 22.21 H new ATOM 0 HB1 ALA A 57 -13.976 -9.117 -6.236 1.00 21.33 H new ATOM 0 HB2 ALA A 57 -14.023 -7.935 -4.906 1.00 21.33 H new ATOM 0 HB3 ALA A 57 -12.472 -8.350 -5.674 1.00 21.33 H new ATOM 904 N LYS A 58 -11.164 -10.910 -5.038 1.00 42.51 N ATOM 905 CA LYS A 58 -10.304 -11.958 -5.582 1.00 30.41 C ATOM 906 C LYS A 58 -10.125 -13.081 -4.548 1.00 2.24 C ATOM 907 O LYS A 58 -9.219 -13.044 -3.715 1.00 63.04 O ATOM 908 CB LYS A 58 -8.955 -11.350 -5.984 1.00 51.00 C ATOM 909 CG LYS A 58 -9.092 -10.141 -6.907 1.00 45.30 C ATOM 910 CD LYS A 58 -7.759 -9.433 -7.131 1.00 53.23 C ATOM 911 CE LYS A 58 -7.923 -8.174 -7.981 1.00 10.04 C ATOM 912 NZ LYS A 58 -8.569 -8.460 -9.290 1.00 42.23 N ATOM 0 H LYS A 58 -10.660 -10.095 -4.689 1.00 42.51 H new ATOM 0 HA LYS A 58 -10.766 -12.392 -6.469 1.00 30.41 H new ATOM 0 HB2 LYS A 58 -8.415 -11.053 -5.085 1.00 51.00 H new ATOM 0 HB3 LYS A 58 -8.354 -12.112 -6.480 1.00 51.00 H new ATOM 0 HG2 LYS A 58 -9.496 -10.463 -7.867 1.00 45.30 H new ATOM 0 HG3 LYS A 58 -9.807 -9.439 -6.479 1.00 45.30 H new ATOM 0 HD2 LYS A 58 -7.322 -9.168 -6.168 1.00 53.23 H new ATOM 0 HD3 LYS A 58 -7.063 -10.114 -7.620 1.00 53.23 H new ATOM 0 HE2 LYS A 58 -8.520 -7.444 -7.435 1.00 10.04 H new ATOM 0 HE3 LYS A 58 -6.946 -7.723 -8.151 1.00 10.04 H new ATOM 0 HZ1 LYS A 58 -8.508 -7.619 -9.899 1.00 42.23 H new ATOM 0 HZ2 LYS A 58 -8.084 -9.256 -9.750 1.00 42.23 H new ATOM 0 HZ3 LYS A 58 -9.568 -8.705 -9.138 1.00 42.23 H new ATOM 926 N HIS A 59 -11.002 -14.080 -4.606 1.00 31.43 N ATOM 927 CA HIS A 59 -11.095 -15.099 -3.553 1.00 2.25 C ATOM 928 C HIS A 59 -9.911 -16.084 -3.547 1.00 71.43 C ATOM 929 O HIS A 59 -9.845 -16.972 -2.693 1.00 52.42 O ATOM 930 CB HIS A 59 -12.428 -15.847 -3.666 1.00 43.23 C ATOM 931 CG HIS A 59 -13.609 -14.988 -3.321 1.00 23.02 C ATOM 932 ND1 HIS A 59 -14.233 -14.163 -4.229 1.00 1.14 N ATOM 933 CD2 HIS A 59 -14.264 -14.812 -2.148 1.00 73.02 C ATOM 934 CE1 HIS A 59 -15.213 -13.516 -3.636 1.00 34.53 C ATOM 935 NE2 HIS A 59 -15.255 -13.891 -2.376 1.00 53.41 N ATOM 0 H HIS A 59 -11.663 -14.209 -5.372 1.00 31.43 H new ATOM 0 HA HIS A 59 -11.049 -14.574 -2.599 1.00 2.25 H new ATOM 0 HB2 HIS A 59 -12.543 -16.223 -4.683 1.00 43.23 H new ATOM 0 HB3 HIS A 59 -12.410 -16.714 -3.005 1.00 43.23 H new ATOM 0 HD1 HIS A 59 -13.975 -14.068 -5.211 1.00 1.14 H new ATOM 0 HD2 HIS A 59 -14.047 -15.304 -1.211 1.00 73.02 H new ATOM 0 HE1 HIS A 59 -15.871 -12.799 -4.104 1.00 34.53 H new ATOM 944 N TRP A 60 -8.983 -15.940 -4.493 1.00 60.34 N ATOM 945 CA TRP A 60 -7.742 -16.725 -4.462 1.00 0.01 C ATOM 946 C TRP A 60 -6.724 -16.117 -3.477 1.00 73.04 C ATOM 947 O TRP A 60 -5.681 -16.712 -3.200 1.00 1.41 O ATOM 948 CB TRP A 60 -7.143 -16.874 -5.872 1.00 20.21 C ATOM 949 CG TRP A 60 -6.762 -15.585 -6.551 1.00 51.23 C ATOM 950 CD1 TRP A 60 -7.603 -14.679 -7.133 1.00 71.11 C ATOM 951 CD2 TRP A 60 -5.435 -15.086 -6.752 1.00 75.20 C ATOM 952 NE1 TRP A 60 -6.879 -13.644 -7.675 1.00 13.10 N ATOM 953 CE2 TRP A 60 -5.545 -13.870 -7.452 1.00 23.01 C ATOM 954 CE3 TRP A 60 -4.166 -15.548 -6.399 1.00 15.34 C ATOM 955 CZ2 TRP A 60 -4.431 -13.113 -7.812 1.00 14.14 C ATOM 956 CZ3 TRP A 60 -3.062 -14.798 -6.755 1.00 2.03 C ATOM 957 CH2 TRP A 60 -3.200 -13.591 -7.455 1.00 23.11 C ATOM 0 H TRP A 60 -9.061 -15.297 -5.281 1.00 60.34 H new ATOM 0 HA TRP A 60 -7.988 -17.725 -4.104 1.00 0.01 H new ATOM 0 HB2 TRP A 60 -6.258 -17.506 -5.807 1.00 20.21 H new ATOM 0 HB3 TRP A 60 -7.863 -17.397 -6.501 1.00 20.21 H new ATOM 0 HD1 TRP A 60 -8.679 -14.764 -7.163 1.00 71.11 H new ATOM 0 HE1 TRP A 60 -7.270 -12.839 -8.164 1.00 13.10 H new ATOM 0 HE3 TRP A 60 -4.049 -16.475 -5.857 1.00 15.34 H new ATOM 0 HZ2 TRP A 60 -4.536 -12.184 -8.353 1.00 14.14 H new ATOM 0 HZ3 TRP A 60 -2.075 -15.147 -6.489 1.00 2.03 H new ATOM 0 HH2 TRP A 60 -2.317 -13.027 -7.718 1.00 23.11 H new ATOM 968 N ILE A 61 -7.042 -14.928 -2.952 1.00 3.51 N ATOM 969 CA ILE A 61 -6.280 -14.320 -1.854 1.00 11.24 C ATOM 970 C ILE A 61 -6.771 -14.874 -0.504 1.00 4.10 C ATOM 971 O ILE A 61 -7.976 -14.887 -0.231 1.00 31.14 O ATOM 972 CB ILE A 61 -6.417 -12.763 -1.837 1.00 25.03 C ATOM 973 CG1 ILE A 61 -5.651 -12.101 -3.000 1.00 4.32 C ATOM 974 CG2 ILE A 61 -5.931 -12.192 -0.504 1.00 14.20 C ATOM 975 CD1 ILE A 61 -6.096 -12.530 -4.377 1.00 32.24 C ATOM 0 H ILE A 61 -7.829 -14.363 -3.273 1.00 3.51 H new ATOM 0 HA ILE A 61 -5.231 -14.572 -2.013 1.00 11.24 H new ATOM 0 HB ILE A 61 -7.476 -12.536 -1.962 1.00 25.03 H new ATOM 0 HG12 ILE A 61 -5.760 -11.019 -2.919 1.00 4.32 H new ATOM 0 HG13 ILE A 61 -4.590 -12.324 -2.891 1.00 4.32 H new ATOM 0 HG21 ILE A 61 -6.035 -11.107 -0.513 1.00 14.20 H new ATOM 0 HG22 ILE A 61 -6.528 -12.607 0.309 1.00 14.20 H new ATOM 0 HG23 ILE A 61 -4.884 -12.455 -0.356 1.00 14.20 H new ATOM 0 HD11 ILE A 61 -5.501 -12.012 -5.129 1.00 32.24 H new ATOM 0 HD12 ILE A 61 -5.960 -13.606 -4.484 1.00 32.24 H new ATOM 0 HD13 ILE A 61 -7.149 -12.282 -4.513 1.00 32.24 H new ATOM 987 N ALA A 62 -5.847 -15.327 0.339 1.00 42.41 N ATOM 988 CA ALA A 62 -6.208 -15.872 1.652 1.00 71.02 C ATOM 989 C ALA A 62 -6.157 -14.796 2.750 1.00 22.10 C ATOM 990 O ALA A 62 -5.668 -13.683 2.531 1.00 33.52 O ATOM 991 CB ALA A 62 -5.291 -17.038 2.005 1.00 34.51 C ATOM 0 H ALA A 62 -4.846 -15.329 0.141 1.00 42.41 H new ATOM 0 HA ALA A 62 -7.236 -16.230 1.593 1.00 71.02 H new ATOM 0 HB1 ALA A 62 -5.567 -17.435 2.982 1.00 34.51 H new ATOM 0 HB2 ALA A 62 -5.392 -17.821 1.253 1.00 34.51 H new ATOM 0 HB3 ALA A 62 -4.258 -16.693 2.033 1.00 34.51 H new ATOM 997 N GLU A 63 -6.668 -15.146 3.931 1.00 5.52 N ATOM 998 CA GLU A 63 -6.688 -14.240 5.088 1.00 62.05 C ATOM 999 C GLU A 63 -5.303 -13.636 5.361 1.00 53.21 C ATOM 1000 O GLU A 63 -5.123 -12.419 5.282 1.00 62.01 O ATOM 1001 CB GLU A 63 -7.186 -14.996 6.329 1.00 54.22 C ATOM 1002 CG GLU A 63 -7.201 -14.163 7.608 1.00 72.23 C ATOM 1003 CD GLU A 63 -7.616 -14.979 8.821 1.00 51.33 C ATOM 1004 OE1 GLU A 63 -6.763 -15.699 9.380 1.00 13.22 O ATOM 1005 OE2 GLU A 63 -8.802 -14.918 9.209 1.00 72.14 O ATOM 0 H GLU A 63 -7.079 -16.061 4.116 1.00 5.52 H new ATOM 0 HA GLU A 63 -7.367 -13.419 4.860 1.00 62.05 H new ATOM 0 HB2 GLU A 63 -8.194 -15.363 6.136 1.00 54.22 H new ATOM 0 HB3 GLU A 63 -6.554 -15.870 6.486 1.00 54.22 H new ATOM 0 HG2 GLU A 63 -6.210 -13.743 7.777 1.00 72.23 H new ATOM 0 HG3 GLU A 63 -7.886 -13.324 7.485 1.00 72.23 H new ATOM 1012 N ALA A 64 -4.335 -14.499 5.672 1.00 65.53 N ATOM 1013 CA ALA A 64 -2.955 -14.074 5.943 1.00 14.44 C ATOM 1014 C ALA A 64 -2.432 -13.087 4.887 1.00 64.50 C ATOM 1015 O ALA A 64 -1.866 -12.046 5.222 1.00 42.31 O ATOM 1016 CB ALA A 64 -2.042 -15.296 6.015 1.00 73.04 C ATOM 0 H ALA A 64 -4.480 -15.506 5.744 1.00 65.53 H new ATOM 0 HA ALA A 64 -2.954 -13.554 6.901 1.00 14.44 H new ATOM 0 HB1 ALA A 64 -1.020 -14.975 6.216 1.00 73.04 H new ATOM 0 HB2 ALA A 64 -2.379 -15.956 6.815 1.00 73.04 H new ATOM 0 HB3 ALA A 64 -2.074 -15.831 5.066 1.00 73.04 H new ATOM 1022 N ASP A 65 -2.639 -13.415 3.613 1.00 51.20 N ATOM 1023 CA ASP A 65 -2.141 -12.589 2.510 1.00 33.23 C ATOM 1024 C ASP A 65 -2.768 -11.184 2.503 1.00 3.43 C ATOM 1025 O ASP A 65 -2.050 -10.183 2.450 1.00 51.12 O ATOM 1026 CB ASP A 65 -2.402 -13.288 1.176 1.00 74.42 C ATOM 1027 CG ASP A 65 -1.754 -14.660 1.125 1.00 21.54 C ATOM 1028 OD1 ASP A 65 -0.531 -14.739 0.885 1.00 22.33 O ATOM 1029 OD2 ASP A 65 -2.460 -15.662 1.350 1.00 60.13 O ATOM 0 H ASP A 65 -3.149 -14.247 3.317 1.00 51.20 H new ATOM 0 HA ASP A 65 -1.068 -12.463 2.656 1.00 33.23 H new ATOM 0 HB2 ASP A 65 -3.476 -13.387 1.021 1.00 74.42 H new ATOM 0 HB3 ASP A 65 -2.018 -12.674 0.362 1.00 74.42 H new ATOM 1034 N ARG A 66 -4.103 -11.105 2.560 1.00 61.21 N ATOM 1035 CA ARG A 66 -4.786 -9.803 2.516 1.00 30.01 C ATOM 1036 C ARG A 66 -4.502 -8.974 3.781 1.00 71.25 C ATOM 1037 O ARG A 66 -4.202 -7.785 3.695 1.00 20.21 O ATOM 1038 CB ARG A 66 -6.308 -9.955 2.307 1.00 62.53 C ATOM 1039 CG ARG A 66 -7.051 -10.671 3.435 1.00 13.32 C ATOM 1040 CD ARG A 66 -8.568 -10.602 3.250 1.00 43.33 C ATOM 1041 NE ARG A 66 -9.285 -11.323 4.303 1.00 74.25 N ATOM 1042 CZ ARG A 66 -10.270 -10.825 5.008 1.00 24.41 C ATOM 1043 NH1 ARG A 66 -10.704 -9.623 4.789 1.00 44.22 N ATOM 1044 NH2 ARG A 66 -10.837 -11.543 5.922 1.00 10.42 N ATOM 0 H ARG A 66 -4.724 -11.911 2.635 1.00 61.21 H new ATOM 0 HA ARG A 66 -4.382 -9.269 1.656 1.00 30.01 H new ATOM 0 HB2 ARG A 66 -6.742 -8.963 2.180 1.00 62.53 H new ATOM 0 HB3 ARG A 66 -6.479 -10.499 1.378 1.00 62.53 H new ATOM 0 HG2 ARG A 66 -6.737 -11.714 3.473 1.00 13.32 H new ATOM 0 HG3 ARG A 66 -6.781 -10.222 4.391 1.00 13.32 H new ATOM 0 HD2 ARG A 66 -8.885 -9.559 3.245 1.00 43.33 H new ATOM 0 HD3 ARG A 66 -8.834 -11.021 2.279 1.00 43.33 H new ATOM 0 HE ARG A 66 -8.997 -12.281 4.502 1.00 74.25 H new ATOM 0 HH11 ARG A 66 -10.277 -9.052 4.060 1.00 44.22 H new ATOM 0 HH12 ARG A 66 -11.472 -9.249 5.346 1.00 44.22 H new ATOM 0 HH21 ARG A 66 -10.517 -12.496 6.093 1.00 10.42 H new ATOM 0 HH22 ARG A 66 -11.604 -11.156 6.472 1.00 10.42 H new ATOM 1058 N ILE A 67 -4.576 -9.606 4.950 1.00 23.14 N ATOM 1059 CA ILE A 67 -4.345 -8.904 6.219 1.00 33.01 C ATOM 1060 C ILE A 67 -2.913 -8.340 6.294 1.00 3.01 C ATOM 1061 O ILE A 67 -2.710 -7.178 6.651 1.00 35.03 O ATOM 1062 CB ILE A 67 -4.606 -9.836 7.435 1.00 15.31 C ATOM 1063 CG1 ILE A 67 -6.060 -10.350 7.419 1.00 73.25 C ATOM 1064 CG2 ILE A 67 -4.302 -9.120 8.754 1.00 5.54 C ATOM 1065 CD1 ILE A 67 -7.105 -9.254 7.496 1.00 73.14 C ATOM 0 H ILE A 67 -4.793 -10.598 5.049 1.00 23.14 H new ATOM 0 HA ILE A 67 -5.050 -8.074 6.258 1.00 33.01 H new ATOM 0 HB ILE A 67 -3.935 -10.691 7.355 1.00 15.31 H new ATOM 0 HG12 ILE A 67 -6.220 -10.927 6.508 1.00 73.25 H new ATOM 0 HG13 ILE A 67 -6.202 -11.032 8.257 1.00 73.25 H new ATOM 0 HG21 ILE A 67 -4.494 -9.796 9.587 1.00 5.54 H new ATOM 0 HG22 ILE A 67 -3.256 -8.813 8.769 1.00 5.54 H new ATOM 0 HG23 ILE A 67 -4.940 -8.241 8.846 1.00 5.54 H new ATOM 0 HD11 ILE A 67 -8.100 -9.698 7.479 1.00 73.14 H new ATOM 0 HD12 ILE A 67 -6.974 -8.691 8.420 1.00 73.14 H new ATOM 0 HD13 ILE A 67 -6.993 -8.584 6.644 1.00 73.14 H new ATOM 1077 N ASN A 68 -1.931 -9.161 5.923 1.00 12.53 N ATOM 1078 CA ASN A 68 -0.519 -8.759 5.959 1.00 22.24 C ATOM 1079 C ASN A 68 -0.257 -7.506 5.101 1.00 63.41 C ATOM 1080 O ASN A 68 0.323 -6.525 5.579 1.00 23.11 O ATOM 1081 CB ASN A 68 0.366 -9.923 5.493 1.00 41.02 C ATOM 1082 CG ASN A 68 1.847 -9.589 5.522 1.00 64.23 C ATOM 1083 OD1 ASN A 68 2.506 -9.725 6.549 1.00 32.51 O ATOM 1084 ND2 ASN A 68 2.385 -9.165 4.396 1.00 42.31 N ATOM 0 H ASN A 68 -2.085 -10.113 5.592 1.00 12.53 H new ATOM 0 HA ASN A 68 -0.269 -8.504 6.989 1.00 22.24 H new ATOM 0 HB2 ASN A 68 0.182 -10.789 6.128 1.00 41.02 H new ATOM 0 HB3 ASN A 68 0.082 -10.205 4.479 1.00 41.02 H new ATOM 0 HD21 ASN A 68 3.379 -8.938 4.359 1.00 42.31 H new ATOM 0 HD22 ASN A 68 1.808 -9.064 3.561 1.00 42.31 H new ATOM 1091 N VAL A 69 -0.693 -7.534 3.839 1.00 5.32 N ATOM 1092 CA VAL A 69 -0.480 -6.398 2.932 1.00 