USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 64 THR OG1 : rot 34:sc= 0.427! USER MOD Set 1.2: A 67 SER OG : rot 62:sc= 0.362 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.165 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.356 K(o=-0.36,f=-6.9!) USER MOD Single : A 11 SER OG : rot 145:sc= 1.39 USER MOD Single : A 16 GLN : amide:sc= -3.7! C(o=-3.7!,f=-12!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -8.01! C(o=-8!,f=-13!) USER MOD Single : A 19 THR OG1 : rot -46:sc= 1.13 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 131:sc= -1.52! USER MOD Single : A 30 MET CE :methyl -118:sc= -4.74! (180deg=-10.8!) USER MOD Single : A 31 THR OG1 : rot 62:sc= -2.81! USER MOD Single : A 34 SER OG : rot -170:sc= -1.65 USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= -1.2 (180deg=-3.14!) USER MOD Single : A 38 MET CE :methyl -137:sc= -5.95! (180deg=-10.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.54 K(o=1.5,f=-7.6!) USER MOD Single : A 51 GLN : amide:sc= -4.08! K(o=-4.1!,f=-1.3) USER MOD Single : A 56 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.26) USER MOD Single : A 62 GLN : amide:sc= -1.09! C(o=-1.1!,f=-8.3!) USER MOD Single : A 66 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.1!) USER MOD Single : A 68 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : A 72 GLN : amide:sc= -1.96! K(o=-2!,f=-0.44) USER MOD Single : A 73 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 76 SER OG : rot -67:sc= 1.26 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 92:sc= 0.282 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 86 ASN : amide:sc= -0.89 K(o=-0.89,f=-4.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.760 0.475 -1.268 1.00 3.24 N ATOM 2 CA MET A 1 7.698 0.268 -2.737 1.00 12.54 C ATOM 3 C MET A 1 6.486 -0.612 -3.042 1.00 41.00 C ATOM 4 O MET A 1 5.994 -1.318 -2.158 1.00 41.40 O ATOM 5 CB MET A 1 8.990 -0.413 -3.221 1.00 64.21 C ATOM 6 CG MET A 1 10.073 0.640 -3.487 1.00 31.12 C ATOM 7 SD MET A 1 9.685 1.526 -5.017 1.00 74.30 S ATOM 8 CE MET A 1 10.807 2.925 -4.766 1.00 21.22 C ATOM 0 H1 MET A 1 7.541 1.468 -1.048 1.00 3.24 H new ATOM 0 H2 MET A 1 7.067 -0.144 -0.801 1.00 3.24 H new ATOM 0 H3 MET A 1 8.715 0.247 -0.925 1.00 3.24 H new ATOM 0 HA MET A 1 7.602 1.223 -3.253 1.00 12.54 H new ATOM 0 HB2 MET A 1 9.339 -1.123 -2.471 1.00 64.21 H new ATOM 0 HB3 MET A 1 8.792 -0.981 -4.130 1.00 64.21 H new ATOM 0 HG2 MET A 1 10.129 1.339 -2.653 1.00 31.12 H new ATOM 0 HG3 MET A 1 11.049 0.162 -3.568 1.00 31.12 H new ATOM 0 HE1 MET A 1 10.728 3.611 -5.610 1.00 21.22 H new ATOM 0 HE2 MET A 1 10.538 3.447 -3.848 1.00 21.22 H new ATOM 0 HE3 MET A 1 11.831 2.561 -4.689 1.00 21.22 H new ATOM 20 N PRO A 2 5.982 -0.576 -4.260 1.00 54.43 N ATOM 21 CA PRO A 2 4.778 -1.381 -4.651 1.00 61.14 C ATOM 22 C PRO A 2 4.948 -2.846 -4.304 1.00 54.42 C ATOM 23 O PRO A 2 4.072 -3.444 -3.673 1.00 70.24 O ATOM 24 CB PRO A 2 4.731 -1.214 -6.168 1.00 31.13 C ATOM 25 CG PRO A 2 5.373 0.105 -6.421 1.00 35.04 C ATOM 26 CD PRO A 2 6.486 0.237 -5.384 1.00 21.25 C ATOM 0 HA PRO A 2 3.875 -1.053 -4.136 1.00 61.14 H new ATOM 0 HB2 PRO A 2 5.266 -2.019 -6.672 1.00 31.13 H new ATOM 0 HB3 PRO A 2 3.706 -1.233 -6.537 1.00 31.13 H new ATOM 0 HG2 PRO A 2 5.775 0.156 -7.433 1.00 35.04 H new ATOM 0 HG3 PRO A 2 4.651 0.916 -6.324 1.00 35.04 H new ATOM 0 HD2 PRO A 2 7.437 -0.139 -5.761 1.00 21.25 H new ATOM 0 HD3 PRO A 2 6.647 1.275 -5.093 1.00 21.25 H new ATOM 34 N THR A 3 6.118 -3.382 -4.582 1.00 60.23 N ATOM 35 CA THR A 3 6.418 -4.734 -4.182 1.00 34.02 C ATOM 36 C THR A 3 6.774 -4.729 -2.707 1.00 24.54 C ATOM 37 O THR A 3 7.627 -3.946 -2.273 1.00 23.13 O ATOM 38 CB THR A 3 7.587 -5.285 -5.012 1.00 41.34 C ATOM 39 OG1 THR A 3 7.344 -5.025 -6.392 1.00 64.32 O ATOM 40 CG2 THR A 3 7.711 -6.799 -4.796 1.00 33.11 C ATOM 0 H THR A 3 6.869 -2.904 -5.080 1.00 60.23 H new ATOM 0 HA THR A 3 5.552 -5.374 -4.351 1.00 34.02 H new ATOM 0 HB THR A 3 8.512 -4.801 -4.700 1.00 41.34 H new ATOM 0 HG1 THR A 3 8.088 -5.373 -6.926 1.00 64.32 H new ATOM 0 HG21 THR A 3 8.542 -7.184 -5.387 1.00 33.11 H new ATOM 0 HG22 THR A 3 7.892 -7.002 -3.741 1.00 33.11 H new ATOM 0 HG23 THR A 3 6.788 -7.288 -5.107 1.00 33.11 H new ATOM 48 N GLN A 4 6.083 -5.538 -1.935 1.00 24.52 N ATOM 49 CA GLN A 4 6.306 -5.590 -0.504 1.00 33.21 C ATOM 50 C GLN A 4 7.566 -6.379 -0.201 1.00 75.12 C ATOM 51 O GLN A 4 8.219 -6.895 -1.112 1.00 45.13 O ATOM 52 CB GLN A 4 5.104 -6.237 0.197 1.00 50.20 C ATOM 53 CG GLN A 4 3.855 -5.357 0.018 1.00 63.15 C ATOM 54 CD GLN A 4 3.272 -5.522 -1.386 1.00 61.42 C ATOM 55 OE1 GLN A 4 3.649 -6.447 -2.122 1.00 73.13 O ATOM 56 NE2 GLN A 4 2.376 -4.688 -1.806 1.00 13.31 N ATOM 0 H GLN A 4 5.359 -6.172 -2.274 1.00 24.52 H new ATOM 0 HA GLN A 4 6.426 -4.572 -0.132 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.922 -7.229 -0.216 1.00 50.20 H new ATOM 0 HB3 GLN A 4 5.318 -6.368 1.258 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.105 -5.626 0.762 1.00 63.15 H new ATOM 0 HG3 GLN A 4 4.113 -4.312 0.189 1.00 63.15 H new ATOM 0 HE21 GLN A 4 2.065 -3.927 -1.202 1.00 13.31 H new ATOM 0 HE22 GLN A 4 1.981 -4.792 -2.741 1.00 13.31 H new ATOM 65 N ASP A 5 7.873 -6.512 1.072 1.00 70.34 N ATOM 66 CA ASP A 5 9.002 -7.310 1.504 1.00 52.01 C ATOM 67 C ASP A 5 8.574 -8.754 1.599 1.00 14.04 C ATOM 68 O ASP A 5 7.389 -9.071 1.421 1.00 34.30 O ATOM 69 CB ASP A 5 9.524 -6.832 2.869 1.00 72.04 C ATOM 70 CG ASP A 5 10.441 -5.641 2.693 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.002 -4.657 2.142 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.581 -5.720 3.108 1.00 71.24 O ATOM 0 H ASP A 5 7.352 -6.074 1.832 1.00 