45.23 C ATOM 1093 C VAL A 69 -1.310 -5.167 3.344 1.00 25.21 C ATOM 1094 O VAL A 69 -0.865 -4.030 3.184 1.00 44.24 O ATOM 1095 CB VAL A 69 -0.785 -6.766 1.456 1.00 42.33 C ATOM 1096 CG1 VAL A 69 0.154 -7.872 0.971 1.00 42.40 C ATOM 1097 CG2 VAL A 69 -2.249 -7.173 1.282 1.00 34.52 C ATOM 0 H VAL A 69 -1.191 -8.321 3.423 1.00 5.32 H new ATOM 0 HA VAL A 69 0.577 -6.144 3.012 1.00 45.23 H new ATOM 0 HB VAL A 69 -0.612 -5.881 0.843 1.00 42.33 H new ATOM 0 HG11 VAL A 69 -0.076 -8.116 -0.066 1.00 42.40 H new ATOM 0 HG12 VAL A 69 1.187 -7.530 1.043 1.00 42.40 H new ATOM 0 HG13 VAL A 69 0.022 -8.759 1.590 1.00 42.40 H new ATOM 0 HG21 VAL A 69 -2.435 -7.426 0.238 1.00 34.52 H new ATOM 0 HG22 VAL A 69 -2.463 -8.039 1.909 1.00 34.52 H new ATOM 0 HG23 VAL A 69 -2.894 -6.345 1.575 1.00 34.52 H new ATOM 1107 N LEU A 70 -2.508 -5.392 3.886 1.00 51.11 N ATOM 1108 CA LEU A 70 -3.365 -4.289 4.346 1.00 14.54 C ATOM 1109 C LEU A 70 -2.800 -3.608 5.606 1.00 41.21 C ATOM 1110 O LEU A 70 -2.969 -2.402 5.793 1.00 41.24 O ATOM 1111 CB LEU A 70 -4.793 -4.784 4.616 1.00 14.50 C ATOM 1112 CG LEU A 70 -5.607 -5.163 3.367 1.00 24.14 C ATOM 1113 CD1 LEU A 70 -6.974 -5.721 3.758 1.00 13.02 C ATOM 1114 CD2 LEU A 70 -5.755 -3.961 2.436 1.00 52.31 C ATOM 0 H LEU A 70 -2.908 -6.321 4.018 1.00 51.11 H new ATOM 0 HA LEU A 70 -3.388 -3.549 3.546 1.00 14.54 H new ATOM 0 HB2 LEU A 70 -4.740 -5.653 5.272 1.00 14.50 H new ATOM 0 HB3 LEU A 70 -5.332 -4.007 5.158 1.00 14.50 H new ATOM 0 HG LEU A 70 -5.066 -5.943 2.831 1.00 24.14 H new ATOM 0 HD11 LEU A 70 -7.531 -5.982 2.858 1.00 13.02 H new ATOM 0 HD12 LEU A 70 -6.841 -6.611 4.373 1.00 13.02 H new ATOM 0 HD13 LEU A 70 -7.526 -4.969 4.322 1.00 13.02 H new ATOM 0 HD21 LEU A 70 -6.334 -4.250 1.559 1.00 52.31 H new ATOM 0 HD22 LEU A 70 -6.269 -3.155 2.961 1.00 52.31 H new ATOM 0 HD23 LEU A 70 -4.768 -3.619 2.124 1.00 52.31 H new ATOM 1126 N ASN A 71 -2.147 -4.382 6.474 1.00 11.42 N ATOM 1127 CA ASN A 71 -1.516 -3.825 7.679 1.00 45.12 C ATOM 1128 C ASN A 71 -0.340 -2.902 7.328 1.00 52.45 C ATOM 1129 O ASN A 71 -0.294 -1.752 7.768 1.00 23.02 O ATOM 1130 CB ASN A 71 -1.049 -4.945 8.616 1.00 23.42 C ATOM 1131 CG ASN A 71 -2.201 -5.603 9.348 1.00 71.53 C ATOM 1132 OD1 ASN A 71 -3.215 -4.975 9.631 1.00 52.11 O ATOM 1133 ND2 ASN A 71 -2.057 -6.870 9.662 1.00 3.12 N ATOM 0 H ASN A 71 -2.040 -5.391 6.369 1.00 11.42 H new ATOM 0 HA ASN A 71 -2.269 -3.228 8.193 1.00 45.12 H new ATOM 0 HB2 ASN A 71 -0.512 -5.697 8.039 1.00 23.42 H new ATOM 0 HB3 ASN A 71 -0.346 -4.538 9.342 1.00 23.42 H new ATOM 0 HD21 ASN A 71 -2.802 -7.361 10.156 1.00 3.12 H new ATOM 0 HD22 ASN A 71 -1.200 -7.363 9.412 1.00 3.12 H new ATOM 1140 N GLN A 72 0.600 -3.401 6.526 1.00 1.23 N ATOM 1141 CA GLN A 72 1.750 -2.591 6.103 1.00 54.02 C ATOM 1142 C GLN A 72 1.300 -1.382 5.261 1.00 35.25 C ATOM 1143 O GLN A 72 1.871 -0.295 5.366 1.00 43.41 O ATOM 1144 CB GLN A 72 2.765 -3.452 5.336 1.00 75.21 C ATOM 1145 CG GLN A 72 2.194 -4.145 4.103 1.00 20.25 C ATOM 1146 CD GLN A 72 3.186 -5.084 3.428 1.00 33.32 C ATOM 1147 OE1 GLN A 72 3.147 -5.279 2.218 1.00 11.20 O ATOM 1148 NE2 GLN A 72 4.075 -5.684 4.201 1.00 74.01 N ATOM 0 H GLN A 72 0.592 -4.352 6.157 1.00 1.23 H new ATOM 0 HA GLN A 72 2.239 -2.205 6.997 1.00 54.02 H new ATOM 0 HB2 GLN A 72 3.601 -2.822 5.030 1.00 75.21 H new ATOM 0 HB3 GLN A 72 3.166 -4.208 6.011 1.00 75.21 H new ATOM 0 HG2 GLN A 72 1.307 -4.710 4.390 1.00 20.25 H new ATOM 0 HG3 GLN A 72 1.873 -3.390 3.386 1.00 20.25 H new ATOM 0 HE21 GLN A 72 4.083 -5.502 5.205 1.00 74.01 H new ATOM 0 HE22 GLN A 72 4.752 -6.329 3.794 1.00 74.01 H new ATOM 1157 N ALA A 73 0.263 -1.571 4.437 1.00 33.24 N ATOM 1158 CA ALA A 73 -0.342 -0.462 3.690 1.00 41.24 C ATOM 1159 C ALA A 73 -0.921 0.591 4.648 1.00 1.25 C ATOM 1160 O ALA A 73 -0.742 1.794 4.451 1.00 13.44 O ATOM 1161 CB ALA A 73 -1.423 -0.982 2.749 1.00 40.24 C ATOM 0 H ALA A 73 -0.174 -2.478 4.271 1.00 33.24 H new ATOM 0 HA ALA A 73 0.437 0.014 3.094 1.00 41.24 H new ATOM 0 HB1 ALA A 73 -1.862 -0.147 2.202 1.00 40.24 H new ATOM 0 HB2 ALA A 73 -0.983 -1.687 2.043 1.00 40.24 H new ATOM 0 HB3 ALA A 73 -2.198 -1.484 3.328 1.00 40.24 H new ATOM 1167 N THR A 74 -1.609 0.124 5.694 1.00 31.32 N ATOM 1168 CA THR A 74 -2.130 1.010 6.747 1.00 32.52 C ATOM 1169 C THR A 74 -0.996 1.789 7.429 1.00 4.13 C ATOM 1170 O THR A 74 -1.120 2.990 7.681 1.00 65.31 O ATOM 1171 CB THR A 74 -2.926 0.218 7.821 1.00 51.34 C ATOM 1172 OG1 THR A 74 -4.144 -0.294 7.258 1.00 20.14 O ATOM 1173 CG2 THR A 74 -3.257 1.082 9.034 1.00 64.40 C ATOM 0 H THR A 74 -1.820 -0.864 5.837 1.00 31.32 H new ATOM 0 HA THR A 74 -2.805 1.713 6.259 1.00 32.52 H new ATOM 0 HB THR A 74 -2.293 -0.606 8.151 1.00 51.34 H new ATOM 0 HG1 THR A 74 -3.938 -1.035 6.651 1.00 20.14 H new ATOM 0 HG21 THR A 74 -3.814 0.491 9.761 1.00 64.40 H new ATOM 0 HG22 THR A 74 -2.333 1.440 9.489 1.00 64.40 H new ATOM 0 HG23 THR A 74 -3.861 1.933 8.720 1.00 64.40 H new ATOM 1181 N GLU A 75 0.109 1.101 7.725 1.00 52.24 N ATOM 1182 CA GLU A 75 1.290 1.755 8.303 1.00 55.30 C ATOM 1183 C GLU A 75 1.785 2.899 7.407 1.00 24.22 C ATOM 1184 O GLU A 75 2.019 4.008 7.880 1.00 2.31 O ATOM 1185 CB GLU A 75 2.426 0.746 8.519 1.00 40.12 C ATOM 1186 CG GLU A 75 2.135 -0.317 9.571 1.00 54.33 C ATOM 1187 CD GLU A 75 3.356 -1.169 9.877 1.00 13.32 C ATOM 1188 OE1 GLU A 75 4.156 -0.777 10.755 1.00 50.15 O ATOM 1189 OE2 GLU A 75 3.537 -2.222 9.233 1.00 25.34 O ATOM 0 H GLU A 75 0.213 0.097 7.576 1.00 52.24 H new ATOM 0 HA GLU A 75 0.992 2.167 9.267 1.00 55.30 H new ATOM 0 HB2 GLU A 75 2.641 0.252 7.571 1.00 40.12 H new ATOM 0 HB3 GLU A 75 3.326 1.288 8.808 1.00 40.12 H new ATOM 0 HG2 GLU A 75 1.791 0.164 10.486 1.00 54.33 H new ATOM 0 HG3 GLU A 75 1.324 -0.958 9.224 1.00 54.33 H new ATOM 1196 N VAL A 76 1.939 2.618 6.113 1.00 23.12 N ATOM 1197 CA VAL A 76 2.377 3.629 5.140 1.00 50.35 C ATOM 1198 C VAL A 76 1.435 4.849 5.119 1.00 23.52 C ATOM 1199 O VAL A 76 1.885 5.994 5.183 1.00 14.32 O ATOM 1200 CB VAL A 76 2.471 3.037 3.708 1.00 1.40 C ATOM 1201 CG1 VAL A 76 2.848 4.118 2.693 1.00 4.43 C ATOM 1202 CG2 VAL A 76 3.472 1.881 3.665 1.00 41.32 C ATOM 0 H VAL A 76 1.767 1.697 5.710 1.00 23.12 H new ATOM 0 HA VAL A 76 3.367 3.953 5.460 1.00 50.35 H new ATOM 0 HB VAL A 76 1.489 2.649 3.438 1.00 1.40 H new ATOM 0 HG11 VAL A 76 2.907 3.678 1.698 1.00 4.43 H new ATOM 0 HG12 VAL A 76 2.091 4.902 2.698 1.00 4.43 H new ATOM 0 HG13 VAL A 76 3.815 4.545 2.959 1.00 4.43 H new ATOM 0 HG21 VAL A 76 3.522 1.481 2.652 1.00 41.32 H new ATOM 0 HG22 VAL A 76 4.457 2.241 3.962 1.00 41.32 H new ATOM 0 HG23 VAL A 76 3.151 1.096 4.350 1.00 41.32 H new ATOM 1212 N ILE A 77 0.129 4.592 5.034 1.00 55.52 N ATOM 1213 CA ILE A 77 -0.877 5.664 5.029 1.00 71.51 C ATOM 1214 C ILE A 77 -0.806 6.513 6.312 1.00 72.01 C ATOM 1215 O ILE A 77 -0.753 7.743 6.253 1.00 43.33 O ATOM 1216 CB ILE A 77 -2.308 5.086 4.865 1.00 30.54 C ATOM 1217 CG1 ILE A 77 -2.437 4.354 3.514 1.00 5.20 C ATOM 1218 CG2 ILE A 77 -3.362 6.190 4.984 1.00 52.22 C ATOM 1219 CD1 ILE A 77 -3.792 3.717 3.284 1.00 72.22 C ATOM 0 H ILE A 77 -0.261 3.652 4.968 1.00 55.52 H new ATOM 0 HA ILE A 77 -0.654 6.306 4.177 1.00 71.51 H new ATOM 0 HB ILE A 77 -2.482 4.369 5.668 1.00 30.54 H new ATOM 0 HG12 ILE A 77 -2.238 5.062 2.709 1.00 5.20 H new ATOM 0 HG13 ILE A 77 -1.670 3.582 3.456 1.00 5.20 H new ATOM 0 HG21 ILE A 77 -4.356 5.758 4.865 1.00 52.22 H new ATOM 0 HG22 ILE A 77 -3.286 6.662 5.964 1.00 52.22 H new ATOM 0 HG23 ILE A 77 -3.196 6.937 4.208 1.00 52.22 H new ATOM 0 HD11 ILE A 77 -3.801 3.223 2.313 1.00 72.22 H new ATOM 0 HD12 ILE A 77 -3.987 2.983 4.066 1.00 72.22 H new ATOM 0 HD13 ILE A 77 -4.564 4.486 3.307 1.00 72.22 H new ATOM 1231 N ASN A 78 -0.798 5.852 7.470 1.00 62.41 N ATOM 1232 CA ASN A 78 -0.715 6.553 8.757 1.00 63.51 C ATOM 1233 C ASN A 78 0.630 7.277 8.926 1.00 60.43 C ATOM 1234 O ASN A 78 0.694 8.354 9.517 1.00 12.33 O ATOM 1235 CB ASN A 78 -0.926 5.575 9.919 1.00 30.13 C ATOM 1236 CG ASN A 78 -2.303 4.933 9.903 1.00 34.51 C ATOM 1237 OD1 ASN A 78 -3.261 5.495 9.378 1.00 61.22 O ATOM 1238 ND2 ASN A 78 -2.418 3.764 10.499 1.00 41.33 N ATOM 0 H ASN A 78 -0.848 4.836 7.546 1.00 62.41 H new ATOM 0 HA ASN A 78 -1.507 7.302 8.767 1.00 63.51 H new ATOM 0 HB2 ASN A 78 -0.166 4.795 9.875 1.00 30.13 H new ATOM 0 HB3 ASN A 78 -0.787 6.103 10.862 1.00 30.13 H new ATOM 0 HD21 ASN A 78 -3.324 3.297 10.535 1.00 41.33 H new ATOM 0 HD22 ASN A 78 -1.601 3.326 10.925 1.00 41.33 H new ATOM 1245 N PHE A 79 1.699 6.678 8.411 1.00 1.22 N ATOM 1246 CA PHE A 79 3.036 7.281 8.467 1.00 13.14 C ATOM 1247 C PHE A 79 3.088 8.572 7.638 1.00 13.44 C ATOM 1248 O PHE A 79 3.470 9.627 8.137 1.00 51.43 O ATOM 1249 CB PHE A 79 4.082 6.277 7.961 1.00 61.05 C ATOM 1250 CG PHE A 79 5.510 6.759 8.069 1.00 24.02 C ATOM 1251 CD1 PHE A 79 6.134 6.847 9.306 1.00 71.41 C ATOM 1252 CD2 PHE A 79 6.230 7.120 6.936 1.00 73.51 C ATOM 1253 CE1 PHE A 79 7.440 7.286 9.412 1.00 14.13 C ATOM 1254 CE2 PHE A 79 7.536 7.558 7.039 1.00 12.34 C ATOM 1255 CZ PHE A 79 8.143 7.640 8.277 1.00 11.43 C ATOM 0 H PHE A 79 1.670 5.770 7.947 1.00 1.22 H new ATOM 0 HA PHE A 79 3.260 7.536 9.503 1.00 13.14 H new ATOM 0 HB2 PHE A 79 3.980 5.349 8.524 1.00 61.05 H new ATOM 0 HB3 PHE A 79 3.868 6.042 6.918 1.00 61.05 H new ATOM 0 HD1 PHE A 79 5.591 6.569 10.197 1.00 71.41 H new ATOM 0 HD2 PHE A 79 5.763 7.057 5.964 1.00 73.51 H new ATOM 0 HE1 PHE A 79 7.911 7.352 10.382 1.00 14.13 H new ATOM 0 HE2 PHE A 79 8.083 7.837 6.151 1.00 12.34 H new ATOM 0 HZ PHE A 79 9.165 7.980 8.357 1.00 11.43 H new ATOM 1265 N TRP A 80 2.688 8.475 6.371 1.00 30.14 N ATOM 1266 CA TRP A 80 2.616 9.638 5.478 1.00 31.11 C ATOM 1267 C TRP A 80 1.748 10.755 6.091 1.00 55.50 C ATOM 1268 O TRP A 80 2.139 11.926 6.114 1.00 23.24 O ATOM 1269 CB TRP A 80 2.049 9.200 4.122 1.00 55.42 C ATOM 1270 CG TRP A 80 1.868 10.319 3.138 1.00 53.25 C ATOM 1271 CD1 TRP A 80 2.808 10.824 2.284 1.00 5.52 C ATOM 1272 CD2 TRP A 80 0.666 11.065 2.896 1.00 44.41 C ATOM 1273 NE1 TRP A 80 2.264 11.830 1.525 1.00 3.10 N ATOM 1274 CE2 TRP A 80 0.954 11.996 1.884 1.00 45.15 C ATOM 1275 CE3 TRP A 80 -0.627 11.031 3.436 1.00 34.00 C ATOM 1276 CZ2 TRP A 80 -0.001 12.883 1.401 1.00 12.20 C ATOM 1277 CZ3 TRP A 80 -1.571 11.915 2.953 1.00 3.41 C ATOM 1278 CH2 TRP A 80 -1.253 12.828 1.946 1.00 24.01 C ATOM 0 H TRP A 80 2.406 7.597 5.934 1.00 30.14 H new ATOM 0 HA TRP A 80 3.620 10.039 5.340 1.00 31.11 H new ATOM 0 HB2 TRP A 80 2.714 8.453 3.687 1.00 55.42 H new ATOM 0 HB3 TRP A 80 1.087 8.714 4.283 1.00 55.42 H new ATOM 0 HD1 TRP A 80 3.830 10.481 2.216 1.00 5.52 H new ATOM 0 HE1 TRP A 80 2.756 12.366 0.810 1.00 3.10 H new ATOM 0 HE3 TRP A 80 -0.880 10.327 4.215 1.00 34.00 H new ATOM 0 HZ2 TRP A 80 0.238 13.591 0.622 1.00 12.20 H new ATOM 0 HZ3 TRP A 80 -2.571 11.900 3.361 1.00 3.41 H new ATOM 0 HH2 TRP A 80 -2.014 13.506 1.589 1.00 24.01 H new ATOM 1289 N GLN A 81 0.573 10.372 6.592 1.00 32.33 N ATOM 1290 CA GLN A 81 -0.327 