70.34 H new ATOM 0 HA ASP A 5 9.808 -7.204 0.778 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.686 -6.563 3.512 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.059 -7.642 3.365 1.00 72.04 H new ATOM 77 N ILE A 6 9.501 -9.613 1.947 1.00 61.21 N ATOM 78 CA ILE A 6 9.203 -11.010 2.131 1.00 73.32 C ATOM 79 C ILE A 6 9.620 -11.429 3.522 1.00 11.45 C ATOM 80 O ILE A 6 10.468 -10.777 4.151 1.00 13.11 O ATOM 81 CB ILE A 6 9.922 -11.863 1.074 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.443 -11.731 1.224 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.522 -11.383 -0.327 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.126 -12.751 0.314 1.00 10.12 C ATOM 0 H ILE A 6 10.477 -9.364 2.109 1.00 61.21 H new ATOM 0 HA ILE A 6 8.131 -11.165 2.013 1.00 73.32 H new ATOM 0 HB ILE A 6 9.635 -12.905 1.214 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.760 -10.722 0.962 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.734 -11.898 2.261 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.031 -11.987 -1.078 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.444 -11.482 -0.452 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.806 -10.338 -0.448 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.208 -12.663 0.416 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.816 -13.757 0.598 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.842 -12.562 -0.721 1.00 10.12 H new ATOM 96 N ARG A 7 9.011 -12.483 4.023 1.00 43.32 N ATOM 97 CA ARG A 7 9.314 -12.934 5.361 1.00 44.44 C ATOM 98 C ARG A 7 10.161 -14.187 5.306 1.00 14.40 C ATOM 99 O ARG A 7 9.774 -15.184 4.681 1.00 73.14 O ATOM 100 CB ARG A 7 8.029 -13.183 6.160 1.00 13.53 C ATOM 101 CG ARG A 7 6.964 -12.140 5.769 1.00 74.33 C ATOM 102 CD ARG A 7 6.150 -11.745 6.999 1.00 62.21 C ATOM 103 NE ARG A 7 6.848 -10.675 7.721 1.00 62.41 N ATOM 104 CZ ARG A 7 6.441 -9.395 7.669 1.00 20.20 C ATOM 105 NH1 ARG A 7 5.382 -9.070 6.977 1.00 41.23 N ATOM 106 NH2 ARG A 7 7.124 -8.477 8.282 1.00 33.44 N ATOM 0 H ARG A 7 8.311 -13.037 3.529 1.00 43.32 H new ATOM 0 HA ARG A 7 9.877 -12.152 5.871 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.656 -14.188 5.964 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.236 -13.123 7.228 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.444 -11.260 5.341 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.306 -12.549 5.002 1.00 74.33 H new ATOM 0 HD2 ARG A 7 5.157 -11.409 6.699 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.012 -12.608 7.650 1.00 62.21 H new ATOM 0 HE ARG A 7 7.668 -10.910 8.280 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.861 -9.788 6.474 1.00 41.23 H new ATOM 0 HH12 ARG A 7 5.076 -8.098 6.940 1.00 41.23 H new ATOM 0 HH21 ARG A 7 7.966 -8.728 8.800 1.00 33.44 H new ATOM 0 HH22 ARG A 7 6.819 -7.504 8.245 1.00 33.44 H new ATOM 120 N LEU A 8 11.315 -14.121 5.934 1.00 14.31 N ATOM 121 CA LEU A 8 12.270 -15.214 5.939 1.00 32.33 C ATOM 122 C LEU A 8 12.349 -15.820 7.316 1.00 71.45 C ATOM 123 O LEU A 8 12.555 -15.105 8.303 1.00 32.14 O ATOM 124 CB LEU A 8 13.656 -14.686 5.522 1.00 51.41 C ATOM 125 CG LEU A 8 14.756 -15.723 5.825 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.555 -16.975 4.971 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.125 -15.115 5.515 1.00 70.54 C ATOM 0 H LEU A 8 11.621 -13.303 6.460 1.00 14.31 H new ATOM 0 HA LEU A 8 11.946 -15.979 5.233 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.655 -14.452 4.457 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.870 -13.758 6.052 1.00 51.41 H new ATOM 0 HG LEU A 8 14.701 -15.999 6.878 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.339 -17.698 5.196 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.582 -17.414 5.192 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.601 -16.707 3.916 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.905 -15.846 5.728 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.169 -14.835 4.463 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.279 -14.230 6.133 1.00 70.54 H new ATOM 139 N TRP A 9 12.246 -17.132 7.390 1.00 31.14 N ATOM 140 CA TRP A 9 12.387 -17.806 8.667 1.00 63.14 C ATOM 141 C TRP A 9 13.826 -18.193 8.847 1.00 61.44 C ATOM 142 O TRP A 9 14.431 -18.764 7.938 1.00 73.50 O ATOM 143 CB TRP A 9 11.556 -19.083 8.713 1.00 41.11 C ATOM 144 CG TRP A 9 10.209 -18.874 8.121 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.523 -17.713 8.097 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.387 -19.851 7.463 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.306 -17.936 7.472 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.185 -19.244 7.059 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.575 -21.205 7.186 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.196 -19.965 6.400 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.598 -21.933 6.522 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.402 -21.315 6.128 1.00 21.20 C ATOM 0 H TRP A 9 12.068 -17.746 6.595 1.00 31.14 H new ATOM 0 HA TRP A 9 12.047 -17.129 9.451 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.074 -19.876 8.173 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.454 -19.416 9.746 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.864 -16.770 8.497 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.591 -17.222 7.335 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.490 -21.691 7.491 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.277 -19.483 6.102 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.759 -22.979 6.308 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.642 -21.885 5.614 1.00 21.20 H new