11.303 7.283 1.00 42.44 C ATOM 1291 C GLN A 81 0.381 11.969 8.480 1.00 73.31 C ATOM 1292 O GLN A 81 0.284 13.185 8.681 1.00 74.22 O ATOM 1293 CB GLN A 81 -1.581 10.551 7.759 1.00 64.12 C ATOM 1294 CG GLN A 81 -2.634 11.435 8.425 1.00 10.01 C ATOM 1295 CD GLN A 81 -3.820 10.645 8.965 1.00 1.21 C ATOM 1296 OE1 GLN A 81 -4.948 11.133 8.999 1.00 35.43 O ATOM 1297 NE2 GLN A 81 -3.579 9.429 9.413 1.00 1.03 N ATOM 0 H GLN A 81 0.218 9.417 6.533 1.00 32.33 H new ATOM 0 HA GLN A 81 -0.619 12.088 6.585 1.00 42.44 H new ATOM 0 HB2 GLN A 81 -2.034 10.048 6.905 1.00 64.12 H new ATOM 0 HB3 GLN A 81 -1.279 9.775 8.462 1.00 64.12 H new ATOM 0 HG2 GLN A 81 -2.171 11.989 9.242 1.00 10.01 H new ATOM 0 HG3 GLN A 81 -2.992 12.170 7.704 1.00 10.01 H new ATOM 0 HE21 GLN A 81 -2.633 9.049 9.373 1.00 1.03 H new ATOM 0 HE22 GLN A 81 -4.338 8.868 9.800 1.00 1.03 H new ATOM 1306 N ASP A 82 1.099 11.157 9.261 1.00 51.12 N ATOM 1307 CA ASP A 82 1.880 11.646 10.404 1.00 71.22 C ATOM 1308 C ASP A 82 2.912 12.696 9.967 1.00 34.10 C ATOM 1309 O ASP A 82 3.116 13.715 10.636 1.00 64.52 O ATOM 1310 CB ASP A 82 2.592 10.471 11.085 1.00 61.21 C ATOM 1311 CG ASP A 82 3.471 10.914 12.239 1.00 5.42 C ATOM 1312 OD1 ASP A 82 2.924 11.232 13.313 1.00 2.00 O ATOM 1313 OD2 ASP A 82 4.712 10.970 12.072 1.00 60.03 O ATOM 0 H ASP A 82 1.156 10.148 9.121 1.00 51.12 H new ATOM 0 HA ASP A 82 1.194 12.118 11.107 1.00 71.22 H new ATOM 0 HB2 ASP A 82 1.849 9.762 11.450 1.00 61.21 H new ATOM 0 HB3 ASP A 82 3.201 9.944 10.350 1.00 61.21 H new ATOM 1318 N LEU A 83 3.563 12.440 8.842 1.00 33.32 N ATOM 1319 CA LEU A 83 4.554 13.367 8.307 1.00 51.50 C ATOM 1320 C LEU A 83 3.919 14.719 7.963 1.00 63.23 C ATOM 1321 O LEU A 83 4.436 15.766 8.349 1.00 64.44 O ATOM 1322 CB LEU A 83 5.229 12.771 7.066 1.00 11.13 C ATOM 1323 CG LEU A 83 5.859 11.383 7.267 1.00 1.11 C ATOM 1324 CD1 LEU A 83 6.571 10.928 6.000 1.00 33.25 C ATOM 1325 CD2 LEU A 83 6.810 11.377 8.461 1.00 3.22 C ATOM 0 H LEU A 83 3.424 11.599 8.281 1.00 33.32 H new ATOM 0 HA LEU A 83 5.308 13.531 9.077 1.00 51.50 H new ATOM 0 HB2 LEU A 83 4.491 12.705 6.267 1.00 11.13 H new ATOM 0 HB3 LEU A 83 6.004 13.459 6.728 1.00 11.13 H new ATOM 0 HG LEU A 83 5.057 10.676 7.480 1.00 1.11 H new ATOM 0 HD11 LEU A 83 7.010 9.944 6.163 1.00 33.25 H new ATOM 0 HD12 LEU A 83 5.855 10.875 5.180 1.00 33.25 H new ATOM 0 HD13 LEU A 83 7.358 11.639 5.749 1.00 33.25 H new ATOM 0 HD21 LEU A 83 7.240 10.382 8.578 1.00 3.22 H new ATOM 0 HD22 LEU A 83 7.608 12.100 8.294 1.00 3.22 H new ATOM 0 HD23 LEU A 83 6.262 11.644 9.364 1.00 3.22 H new ATOM 1337 N LYS A 84 2.785 14.691 7.263 1.00 4.31 N ATOM 1338 CA LYS A 84 2.119 15.926 6.836 1.00 44.51 C ATOM 1339 C LYS A 84 1.619 16.758 8.030 1.00 70.44 C ATOM 1340 O LYS A 84 1.796 17.979 8.056 1.00 3.45 O ATOM 1341 CB LYS A 84 0.956 15.628 5.877 1.00 11.33 C ATOM 1342 CG LYS A 84 0.248 16.892 5.385 1.00 70.23 C ATOM 1343 CD LYS A 84 -0.814 16.600 4.329 1.00 2.05 C ATOM 1344 CE LYS A 84 -0.209 16.040 3.046 1.00 45.05 C ATOM 1345 NZ LYS A 84 -1.228 15.889 1.972 1.00 2.11 N ATOM 0 H LYS A 84 2.309 13.834 6.980 1.00 4.31 H new ATOM 0 HA LYS A 84 2.868 16.517 6.308 1.00 44.51 H new ATOM 0 HB2 LYS A 84 1.333 15.072 5.019 1.00 11.33 H new ATOM 0 HB3 LYS A 84 0.233 14.986 6.380 1.00 11.33 H new ATOM 0 HG2 LYS A 84 -0.217 17.396 6.232 1.00 70.23 H new ATOM 0 HG3 LYS A 84 0.986 17.579 4.971 1.00 70.23 H new ATOM 0 HD2 LYS A 84 -1.536 15.889 4.729 1.00 2.05 H new ATOM 0 HD3 LYS A 84 -1.360 17.516 4.102 1.00 2.05 H new ATOM 0 HE2 LYS A 84 0.587 16.701 2.701 1.00 45.05 H new ATOM 0 HE3 LYS A 84 0.247 15.072 3.252 1.00 45.05 H new ATOM 0 HZ1 LYS A 84 -1.102 14.971 1.501 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 -2.180 15.937 2.388 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 -1.115 16.654 1.276 1.00 2.11 H new ATOM 1359 N ASN A 85 1.003 16.112 9.024 1.00 54.10 N ATOM 1360 CA ASN A 85 0.485 16.845 10.190 1.00 64.12 C ATOM 1361 C ASN A 85 1.620 17.382 11.081 1.00 4.34 C ATOM 1362 O ASN A 85 1.405 18.259 11.917 1.00 4.43 O ATOM 1363 CB ASN A 85 -0.526 15.996 10.996 1.00 72.23 C ATOM 1364 CG ASN A 85 0.010 14.669 11.526 1.00 61.13 C ATOM 1365 OD1 ASN A 85 -0.681 13.658 11.484 1.00 62.13 O ATOM 1366 ND2 ASN A 85 1.199 14.660 12.091 1.00 64.34 N ATOM 0 H ASN A 85 0.851 15.104 9.050 1.00 54.10 H new ATOM 0 HA ASN A 85 -0.055 17.711 9.809 1.00 64.12 H new ATOM 0 HB2 ASN A 85 -0.881 16.588 11.840 1.00 72.23 H new ATOM 0 HB3 ASN A 85 -1.390 15.793 10.363 1.00 72.23 H new ATOM 0 HD21 ASN A 85 1.561 13.801 12.504 1.00 64.34 H new ATOM 0 HD22 ASN A 85 1.759 15.513 12.115 1.00 64.34 H new ATOM 1373 N GLN A 86 2.830 16.840 10.906 1.00 22.04 N ATOM 1374 CA GLN A 86 4.028 17.365 11.586 1.00 0.33 C ATOM 1375 C GLN A 86 4.928 18.172 10.627 1.00 4.04 C ATOM 1376 O GLN A 86 6.037 18.565 10.994 1.00 74.11 O ATOM 1377 CB GLN A 86 4.835 16.221 12.216 1.00 72.52 C ATOM 1378 CG GLN A 86 4.117 15.519 13.362 1.00 3.34 C ATOM 1379 CD GLN A 86 4.971 14.454 14.022 1.00 20.20 C ATOM 1380 OE1 GLN A 86 5.690 14.715 14.979 1.00 31.20 O ATOM 1381 NE2 GLN A 86 4.910 13.249 13.509 1.00 35.54 N ATOM 0 H GLN A 86 3.010 16.039 10.301 1.00 22.04 H new ATOM 0 HA GLN A 86 3.683 18.039 12.370 1.00 0.33 H new ATOM 0 HB2 GLN A 86 5.071 15.488 11.445 1.00 72.52 H new ATOM 0 HB3 GLN A 86 5.783 16.616 12.581 1.00 72.52 H new ATOM 0 HG2 GLN A 86 3.823 16.257 14.108 1.00 3.34 H new ATOM 0 HG3 GLN A 86 3.201 15.063 12.987 1.00 3.34 H new ATOM 0 HE21 GLN A 86 4.301 13.064 12.712 1.00 35.54 H new ATOM 0 HE22 GLN A 86 5.471 12.496 13.907 1.00 35.54 H new ATOM 1390 N ASN A 87 4.446 18.402 9.401 1.00 33.24 N ATOM 1391 CA ASN A 87 5.174 19.199 8.395 1.00 42.14 C ATOM 1392 C ASN A 87 6.587 18.645 8.109 1.00 62.11 C ATOM 1393 O ASN A 87 7.514 19.400 7.805 1.00 23.35 O ATOM 1394 CB ASN A 87 5.252 20.668 8.837 1.00 23.43 C ATOM 1395 CG ASN A 87 3.879 21.304 8.958 1.00 43.13 C ATOM 1396 OD1 ASN A 87 3.248 21.263 10.008 1.00 44.24 O ATOM 1397 ND2 ASN A 87 3.399 21.898 7.884 1.00 43.33 N ATOM 0 H ASN A 87 3.547 18.046 9.075 1.00 33.24 H new ATOM 0 HA ASN A 87 4.613 19.131 7.463 1.00 42.14 H new ATOM 0 HB2 ASN A 87 5.765 20.730 9.797 1.00 23.43 H new ATOM 0 HB3 ASN A 87 5.849 21.230 8.119 1.00 23.43 H new ATOM 0 HD21 ASN A 87 2.480 22.339 7.913 1.00 43.33 H new ATOM 0 HD22 ASN A 87 3.947 21.917 7.024 1.00 43.33 H new ATOM 1404 N LYS A 88 6.733 17.321 8.176 1.00 23.22 N ATOM 1405 CA LYS A 88 8.012 16.661 7.880 1.00 74.53 C ATOM 1406 C LYS A 88 8.231 16.516 6.363 1.00 71.14 C ATOM 1407 O LYS A 88 9.155 17.108 5.797 1.00 53.32 O ATOM 1408 CB LYS A 88 8.063 15.265 8.524 1.00 53.10 C ATOM 1409 CG LYS A 88 7.933 15.253 10.046 1.00 32.52 C ATOM 1410 CD LYS A 88 7.897 13.820 10.577 1.00 2.34 C ATOM 1411 CE LYS A 88 7.780 13.761 12.092 1.00 3.51 C ATOM 1412 NZ LYS A 88 7.615 12.366 12.575 1.00 21.51 N ATOM 0 H LYS A 88 5.982 16.681 8.433 1.00 23.22 H new ATOM 0 HA LYS A 88 8.801 17.288 8.295 1.00 74.53 H new ATOM 0 HB2 LYS A 88 7.264 14.656 8.101 1.00 53.10 H new ATOM 0 HB3 LYS A 88 9.005 14.789 8.251 1.00 53.10 H new ATOM 0 HG2 LYS A 88 8.771 15.790 10.491 1.00 32.52 H new ATOM 0 HG3 LYS A 88 7.025 15.778 10.342 1.00 32.52 H new ATOM 0 HD2 LYS A 88 7.055 13.292 10.130 1.00 2.34 H new ATOM 0 HD3 LYS A 88 8.802 13.298 10.265 1.00 2.34 H new ATOM 0 HE2 LYS A 88 8.670 14.200 12.543 1.00 3.51 H new ATOM 0 HE3 LYS A 88 6.930 14.361 12.415 1.00 3.51 H new ATOM 0 HZ1 LYS A 88 7.624 12.355 13.615 1.00 21.51 H new ATOM 0 HZ2 LYS A 88 6.710 11.985 12.232 1.00 21.51 H new ATOM 0 HZ3 LYS A 88 8.396 11.780 12.216 1.00 21.51 H new ATOM 1426 N GLN A 89 7.356 15.734 5.717 1.00 35.21 N ATOM 1427 CA GLN A 89 7.490 15.378 4.292 1.00 34.54 C ATOM 1428 C GLN A 89 8.913 14.892 3.951 1.00 22.12 C ATOM 1429 O GLN A 89 9.727 15.643 3.407 1.00 5.40 O ATOM 1430 CB GLN A 89 7.092 16.552 3.379 1.00 40.23 C ATOM 1431 CG GLN A 89 5.624 16.968 3.481 1.00 34.34 C ATOM 1432 CD GLN A 89 5.290 17.672 4.785 1.00 23.14 C ATOM 1433 OE1 GLN A 89 4.919 17.045 5.770 1.00 54.14 O ATOM 1434 NE2 GLN A 89 5.426 18.981 4.801 1.00 53.25 N ATOM 0 H GLN A 89 6.534 15.329 6.165 1.00 35.21 H new ATOM 0 HA GLN A 89 6.802 14.552 4.110 1.00 34.54 H new ATOM 0 HB2 GLN A 89 7.717 17.411 3.621 1.00 40.23 H new ATOM 0 HB3 GLN A 89 7.308 16.281 2.346 1.00 40.23 H new ATOM 0 HG2 GLN A 89 5.381 17.627 2.647 1.00 34.34 H new ATOM 0 HG3 GLN A 89 4.995 16.083 3.382 1.00 34.34 H new ATOM 0 HE21 GLN A 89 5.737 19.472 3.963 1.00 53.25 H new ATOM 0 HE22 GLN A 89 5.220 19.505 5.652 1.00 53.25 H new ATOM 1443 N ILE A 90 9.207 13.635 4.277 1.00 32.41 N ATOM 1444 CA ILE A 90 10.547 13.076 4.061 1.00 4.24 C ATOM 1445 C ILE A 90 10.691 12.458 2.661 1.00 4.54 C ATOM 1446 O ILE A 90 9.710 12.302 1.930 1.00 5.54 O ATOM 1447 CB ILE A 90 10.893 12.000 5.121 1.00 70.53 C ATOM 1448 CG1 ILE A 90 9.986 10.768 4.962 1.00 31.24 C ATOM 1449 CG2 ILE A 90 10.780 12.583 6.530 1.00 10.05 C ATOM 1450 CD1 ILE A 90 10.283 9.656 5.949 1.00 22.42 C ATOM 0 H ILE A 90 8.540 12.983 4.691 1.00 32.41 H new ATOM 0 HA ILE A 90 11.242 13.911 4.154 1.00 4.24 H new ATOM 0 HB ILE A 90 11.924 11.681 4.965 1.00 70.53 H new ATOM 0 HG12 ILE A 90 8.947 11.076 5.079 1.00 31.24 H new ATOM 0 HG13 ILE A 90 10.091 10.379 3.949 1.00 31.24 H new ATOM 0 HG21 ILE A 90 11.026 11.814 7.263 1.00 10.05 H new ATOM 0 HG22 ILE A 90 11.472 13.419 6.634 1.00 10.05 H new ATOM 0 HG23 ILE A 90 9.761 12.932 6.699 1.00 10.05 H new ATOM 0 HD11 ILE A 90 9.603 8.823 5.774 1.00 22.42 H new ATOM 0 HD12 ILE A 90 11.311 9.319 5.818 1.00 22.42 H new ATOM 0 HD13 ILE A 90 10.149 10.026 6.965 1.00 22.42 H new ATOM 1462 N SER A 91 11.923 12.106 2.302 1.00 30.24 N ATOM 1463 CA SER A 91 12.213 11.470 1.011 1.00 52.54 C ATOM 1464 C SER A 91 11.745 10.007 0.977 1.00 1.35 C ATOM 1465 O SER A 91 11.739 9.320 2.001 1.00 34.23 O ATOM 1466 CB SER A 91 13.720 11.532 0.716 1.00 53.30 C ATOM 1467 OG SER A 91 14.138 12.859 0.426 1.00 23.14 O ATOM 0 H SER A 91 12.745 12.250 2.889 1.00 30.24 H new ATOM 0 HA SER A 91 11.663 12.020 0.247 1.00 52.54 H new ATOM 0 HB2 SER A 91 14.276 11.153 1.574 1.00 53.30 H new ATOM 0 HB3 SER A 91 13.954 10.883 -0.128 1.00 53.30 H new ATOM 0 HG SER A 91 15.101 12.866 0.244 1.00 23.14 H new ATOM 1473 N MET A 92 11.363 9.530 -0.211 1.00 31.12 N ATOM 1474 CA MET A 92 10.934 8.133 -0.381 1.00 12.25 C ATOM 1475 C MET A 92 12.038 7.147 0.045 1.00 1.44 C ATOM 1476 O MET A 92 11.752 6.032 0.484 1.00 45.34 O ATOM 1477 CB MET A 92 10.488 7.876 -1.834 1.00 44.23 C ATOM 1478 CG MET A 92 11.497 8.296 -2.900 1.00 65.54 C ATOM 1479 SD MET A 92 12.998 7.297 -2.891 1.00 33.54 S ATOM 1480 CE MET A 92 12.342 5.674 -3.285 1.00 64.40 C ATOM 0 H MET A 92 11.341 10.085 -1.067 1.00 31.12 H new ATOM 0 HA MET A 92 10.079 7.963 0.274 1.00 12.25 H new ATOM 0 HB2 MET A 92 10.278 6.813 -1.952 1.00 44.23 H new ATOM 0 HB3 MET A 92 9.553 8.407 -2.011 1.00 44.23 H new ATOM 0 HG2 MET A 92 11.028 8.227 -3.882 1.00 65.54 H new ATOM 0 HG3 MET A 92 11.763 9.342 -2.747 