ATOM 163 N VAL A 10 14.364 -17.948 10.011 1.00 73.13 N ATOM 164 CA VAL A 10 15.721 -18.340 10.278 1.00 21.41 C ATOM 165 C VAL A 10 15.788 -19.210 11.515 1.00 54.12 C ATOM 166 O VAL A 10 15.295 -18.829 12.589 1.00 12.11 O ATOM 167 CB VAL A 10 16.618 -17.105 10.430 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.079 -17.533 10.622 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.493 -16.221 9.183 1.00 2.31 C ATOM 0 H VAL A 10 13.888 -17.483 10.784 1.00 73.13 H new ATOM 0 HA VAL A 10 16.086 -18.923 9.432 1.00 21.41 H new ATOM 0 HB VAL A 10 16.300 -16.540 11.306 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.706 -16.648 10.729 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.163 -18.148 11.518 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.407 -18.108 9.756 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.131 -15.344 9.293 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.802 -16.786 8.304 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.457 -15.903 9.065 1.00 2.31 H new ATOM 179 N SER A 11 16.455 -20.336 11.384 1.00 71.44 N ATOM 180 CA SER A 11 16.681 -21.216 12.508 1.00 32.15 C ATOM 181 C SER A 11 17.974 -20.820 13.180 1.00 55.14 C ATOM 182 O SER A 11 19.007 -20.742 12.525 1.00 33.30 O ATOM 183 CB SER A 11 16.784 -22.658 12.029 1.00 73.42 C ATOM 184 OG SER A 11 15.750 -22.921 11.078 1.00 53.13 O ATOM 0 H SER A 11 16.852 -20.665 10.504 1.00 71.44 H new ATOM 0 HA SER A 11 15.850 -21.134 13.209 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.761 -22.833 11.578 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.697 -23.340 12.875 1.00 73.42 H new ATOM 0 HG SER A 11 16.085 -23.536 10.392 1.00 53.13 H new ATOM 190 N VAL A 12 17.920 -20.546 14.457 1.00 44.50 N ATOM 191 CA VAL A 12 19.093 -20.129 15.183 1.00 65.33 C ATOM 192 C VAL A 12 19.601 -21.269 16.052 1.00 31.54 C ATOM 193 O VAL A 12 18.873 -21.775 16.914 1.00 45.10 O ATOM 194 CB VAL A 12 18.761 -18.905 16.038 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.043 -18.321 16.641 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.062 -17.841 15.173 1.00 44.14 C ATOM 0 H VAL A 12 17.071 -20.604 15.020 1.00 44.50 H new ATOM 0 HA VAL A 12 19.878 -19.860 14.477 1.00 65.33 H new ATOM 0 HB VAL A 12 18.095 -19.207 16.846 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.796 -17.450 17.248 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.527 -19.073 17.265 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.720 -18.024 15.840 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.827 -16.971 15.786 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.722 -17.544 14.358 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.141 -18.254 14.762 1.00 44.14 H new ATOM 206 N GLU A 13 20.845 -21.660 15.825 1.00 65.32 N ATOM 207 CA GLU A 13 21.482 -22.729 16.577 1.00 15.40 C ATOM 208 C GLU A 13 22.669 -22.184 17.344 1.00 23.23 C ATOM 209 O GLU A 13 23.465 -21.441 16.794 1.00 42.34 O ATOM 210 CB GLU A 13 21.955 -23.829 15.624 1.00 20.03 C ATOM 211 CG GLU A 13 20.759 -24.674 15.185 1.00 1.01 C ATOM 212 CD GLU A 13 20.596 -25.840 16.130 1.00 64.42 C ATOM 213 OE1 GLU A 13 20.594 -25.614 17.320 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.469 -26.943 15.656 1.00 34.31 O ATOM 0 H GLU A 13 21.443 -21.243 15.112 1.00 65.32 H new ATOM 0 HA GLU A 13 20.758 -23.145 17.278 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.440 -23.387 14.754 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.696 -24.458 16.117 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.854 -24.067 15.179 1.00 1.01 H new ATOM 0 HG3 GLU A 13 20.908 -25.034 14.167 1.00 1.01 H new ATOM 221 N ASP A 14 22.756 -22.516 18.616 1.00 22.33 N ATOM 222 CA ASP A 14 23.828 -22.004 19.463 1.00 31.53 C ATOM 223 C ASP A 14 24.840 -23.084 19.790 1.00 2.03 C ATOM 224 O ASP A 14 24.488 -24.266 19.925 1.00 12.43 O ATOM 225 CB ASP A 14 23.242 -21.448 20.757 1.00 1.42 C ATOM 226 CG ASP A 14 24.229 -20.545 21.481 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.319 -20.986 21.760 1.00 34.20 O ATOM 228 OD2 ASP A 14 23.859 -19.429 21.780 1.00 24.52 O ATOM 0 H ASP A 14 22.101 -23.137 19.091 1.00 22.33 H new ATOM 0 HA ASP A 14 24.339 -21.212 18.915 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.334 -20.889 20.534 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.956 -22.272 21.410 1.00 1.42 H new ATOM 233 N ALA A 15 26.053 -22.652 20.068 1.00 64.23 N ATOM 234 CA ALA A 15 27.093 -23.523 20.587 1.00 62.10 C ATOM 235 C ALA A 15 26.640 -24.071 21.929 1.00 0.30 C ATOM 236 O ALA A 15 26.935 -25.214 22.290 1.00 4.10 O ATOM 237 CB ALA A 15 28.391 -22.725 20.785 1.00 72.21 C ATOM 0 H ALA A 15 26.348 -21.684 19.941 1.00 64.23 H new ATOM 0 HA ALA A 15 27.275 -24.336 19.884 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.167 -23.384 21.174 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.713 -22.310 19.830 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.215 -21.914 21.492 1.00 72.21 H new ATOM 243 N GLN A 16 25.915 -23.239 22.656 1.00 3.31 N ATOM 244 CA GLN A 16 25.395 -23.566 23.979 1.00 70.51 C ATOM 245 C GLN A 16 24.248 -24.577 23.911 1.00 44.44 C ATOM 246 O GLN A 16 23.611 -24.881 24.924 1.00 43.52 O ATOM 247 CB GLN A 16 24.986 -22.287 24.708 1.00 25.04 C ATOM 248 CG GLN A 16 26.251 -21.622 25.289 1.00 60.51 C ATOM 249 CD GLN A 16 26.252 -20.123 25.013 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.578 -19.323 25.900 1.00 42.31 O ATOM 251 NE2 GLN A 16 25.935 -19.689 23.834 1.00 32.13 N ATOM 0 H GLN A 16 25.665 -22.301 22.342 1.00 3.31 H new ATOM 0 HA GLN A 16 26.189 -24.048 24.549 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.482 -21.606 24.022 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.279 -22.516 25.506 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.299 -21.798 26.364 1.00 60.51 H new ATOM 0 HG3 GLN A 16 27.140 -22.077 24.852 1.00 60.51 H new ATOM 0 HE21 GLN A 16 25.666 -20.348 23.103 1.00 32.13 H new ATOM 0 HE22 GLN A 16 25.954 -18.688 23.637 1.00 32.13 H new ATOM 260 N MET A 17 24.083 -25.177 22.741 1.00 5.31 N ATOM 261 CA MET A 17 23.155 -26.287 22.539 1.00 12.12 C ATOM 262 C MET A 17 21.678 -25.912 22.684 1.00 54.32 C ATOM 263 O MET A 17 20.853 -26.764 23.033 1.00 30.13 O ATOM 264 CB MET A 17 23.508 -27.490 23.437 1.00 21.12 C ATOM 265 CG MET A 17 24.834 -28.108 22.977 1.00 2.23 C ATOM 266 SD MET A 17 25.248 -29.520 24.034 1.00 25.23 S ATOM 267 CE MET A 17 26.451 -30.298 22.924 1.00 74.04 C ATOM 0 H MET A 17 24.591 -24.908 21.898 1.00 5.31 H new ATOM 0 HA MET A 17 23.284 -26.575 21.496 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.586 -27.170 24.476 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.714 -28.235 23.392 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.756 -28.429 21.938 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.628 -27.363 23.021 1.00 2.23 H new ATOM 0 HE1 MET A 17 26.841 -31.204 23.387 1.00 74.04 H new ATOM 0 HE2 MET A 17 25.965 -30.552 21.982 1.00 74.04 H new ATOM 0 HE3 MET A 17 27.272 -29.606 22.734 1.00 74.04 H new ATOM 277 N HIS A 18 21.316 -24.705 22.282 1.00 43.51 N ATOM 278 CA HIS A 18 19.900 -24.327 22.207 1.00 22.43 C ATOM 279 C HIS A 18 19.551 -23.839 20.806 1.00 34.12 C ATOM 280 O HIS A 18 20.400 -23.277 20.108 1.00 31.44 O ATOM 281 CB HIS A 18 19.493 -23.298 23.286 1.00 70.50 C ATOM 282 CG HIS A 18 20.504 -22.198 23.379 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.214 -21.942 24.541 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.944 -21.288 22.464 1.00 21.11 C ATOM 285 CE1 HIS A 18 22.041 -20.912 24.292 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.919 -20.478 23.037 1.00 74.45 N ATOM 0 H HIS A 18 21.969 -23.972 22.004 1.00 43.51 H new ATOM 0 HA HIS A 18 19.318 -25.224 22.416 1.00 22.43 H new ATOM 0 HB2 HIS A 18 18.515 -22.880 23.046 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.399 -23.795 24.252 1.00 70.50 H new ATOM 0 HD2 HIS A 18 20.589 -21.208 21.447 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.720 -20.489 25.018 1.00 21.41 H new ATOM 0 HE2 HIS A 18 22.431 -19.716 22.593 1.00 74.45 H new ATOM 295 N THR A 19 18.337 -24.138 20.369 1.00 71.41 N ATOM 296 CA THR A 19 17.900 -23.798 19.020 1.00 41.11 C ATOM 297 C THR A 19 16.679 -22.883 19.084 1.00 2.13 C ATOM 298 O THR A 19 15.685 -23.218 19.743 1.00 64.45 O ATOM 299 CB THR A 19 17.514 -25.080 18.269 1.00 2.14 C ATOM 300 OG1 THR A 19 18.522 -26.074 18.451 1.00 11.24 O ATOM 301 CG2 THR A 19 17.367 -24.777 16.774 1.00 20.53 C ATOM 0 H THR A 19 17.633 -24.617 20.930 1.00 71.41 H new ATOM 0 HA THR A 19 18.714 -23.290 18.503 1.00 41.11 H new ATOM 0 HB THR A 19 16.567 -25.450 18.663 1.00 2.14 H new ATOM 0 HG1 THR A 19 19.405 -25.674 18.310 1.00 11.24 H new ATOM 0 HG21 THR A 19 17.093 -25.689 16.243 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.591 -24.026 16.630 1.00 20.53 H new ATOM 0 HG23 THR A 19 18.313 -24.401 16.384 1.00 20.53 H new ATOM 309 N VAL A 20 16.707 -21.786 18.348 1.00 62.44 N ATOM 310 CA VAL A 20 15.542 -20.905 18.264 1.00 2.05 C ATOM 311 C VAL A 20 15.221 -20.548 16.815 1.00 1.51 C ATOM 312 O VAL A 20 16.051 -20.725 15.926 1.00 15.42 O ATOM 313 CB VAL A 20 15.708 -19.645 19.146 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.407 -20.005 20.602 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.143 -19.103 19.061 1.00 52.53 C ATOM 0 H VAL A 20 17.513 -21.481 17.802 1.00 62.44 H new ATOM 0 HA VAL A 20 14.688 -21.455 18.660 1.00 2.05 H new ATOM 0 HB VAL A 20 15.018 -18.881 18.788 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.523 -19.120 21.227 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.385 -20.374 20.682 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.099 -20.778 20.936 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.235 -18.217 19.689 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.841 -19.866 19.405 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.372 -18.841 18.028 1.00 52.53 H new ATOM 325 N THR A 21 13.998 -20.118 16.575 1.00 63.53 N ATOM 326 CA THR A 21 13.540 -19.810 15.228 1.00 44.25 C ATOM 327 C THR A 21 13.098 -18.359 15.165 1.00 12.41 C ATOM 328 O THR A 21 12.351 -17.908 16.035 1.00 11.33 O ATOM 329 CB THR A 21 12.347 -20.711 14.876 1.00 65.22 C ATOM 330 OG1 THR A 21 12.650 -22.068 15.215 1.00 25.54 O ATOM 331 CG2 THR A 21 12.044 -20.615 13.373 1.00 10.42 C ATOM 0 H THR A 21 13.296 -19.972 17.300 1.00 63.53 H new ATOM 0 HA THR A 21 14.353 -19.980 14.522 1.00 44.25 H new ATOM 0 HB THR A 21 11.475 -20.381 15.441 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.886 -22.640 14.991 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.197 -21.257 13.131 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.803 -19.584 13.116 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.917 -20.937 12.805 1.00 10.42 H new ATOM 339 N ILE A 22 13.548 -17.632 14.154 1.00 41.12 N ATOM 340 CA ILE A 22 13.146 -16.243 14.000 1.00 63.41 C ATOM 341 C ILE A 22 12.612 -15.989 12.594 1.00 15.43 C ATOM 342 O ILE A 22 12.979 -16.689 11.640 1.00 50.41 O ATOM 343 CB ILE A 22 14.315 -15.294 14.322 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.467 -15.530 13.345 1.00 65.05 C ATOM 345 CG2 ILE A 22 14.811 -15.551 15.749 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.562 -14.484 13.582 1.00 75.44 C