1.00 65.54 H new ATOM 0 HE1 MET A 92 13.141 5.044 -3.677 1.00 64.40 H new ATOM 0 HE2 MET A 92 11.930 5.219 -2.384 1.00 64.40 H new ATOM 0 HE3 MET A 92 11.556 5.771 -4.034 1.00 64.40 H new ATOM 1490 N ALA A 93 13.298 7.569 -0.078 1.00 14.20 N ATOM 1491 CA ALA A 93 14.430 6.779 0.415 1.00 25.44 C ATOM 1492 C ALA A 93 14.374 6.627 1.941 1.00 63.33 C ATOM 1493 O ALA A 93 14.570 5.535 2.473 1.00 25.33 O ATOM 1494 CB ALA A 93 15.743 7.420 -0.004 1.00 10.21 C ATOM 0 H ALA A 93 13.561 8.453 -0.514 1.00 14.20 H new ATOM 0 HA ALA A 93 14.366 5.784 -0.026 1.00 25.44 H new ATOM 0 HB1 ALA A 93 16.575 6.823 0.369 1.00 10.21 H new ATOM 0 HB2 ALA A 93 15.792 7.471 -1.092 1.00 10.21 H new ATOM 0 HB3 ALA A 93 15.805 8.427 0.410 1.00 10.21 H new ATOM 1500 N GLU A 94 14.092 7.728 2.641 1.00 54.32 N ATOM 1501 CA GLU A 94 13.919 7.691 4.098 1.00 32.31 C ATOM 1502 C GLU A 94 12.767 6.751 4.489 1.00 11.24 C ATOM 1503 O GLU A 94 12.825 6.069 5.515 1.00 71.10 O ATOM 1504 CB GLU A 94 13.657 9.100 4.651 1.00 20.25 C ATOM 1505 CG GLU A 94 14.769 10.098 4.355 1.00 24.12 C ATOM 1506 CD GLU A 94 14.525 11.454 4.999 1.00 22.00 C ATOM 1507 OE1 GLU A 94 14.726 11.579 6.227 1.00 21.14 O ATOM 1508 OE2 GLU A 94 14.138 12.402 4.282 1.00 54.04 O ATOM 0 H GLU A 94 13.979 8.653 2.226 1.00 54.32 H new ATOM 0 HA GLU A 94 14.843 7.310 4.534 1.00 32.31 H new ATOM 0 HB2 GLU A 94 12.724 9.476 4.231 1.00 20.25 H new ATOM 0 HB3 GLU A 94 13.518 9.036 5.730 1.00 20.25 H new ATOM 0 HG2 GLU A 94 15.717 9.696 4.712 1.00 24.12 H new ATOM 0 HG3 GLU A 94 14.862 10.224 3.276 1.00 24.12 H new ATOM 1515 N ALA A 95 11.725 6.715 3.662 1.00 2.35 N ATOM 1516 CA ALA A 95 10.607 5.788 3.870 1.00 50.45 C ATOM 1517 C ALA A 95 11.069 4.325 3.759 1.00 32.14 C ATOM 1518 O ALA A 95 10.564 3.451 4.464 1.00 52.14 O ATOM 1519 CB ALA A 95 9.490 6.076 2.874 1.00 72.15 C ATOM 0 H ALA A 95 11.628 7.314 2.842 1.00 2.35 H new ATOM 0 HA ALA A 95 10.224 5.940 4.879 1.00 50.45 H new ATOM 0 HB1 ALA A 95 8.667 5.381 3.039 1.00 72.15 H new ATOM 0 HB2 ALA A 95 9.135 7.098 3.010 1.00 72.15 H new ATOM 0 HB3 ALA A 95 9.868 5.956 1.859 1.00 72.15 H new ATOM 1525 N GLN A 96 12.043 4.070 2.878 1.00 71.12 N ATOM 1526 CA GLN A 96 12.632 2.730 2.726 1.00 70.14 C ATOM 1527 C GLN A 96 13.382 2.293 3.992 1.00 35.32 C ATOM 1528 O GLN A 96 13.612 1.100 4.208 1.00 62.42 O ATOM 1529 CB GLN A 96 13.578 2.695 1.513 1.00 4.42 C ATOM 1530 CG GLN A 96 12.861 2.808 0.174 1.00 41.43 C ATOM 1531 CD GLN A 96 11.934 1.636 -0.081 1.00 70.15 C ATOM 1532 OE1 GLN A 96 12.314 0.636 -0.679 1.00 41.54 O ATOM 1533 NE2 GLN A 96 10.715 1.742 0.393 1.00 34.34 N ATOM 0 H GLN A 96 12.442 4.774 2.257 1.00 71.12 H new ATOM 0 HA GLN A 96 11.814 2.028 2.563 1.00 70.14 H new ATOM 0 HB2 GLN A 96 14.297 3.510 1.600 1.00 4.42 H new ATOM 0 HB3 GLN A 96 14.146 1.765 1.533 1.00 4.42 H new ATOM 0 HG2 GLN A 96 12.288 3.735 0.148 1.00 41.43 H new ATOM 0 HG3 GLN A 96 13.598 2.867 -0.627 1.00 41.43 H new ATOM 0 HE21 GLN A 96 10.431 2.589 0.886 1.00 34.34 H new ATOM 0 HE22 GLN A 96 10.051 0.978 0.268 1.00 34.34 H new ATOM 1542 N GLY A 97 13.772 3.263 4.815 1.00 70.01 N ATOM 1543 CA GLY A 97 14.400 2.956 6.094 1.00 32.01 C ATOM 1544 C GLY A 97 13.449 2.255 7.058 1.00 12.44 C ATOM 1545 O GLY A 97 13.813 1.265 7.698 1.00 24.45 O ATOM 0 H GLY A 97 13.665 4.259 4.621 1.00 70.01 H new ATOM 0 HA2 GLY A 97 15.272 2.324 5.925 1.00 32.01 H new ATOM 0 HA3 GLY A 97 14.759 3.879 6.550 1.00 32.01 H new ATOM 1549 N LYS A 98 12.219 2.761 7.153 1.00 74.40 N ATOM 1550 CA LYS A 98 11.203 2.177 8.038 1.00 62.31 C ATOM 1551 C LYS A 98 10.483 1.007 7.341 1.00 71.12 C ATOM 1552 O LYS A 98 10.150 0.002 7.973 1.00 4.50 O ATOM 1553 CB LYS A 98 10.192 3.263 8.476 1.00 61.25 C ATOM 1554 CG LYS A 98 9.429 2.951 9.771 1.00 44.30 C ATOM 1555 CD LYS A 98 8.358 1.873 9.590 1.00 23.14 C ATOM 1556 CE LYS A 98 7.731 1.467 10.919 1.00 3.52 C ATOM 1557 NZ LYS A 98 6.687 0.419 10.754 1.00 4.31 N ATOM 0 H LYS A 98 11.899 3.575 6.628 1.00 74.40 H new ATOM 0 HA LYS A 98 11.697 1.785 8.927 1.00 62.31 H new ATOM 0 HB2 LYS A 98 10.725 4.205 8.604 1.00 61.25 H new ATOM 0 HB3 LYS A 98 9.470 3.412 7.673 1.00 61.25 H new ATOM 0 HG2 LYS A 98 10.137 2.627 10.534 1.00 44.30 H new ATOM 0 HG3 LYS A 98 8.959 3.864 10.138 1.00 44.30 H new ATOM 0 HD2 LYS A 98 7.582 2.241 8.920 1.00 23.14 H new ATOM 0 HD3 LYS A 98 8.800 0.998 9.115 1.00 23.14 H new ATOM 0 HE2 LYS A 98 8.509 1.100 11.588 1.00 3.52 H new ATOM 0 HE3 LYS A 98 7.291 2.344 11.393 1.00 3.52 H new ATOM 0 HZ1 LYS A 98 5.756 0.816 10.993 1.00 4.31 H new ATOM 0 HZ2 LYS A 98 6.679 0.089 9.768 1.00 4.31 H new ATOM 0 HZ3 LYS A 98 6.895 -0.381 11.385 1.00 4.31 H new ATOM 1571 N PHE A 99 10.253 1.131 6.033 1.00 21.52 N ATOM 1572 CA PHE A 99 9.554 0.090 5.265 1.00 74.51 C ATOM 1573 C PHE A 99 10.461 -0.539 4.185 1.00 33.42 C ATOM 1574 O PHE A 99 10.263 -0.309 2.991 1.00 40.01 O ATOM 1575 CB PHE A 99 8.299 0.675 4.599 1.00 51.11 C ATOM 1576 CG PHE A 99 7.341 1.339 5.557 1.00 4.32 C ATOM 1577 CD1 PHE A 99 6.456 0.581 6.309 1.00 40.31 C ATOM 1578 CD2 PHE A 99 7.325 2.718 5.702 1.00 44.31 C ATOM 1579 CE1 PHE A 99 5.576 1.185 7.184 1.00 30.31 C ATOM 1580 CE2 PHE A 99 6.445 3.328 6.576 1.00 22.33 C ATOM 1581 CZ PHE A 99 5.569 2.559 7.317 1.00 5.24 C ATOM 0 H PHE A 99 10.539 1.939 5.481 1.00 21.52 H new ATOM 0 HA PHE A 99 9.271 -0.694 5.967 1.00 74.51 H new ATOM 0 HB2 PHE A 99 8.606 1.403 3.848 1.00 51.11 H new ATOM 0 HB3 PHE A 99 7.775 -0.123 4.074 1.00 51.11 H new ATOM 0 