ATOM 0 H ILE A 22 14.185 -17.976 13.435 1.00 41.12 H new ATOM 0 HA ILE A 22 12.344 -16.041 14.710 1.00 63.41 H new ATOM 0 HB ILE A 22 13.966 -14.265 14.231 1.00 35.34 H new ATOM 0 HG12 ILE A 22 15.872 -16.533 13.480 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.106 -15.467 12.319 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.638 -14.878 15.973 1.00 31.40 H new ATOM 0 HG22 ILE A 22 13.998 -15.375 16.454 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.150 -16.583 15.836 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.383 -14.653 12.885 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.152 -13.486 13.425 1.00 75.44 H new ATOM 0 HD13 ILE A 22 16.931 -14.568 14.604 1.00 75.44 H new ATOM 358 N TRP A 23 11.769 -14.981 12.475 1.00 51.20 N ATOM 359 CA TRP A 23 11.192 -14.594 11.197 1.00 45.54 C ATOM 360 C TRP A 23 11.695 -13.210 10.826 1.00 3.15 C ATOM 361 O TRP A 23 11.557 -12.268 11.613 1.00 71.12 O ATOM 362 CB TRP A 23 9.654 -14.591 11.302 1.00 14.21 C ATOM 363 CG TRP A 23 9.180 -15.971 11.655 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.563 -16.822 10.810 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.281 -16.667 12.928 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.299 -18.001 11.478 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.718 -17.955 12.784 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.808 -16.312 14.180 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.679 -18.856 13.841 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.766 -17.217 15.248 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.206 -18.488 15.074 1.00 12.23 C ATOM 0 H TRP A 23 11.463 -14.406 13.260 1.00 51.20 H new ATOM 0 HA TRP A 23 11.488 -15.305 10.426 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.331 -13.878 12.060 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.214 -14.273 10.357 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.316 -16.615 9.779 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.847 -18.810 11.052 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.248 -15.336 14.320 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.243 -19.835 13.706 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.167 -16.933 16.210 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.183 -19.184 15.899 1.00 12.23 H new ATOM 382 N LEU A 24 12.304 -13.088 9.660 1.00 44.10 N ATOM 383 CA LEU A 24 12.870 -11.814 9.231 1.00 40.20 C ATOM 384 C LEU A 24 12.096 -11.260 8.055 1.00 52.40 C ATOM 385 O LEU A 24 11.815 -11.985 7.096 1.00 21.24 O ATOM 386 CB LEU A 24 14.342 -11.989 8.833 1.00 70.54 C ATOM 387 CG LEU A 24 15.121 -12.639 9.987 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.563 -12.868 9.563 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.114 -11.726 11.210 1.00 21.54 C ATOM 0 H LEU A 24 12.421 -13.851 8.993 1.00 44.10 H new ATOM 0 HA LEU A 24 12.803 -11.116 10.065 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.415 -12.608 7.939 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.779 -11.021 8.587 1.00 70.54 H new ATOM 0 HG LEU A 24 14.645 -13.587 10.236 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.114 -13.329 10.382 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.587 -13.526 8.694 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.023 -11.913 9.308 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.669 -12.199 12.020 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.581 -10.775 10.956 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.086 -11.552 11.528 1.00 21.54 H new ATOM 401 N THR A 25 11.808 -9.971 8.096 1.00 32.11 N ATOM 402 CA THR A 25 11.120 -9.312 7.004 1.00 20.03 C ATOM 403 C THR A 25 12.137 -8.546 6.165 1.00 15.11 C ATOM 404 O THR A 25 12.763 -7.594 6.651 1.00 30.42 O ATOM 405 CB THR A 25 10.075 -8.343 7.571 1.00 11.33 C ATOM 406 OG1 THR A 25 9.351 -8.986 8.630 1.00 74.12 O ATOM 407 CG2 THR A 25 9.101 -7.927 6.462 1.00 51.01 C ATOM 0 H THR A 25 12.042 -9.359 8.878 1.00 32.11 H new ATOM 0 HA THR A 25 10.619 -10.052 6.380 1.00 20.03 H new ATOM 0 HB THR A 25 10.577 -7.457 7.960 1.00 11.33 H new ATOM 0 HG1 THR A 25 9.325 -8.397 9.413 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.360 -7.239 6.868 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.651 -7.436 5.660 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.598 -8.811 6.069 1.00 51.01 H new ATOM 415 N VAL A 26 12.306 -8.955 4.915 1.00 24.42 N ATOM 416 CA VAL A 26 13.274 -8.317 4.028 1.00 0.53 C ATOM 417 C VAL A 26 12.819 -8.408 2.590 1.00 14.44 C ATOM 418 O VAL A 26 11.762 -8.947 2.307 1.00 61.52 O ATOM 419 CB VAL A 26 14.652 -8.988 4.173 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.211 -8.725 5.563 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.524 -10.501 3.964 1.00 64.00 C ATOM 0 H VAL A 26 11.787 -9.724 4.491 1.00 24.42 H new ATOM 0 HA VAL A 26 13.352 -7.267 4.309 1.00 0.53 H new ATOM 0 HB VAL A 26 15.324 -8.572 3.422 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.186 -9.202 5.659 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.316 -7.651 5.716 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.532 -9.133 6.312 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.504 -10.967 4.068 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.844 -10.915 4.709 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.133 -10.699 2.966 1.00 64.00 H new ATOM 431 N ARG A 27 13.699 -8.034 1.686 1.00 33.21 N ATOM 432 CA ARG A 27 13.471 -8.221 0.272 1.00 4.21 C ATOM 433 C ARG A 27 14.600 -9.069 -0.304 1.00 3.32 C ATOM 434 O ARG A 27 15.734 -9.002 0.177 1.00 72.11 O ATOM 435 CB ARG A 27 13.367 -6.866 -0.460 1.00 30.33 C ATOM 436 CG ARG A 27 14.589 -5.979 -0.148 1.00 13.41 C ATOM 437 CD ARG A 27 14.384 -5.200 1.172 1.00 0.42 C ATOM 438 NE ARG A 27 13.011 -4.702 1.292 1.00 5.44 N ATOM 439 CZ ARG A 27 12.599 -3.587 0.682 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.427 -2.909 -0.062 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.374 -3.185 0.824 1.00 23.52 N ATOM 0 H ARG A 27 14.591 -7.593 1.911 1.00 33.21 H new ATOM 0 HA ARG A 27 12.522 -8.737 0.127 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.298 -7.033 -1.535 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.454 -6.354 -0.158 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.483 -6.598 -0.074 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.753 -5.278 -0.967 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.613 -5.848 2.018 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.081 -4.363 1.214 1.00 0.42 H new ATOM 0 HE ARG A 27 12.346 -5.225 1.862 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.388 -3.230 -0.178 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.114 -2.058 -0.528 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.725 -3.720 1.401 1.00 23.52 H new ATOM 0 HH22 ARG A 27 11.059 -2.334 0.358 1.00 23.52 H new ATOM 455 N PRO A 28 14.332 -9.837 -1.327 1.00 70.42 N ATOM 456 CA PRO A 28 15.365 -10.718 -1.961 1.00 2.44 C ATOM 457 C PRO A 28 16.582 -9.909 -2.407 1.00 10.52 C ATOM 458 O PRO A 28 17.689 -10.449 -2.548 1.00 73.22 O ATOM 459 CB PRO A 28 14.633 -11.317 -3.168 1.00 63.31 C ATOM 460 CG PRO A 28 13.185 -11.231 -2.825 1.00 53.01 C ATOM 461 CD PRO A 28 13.027 -9.956 -2.005 1.00 50.41 C ATOM 0 HA PRO A 28 15.751 -11.475 -1.278 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.856 -10.762 -4.079 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.937 -12.349 -3.341 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.571 -11.195 -3.725 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.866 -12.104 -2.256 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.820 -9.092 -2.637 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.207 -10.033 -1.292 1.00 50.41 H new ATOM 469 N ASP A 29 16.362 -8.610 -2.611 1.00 21.24 N ATOM 470 CA ASP A 29 17.411 -7.682 -3.018 1.00 42.34 C ATOM 471 C ASP A 29 18.433 -7.538 -1.918 1.00 22.22 C ATOM 472 O ASP A 29 19.567 -7.097 -2.160 1.00 73.13 O ATOM 473 CB ASP A 29 16.814 -6.302 -3.273 1.00 0.01 C ATOM 474 CG ASP A 29 15.913 -6.321 -4.471 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.401 -6.518 -5.555 1.00 21.43 O ATOM 476 OD2 ASP A 29 14.738 -6.115 -4.292 1.00 43.24 O ATOM 0 H ASP A 29 15.447 -8.173 -2.498 1.00 21.24 H new ATOM 0 HA ASP A 29 17.877 -8.073 -3.922 1.00 42.34 H new ATOM 0 HB2 ASP A 29 16.253 -5.976 -2.397 1.00 0.01 H new ATOM 0 HB3 ASP A 29 17.614 -5.578 -3.426 1.00 0.01 H new ATOM 481 N MET A 30 18.037 -7.883 -0.704 1.00 31.25 N ATOM 482 CA MET A 30 18.944 -7.797 0.418 1.00 25.12 C ATOM 483 C MET A 30 19.970 -8.884 0.345 1.00 64.13 C ATOM 484 O MET A 30 19.874 -9.785 -0.482 1.00 62.13 O ATOM 485 CB MET A 30 18.214 -7.869 1.757 1.00 2.42 C ATOM 486 CG MET A 30 17.558 -6.532 2.055 1.00 11.34 C ATOM 487 SD MET A 30 16.652 -6.651 3.612 1.00 52.43 S ATOM 488 CE MET A 30 18.084 -6.911 4.692 1.00 61.23 C ATOM 0 H MET A 30 17.102 -8.221 -0.476 1.00 31.25 H new ATOM 0 HA MET A 30 19.434 -6.825 0.357 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.461 -8.656 1.730 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.915 -8.126 2.551 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.313 -5.749 2.119 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.881 -6.257 1.246 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.001 -7.883 5.178 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.998 -6.878 4.099 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.115 -6.128 5.450 1.00 61.23 H new ATOM 498 N THR A 31 20.935 -8.809 1.222 1.00 12.23 N ATOM 499 CA THR A 31 21.985 -9.794 1.288 1.00 31.41 C ATOM 500 C THR A 31 22.119 -10.330 2.693 1.00 44.04 C ATOM 501 O THR A 31 21.597 -9.736 3.655 1.00 12.01 O ATOM 502 CB THR A 31 23.316 -9.199 0.827 1.00 25.42 C ATOM 503 OG1 THR A 31 24.345 -10.122 1.087 1.00 20.13 O ATOM 504 CG2 THR A 31 23.601 -7.915 1.592 1.00 40.23 C ATOM 0 H THR A 31 21.017 -8.063 1.913 1.00 12.23 H new ATOM 0 HA THR A 31 21.721 -10.615 0.621 1.00 31.41 H new ATOM 0 HB THR A 31 23.264 -8.982 -0.240 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.182 -10.945 0.580 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.551 -7.496 1.259 1.00 40.23 H new ATOM 0 HG22 THR A 31 22.803 -7.196 1.407 1.00 40.23 H new ATOM 0 HG23 THR A 31 23.654 -8.131 2.659 1.00 40.23 H new ATOM 512 N VAL A 32 22.870 -11.404 2.821 1.00 60.15 N ATOM 513 CA VAL A 32 23.120 -11.992 4.107 1.00 10.31 C ATOM 514 C VAL A 32 23.846 -10.991 4.985 1.00 54.12 C ATOM 515 O VAL A 32 23.485 -10.800 6.142 1.00 54.33 O ATOM 516 CB VAL A 32 23.938 -13.282 3.961 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.170 -13.916 5.337 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.185 -14.265 3.062 1.00 24.05 C ATOM 0 H VAL A 32 23.317 -11.885 2.041 1.00 60.15 H new ATOM 0 HA VAL A 32 22.170 -12.252 4.574 1.00 10.31 H new ATOM 0 HB VAL A 32 24.903 -13.044 3.513 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.751 -14.831 5.223 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.714 -13.217 5.972 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.210 -14.151 5.796 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.766 -15.181 2.958 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.217 -14.497 3.507 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.034 -13.818 2.080 1.00 24.05 H new ATOM 528 N ALA A 33 24.847 -10.332 4.429 1.00 53.45 N ATOM 529 CA ALA A 33 25.598 -9.353 5.196 1.00 55.04 C ATOM 530 C ALA A 33 24.666 -8.321 5.808 1.00 52.23 C ATOM 531 O ALA A 33 24.704 -8.075 7.021 1.00 54.14 O ATOM 532 CB ALA A 33 26.655 -8.668 4.323 1.00 50.32 C ATOM 0 H ALA A 33 25.156 -10.453 3.464 1.00 53.45 H new ATOM 0 HA ALA A 33 26.110 -9.878 6.003 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.204 -7.940 4.920 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.347 -9.416 3.936 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.167 -8.161 3.491 1.00 50.32 H new ATOM 538 N SER A 34 23.798 -7.760 4.988 1.00 20.42 N ATOM 539 CA SER A 34 22.817 -6.798 5.470 1.00 42.23 C ATOM 540 C SER A 34 21.852 -7.479 6.442 1.00 51.41 C ATOM 541 O SER A 34 21.521 -6.939 7.504 1.00 74.05 O ATOM 542 CB SER A 34 22.028 -6.236 4.293 1.00 22.13 C ATOM 543 OG SER A 34 22.930 -5.829 3.261 1.00 22.31 O ATOM 0 H SER A 34 23.749 -7.951 3.987 1.00 20.42 H new ATOM 0 HA SER A 34 23.338 -5.989 5.983 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.339 -6.989 3.911 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.425 -5.388 4.618 1.00 22.13 H new ATOM 0 HG SER A 34 22.439 -5.327 2.577 1.00 22.31 H new ATOM 549 N LEU A 35 21.404 -8.671 6.056 1.00 42.51 N ATOM 550 CA LEU A 35 20.460 -9.453 6.848 1.00 60.21 C ATOM 551 C LEU A 35 21.059 -9.851 8.190 1.00 12.50 C ATOM 552 O LEU A 35 20.412 -9.738 9.235 1.00 51.11 O ATOM 553 CB LEU A 35 20.028 -10.694 6.058 1.00 20.44 C ATOM 554 CG LEU A 35 19.061 -11.549 6.884 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.850 -10.718 7.300 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.589 -12.724 6.034 1.00 72.44 C ATOM 0 H LEU A 35 21.686 -9.122 5.185 1.00 42.51 H new ATOM 0 HA LEU A 35 19.585 -8.836 7.052 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.549 -10.391 5.127 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.904 -11.284 5.789 1.00 20.44 H new ATOM 0 HG LEU A 35 19.572 -11.909 7.777 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.169 -11.335 7.886 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.180 -9.870 7.900 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.335 -10.355 6.411 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.900 -13.339 6.613 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.081 -12.349 5.145 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.448 -13.325 5.735 1.00 72.44 H new ATOM 568 N LYS A 36 22.303 -10.274 8.156 1.00 34.21 N ATOM 569 CA LYS A 36 23.017 -10.695 9.329 1.00 44.21 C ATOM 570 C LYS A 36 23.021 -9.549 10.320 1.00 31.00 C ATOM 571 O LYS A 36 22.820 -9.736 11.532 1.00 33.33 O ATOM 572 CB LYS A 36 24.455 -10.987 8.898 1.00 43.15 C ATOM 573 CG LYS A 36 25.261 -11.620 10.026 1.00 4.03 C ATOM 574 CD LYS A 36 26.737 -11.237 9.872 1.00 65.42 C ATOM 575 CE LYS A 36 27.217 -11.378 8.415 1.00 65.21 C ATOM 576 NZ LYS A 36 26.755 -12.663 7.822 1.00 35.45 N ATOM 0 H LYS A 36 22.850 -10.334 7.297 1.00 34.21 H new ATOM 0 HA LYS A 36 22.561 -11.574 9.784 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.449 -11.654 8.036 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.936 -10.061 8.582 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.885 -11.282 10.991 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.151 -12.704 10.003 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.882 -10.209 10.204 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.346 -11.870 10.518 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.841 -10.544 7.822 1.00 65.21 H new ATOM 0 HE3 LYS A 36 28.305 -11.328 8.381 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 26.414 -12.496 6.854 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 27.545 -13.338 7.798 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 25.983 -13.054 8.399 1.00 35.45 H new ATOM 590 N ASP A 37 23.271 -8.365 9.796 1.00 21.40 N ATOM 591 CA ASP A 37 23.333 -7.169 10.604 1.00 31.33 C ATOM 592 C ASP A 37 22.001 -6.871 11.286 1.00 3.04 C ATOM 593 O ASP A 37 21.958 -6.681 12.497 1.00 73.14 O ATOM 594 CB ASP A 37 23.764 -5.981 9.752 1.00 1.34 C ATOM 595 CG ASP A 37 24.007 -4.772 10.625 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.869 -4.843 11.475 1.00 52.50 O ATOM 597 OD2 ASP A 37 23.346 -3.784 10.420 1.00 11.04 O ATOM 0 H ASP A 37 23.436 -8.208 8.802 1.00 21.40 H new ATOM 0 HA ASP A 37 24.072 -7.340 11.387 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.672 -6.229 9.202 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.995 -5.756 9.013 1.00 1.34 H new ATOM 602 N MET A 38 20.896 -6.896 10.534 1.00 34.44 N ATOM 603 CA MET A 38 19.601 -6.580 11.151 1.00 41.13 C ATOM 604 C MET A 38 19.329 -7.552 12.259 1.00 34.34 C ATOM 605 O MET A 38 18.852 -7.173 13.320 1.00 71.22 O ATOM 606 CB MET A 38 18.419 -6.609 10.177 1.00 41.21 C ATOM 607 CG MET A 38 18.871 -6.748 8.731 1.00 23.15 C ATOM 608 SD MET A 38 17.398 -6.786 7.667 1.00 32.15 S ATOM 609 CE MET A 38 16.505 -8.122 8.521 1.00 74.35 C ATOM 0 H MET A 38 20.867 -7.121 9.540 1.00 34.44 H new ATOM 0 HA MET A 38 19.684 -5.557 11.518 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.760 -7.439 10.432 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.836 -5.695 10.288 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.517 -5.915 8.454 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.455 -7.660 8.603 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.074 -8.800 7.785 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.196 -8.672 9.160 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.709 -7.695 9.131 