HD1 PHE A 99 6.455 -0.494 6.209 1.00 40.31 H new ATOM 0 HD2 PHE A 99 8.009 3.323 5.125 1.00 44.31 H new ATOM 0 HE1 PHE A 99 4.893 0.583 7.765 1.00 30.31 H new ATOM 0 HE2 PHE A 99 6.442 4.403 6.679 1.00 22.33 H new ATOM 0 HZ PHE A 99 4.879 3.032 8.000 1.00 5.24 H new ATOM 1591 N PRO A 100 11.458 -1.361 4.578 1.00 74.12 N ATOM 1592 CA PRO A 100 12.368 -2.005 3.615 1.00 13.42 C ATOM 1593 C PRO A 100 11.660 -3.079 2.775 1.00 30.05 C ATOM 1594 O PRO A 100 12.075 -3.386 1.655 1.00 22.42 O ATOM 1595 CB PRO A 100 13.448 -2.632 4.508 1.00 51.53 C ATOM 1596 CG PRO A 100 12.772 -2.853 5.820 1.00 22.41 C ATOM 1597 CD PRO A 100 11.784 -1.726 5.972 1.00 62.42 C ATOM 0 HA PRO A 100 12.764 -1.297 2.887 1.00 13.42 H new ATOM 0 HB2 PRO A 100 13.814 -3.569 4.088 1.00 51.53 H new ATOM 0 HB3 PRO A 100 14.309 -1.971 4.612 1.00 51.53 H new ATOM 0 HG2 PRO A 100 12.268 -3.819 5.842 1.00 22.41 H new ATOM 0 HG3 PRO A 100 13.494 -2.852 6.636 1.00 22.41 H new ATOM 0 HD2 PRO A 100 10.897 -2.041 6.522 1.00 62.42 H new ATOM 0 HD3 PRO A 100 12.215 -0.886 6.516 1.00 62.42 H new ATOM 1605 N GLU A 101 10.580 -3.634 3.321 1.00 50.33 N ATOM 1606 CA GLU A 101 9.812 -4.687 2.644 1.00 33.34 C ATOM 1607 C GLU A 101 8.808 -4.100 1.634 1.00 61.13 C ATOM 1608 O GLU A 101 8.217 -4.830 0.838 1.00 24.33 O ATOM 1609 CB GLU A 101 9.066 -5.540 3.679 1.00 64.40 C ATOM 1610 CG GLU A 101 9.968 -6.113 4.766 1.00 43.03 C ATOM 1611 CD GLU A 101 9.230 -7.065 5.692 1.00 72.05 C ATOM 1612 OE1 GLU A 101 8.552 -6.591 6.626 1.00 73.23 O ATOM 1613 OE2 GLU A 101 9.322 -8.295 5.485 1.00 23.41 O ATOM 0 H GLU A 101 10.212 -3.373 4.236 1.00 50.33 H new ATOM 0 HA GLU A 101 10.518 -5.309 2.094 1.00 33.34 H new ATOM 0 HB2 GLU A 101 8.290 -4.933 4.146 1.00 64.40 H new ATOM 0 HB3 GLU A 101 8.564 -6.360 3.166 1.00 64.40 H new ATOM 0 HG2 GLU A 101 10.803 -6.637 4.302 1.00 43.03 H new ATOM 0 HG3 GLU A 101 10.390 -5.296 5.351 1.00 43.03 H new ATOM 1620 N VAL A 102 8.619 -2.782 1.677 1.00 40.24 N ATOM 1621 CA VAL A 102 7.681 -2.100 0.774 1.00 20.33 C ATOM 1622 C VAL A 102 8.440 -1.314 -0.308 1.00 4.54 C ATOM 1623 O VAL A 102 9.468 -0.699 -0.032 1.00 21.30 O ATOM 1624 CB VAL A 102 6.750 -1.137 1.559 1.00 33.12 C ATOM 1625 CG1 VAL A 102 5.745 -0.458 0.628 1.00 52.52 C ATOM 1626 CG2 VAL A 102 6.028 -1.877 2.689 1.00 61.33 C ATOM 0 H VAL A 102 9.101 -2.161 2.327 1.00 40.24 H new ATOM 0 HA VAL A 102 7.070 -2.866 0.296 1.00 20.33 H new ATOM 0 HB VAL A 102 7.373 -0.360 2.003 1.00 33.12 H new ATOM 0 HG11 VAL A 102 5.107 0.210 1.206 1.00 52.52 H new ATOM 0 HG12 VAL A 102 6.280 0.116 -0.129 1.00 52.52 H new ATOM 0 HG13 VAL A 102 5.130 -1.215 0.141 1.00 52.52 H new ATOM 0 HG21 VAL A 102 5.382 -1.182 3.225 1.00 61.33 H new ATOM 0 HG22 VAL A 102 5.426 -2.683 2.270 1.00 61.33 H new ATOM 0 HG23 VAL A 102 6.762 -2.294 3.378 1.00 61.33 H new ATOM 1636 N VAL A 103 7.935 -1.332 -1.538 1.00 35.11 N ATOM 1637 CA VAL A 103 8.600 -0.646 -2.654 1.00 41.30 C ATOM 1638 C VAL A 103 7.978 0.735 -2.923 1.00 23.42 C ATOM 1639 O VAL A 103 6.900 0.842 -3.507 1.00 34.23 O ATOM 1640 CB VAL A 103 8.545 -1.499 -3.948 1.00 51.12 C ATOM 1641 CG1 VAL A 103 9.293 -0.810 -5.092 1.00 74.10 C ATOM 1642 CG2 VAL A 103 9.104 -2.898 -3.695 1.00 31.32 C ATOM 0 H VAL A 103 7.071 -1.811 -1.792 1.00 35.11 H new ATOM 0 HA VAL A 103 9.641 -0.507 -2.363 1.00 41.30 H new ATOM 0 HB VAL A 103 7.501 -1.598 -4.244 1.00 51.12 H new ATOM 0 HG11 VAL A 103 9.239 -1.429 -5.987 1.00 74.10 H new ATOM 0 HG12 VAL A 103 8.837 0.159 -5.293 1.00 74.10 H new ATOM 0 HG13 VAL A 103 10.337 -0.669 -4.811 1.00 74.10 H new ATOM 0 HG21 VAL A 103 9.057 -3.481 -4.615 1.00 31.32 H new ATOM 0 HG22 VAL A 103 10.141 -2.822 -3.367 1.00 31.32 H new ATOM 0 HG23 VAL A 103 8.514 -3.391 -2.922 1.00 31.32 H new ATOM 1652 N PHE A 104 8.663 1.793 -2.494 1.00 60.24 N ATOM 1653 CA PHE A 104 8.200 3.165 -2.734 1.00 43.31 C ATOM 1654 C PHE A 104 8.703 3.693 -4.088 1.00 32.44 C ATOM 1655 O PHE A 104 9.907 3.829 -4.306 1.00 12.31 O ATOM 1656 CB PHE A 104 8.655 4.095 -1.597 1.00 30.35 C ATOM 1657 CG PHE A 104 7.867 3.927 -0.320 1.00 72.45 C ATOM 1658 CD1 PHE A 104 7.968 2.767 0.433 1.00 12.21 C ATOM 1659 CD2 PHE A 104 7.031 4.938 0.134 1.00 71.34 C ATOM 1660 CE1 PHE A 104 7.252 2.616 1.605 1.00 53.43 C ATOM 1661 CE2 PHE A 104 6.313 4.790 1.306 1.00 74.13 C ATOM 1662 CZ PHE A 104 6.425 3.629 2.042 1.00 25.14 C ATOM 0 H PHE A 104 9.541 1.730 -1.978 1.00 60.24 H new ATOM 0 HA PHE A 104 7.110 3.149 -2.760 1.00 43.31 H new ATOM 0 HB2 PHE A 104 9.709 3.911 -1.389 1.00 30.35 H new ATOM 0 HB3 PHE A 104 8.572 5.129 -1.931 1.00 30.35 H new ATOM 0 HD1 PHE A 104 8.616 1.970 0.099 1.00 12.21 H new ATOM 0 HD2 PHE A 104 6.940 5.851 -0.435 1.00 71.34 H new ATOM 0 HE1 PHE A 104 7.340 1.705 2.178 1.00 53.43 H new ATOM 0 HE2 PHE A 104 5.664 5.584 1.645 1.00 74.13 H new ATOM 0 HZ PHE A 104 5.866 3.514 2.959 1.00 25.14 H new ATOM 1672 N SER A 105 7.772 3.984 -4.995 1.00 42.33 N ATOM 1673 CA SER A 105 8.119 4.483 -6.332 1.00 45.15 C ATOM 1674 C SER A 105 8.417 5.989 -6.312 1.00 12.10 C ATOM 1675 O SER A 105 7.530 6.809 -6.061 1.00 34.04 O ATOM 1676 CB SER A 105 6.980 4.200 -7.323 1.00 30.55 C ATOM 1677 OG SER A 105 7.294 4.679 -8.622 1.00 21.24 O ATOM 0 H SER A 105 6.770 3.884 -4.832 1.00 42.33 H new ATOM 0 HA SER A 105 9.019 3.958 -6.652 1.00 45.15 H new ATOM 0 HB2 SER A 105 6.790 3.128 -7.365 1.00 30.55 H new ATOM 0 HB3 SER A 105 6.063 4.673 -6.971 1.00 30.55 H new ATOM 0 HG SER A 105 6.552 4.483 -9.231 1.00 21.24 H new