1.00 74.35 H new ATOM 619 N VAL A 39 19.684 -8.801 12.027 1.00 14.41 N ATOM 620 CA VAL A 39 19.536 -9.817 13.041 1.00 25.32 C ATOM 621 C VAL A 39 20.367 -9.415 14.252 1.00 51.44 C ATOM 622 O VAL A 39 19.881 -9.424 15.386 1.00 21.33 O ATOM 623 CB VAL A 39 19.962 -11.193 12.490 1.00 31.13 C ATOM 624 CG1 VAL A 39 19.924 -12.257 13.598 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.001 -11.602 11.361 1.00 65.31 C ATOM 0 H VAL A 39 20.076 -9.132 11.146 1.00 14.41 H new ATOM 0 HA VAL A 39 18.491 -9.903 13.340 1.00 25.32 H new ATOM 0 HB VAL A 39 20.981 -11.120 12.111 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.228 -13.220 13.188 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.606 -11.972 14.399 1.00 41.14 H new ATOM 0 HG13 VAL A 39 18.911 -12.334 13.994 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.296 -12.574 10.966 1.00 65.31 H new ATOM 0 HG22 VAL A 39 17.985 -11.662 11.752 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.040 -10.860 10.564 1.00 65.31 H new ATOM 635 N PHE A 40 21.571 -8.930 13.995 1.00 3.12 N ATOM 636 CA PHE A 40 22.383 -8.375 15.059 1.00 33.42 C ATOM 637 C PHE A 40 21.675 -7.188 15.686 1.00 2.10 C ATOM 638 O PHE A 40 21.574 -7.084 16.915 1.00 42.22 O ATOM 639 CB PHE A 40 23.760 -7.960 14.527 1.00 31.43 C ATOM 640 CG PHE A 40 24.521 -7.190 15.586 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.876 -7.804 16.787 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.863 -5.854 15.357 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.578 -7.087 17.758 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.564 -5.137 16.328 1.00 33.14 C ATOM 645 CZ PHE A 40 25.924 -5.751 17.527 1.00 34.32 C ATOM 0 H PHE A 40 22.001 -8.910 13.070 1.00 3.12 H new ATOM 0 HA PHE A 40 22.530 -9.140 15.822 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.326 -8.844 14.233 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.643 -7.346 13.634 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.608 -8.835 16.966 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.585 -5.377 14.429 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.854 -7.563 18.687 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.828 -4.105 16.150 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.469 -5.196 18.276 1.00 34.32 H new ATOM 655 N LEU A 41 21.160 -6.303 14.849 1.00 22.50 N ATOM 656 CA LEU A 41 20.479 -5.126 15.356 1.00 60.20 C ATOM 657 C LEU A 41 19.269 -5.568 16.142 1.00 62.30 C ATOM 658 O LEU A 41 18.942 -5.005 17.178 1.00 2.04 O ATOM 659 CB LEU A 41 19.951 -4.276 14.191 1.00 64.43 C ATOM 660 CG LEU A 41 21.088 -3.811 13.298 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.533 -2.978 12.140 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.107 -3.014 14.093 1.00 2.24 C ATOM 0 H LEU A 41 21.199 -6.375 13.832 1.00 22.50 H new ATOM 0 HA LEU A 41 21.180 -4.555 15.965 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.238 -4.857 13.606 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.413 -3.412 14.581 1.00 64.43 H new ATOM 0 HG LEU A 41 21.593 -4.687 12.890 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.354 -2.648 11.503 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.841 -3.584 11.555 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.008 -2.109 12.536 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.912 -2.691 13.433 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.624 -2.140 14.530 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.517 -3.638 14.887 1.00 2.24 H new ATOM 674 N ASP A 42 18.555 -6.518 15.574 1.00 3.40 N ATOM 675 CA ASP A 42 17.280 -6.966 16.132 1.00 20.53 C ATOM 676 C ASP A 42 17.459 -7.846 17.359 1.00 55.41 C ATOM 677 O ASP A 42 16.695 -7.735 18.324 1.00 3.34 O ATOM 678 CB ASP A 42 16.447 -7.711 15.069 1.00 22.22 C ATOM 679 CG ASP A 42 14.968 -7.680 15.432 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.464 -6.602 15.670 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.351 -8.723 15.448 1.00 72.43 O ATOM 0 H ASP A 42 18.832 -7.002 14.720 1.00 3.40 H new ATOM 0 HA ASP A 42 16.746 -6.069 16.445 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.598 -7.251 14.092 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.787 -8.744 14.990 1.00 22.22 H new ATOM 686 N TYR A 43 18.379 -8.805 17.269 1.00 32.23 N ATOM 687 CA TYR A 43 18.539 -9.803 18.332 1.00 3.43 C ATOM 688 C TYR A 43 19.849 -9.638 19.084 1.00 54.44 C ATOM 689 O TYR A 43 20.164 -10.433 19.972 1.00 52.22 O ATOM 690 CB TYR A 43 18.475 -11.217 17.739 1.00 12.45 C ATOM 691 CG TYR A 43 17.170 -11.401 17.009 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.006 -11.705 17.718 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.127 -11.252 15.623 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.799 -11.860 17.037 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.922 -11.404 14.943 1.00 50.22 C ATOM 696 CZ TYR A 43 14.759 -11.708 15.649 1.00 33.42 C ATOM 697 OH TYR A 43 13.570 -11.840 14.976 1.00 11.32 O ATOM 0 H TYR A 43 19.019 -8.914 16.482 1.00 32.23 H new ATOM 0 HA TYR A 43 17.723 -9.651 19.039 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.310 -11.374 17.056 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.567 -11.959 18.532 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.040 -11.820 18.791 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.029 -11.019 15.077 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.897 -12.097 17.582 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.888 -11.287 13.870 1.00 50.22 H new ATOM 0 HH TYR A 43 13.720 -11.703 14.017 1.00 11.32 H new ATOM 707 N GLY A 44 20.659 -8.676 18.680 1.00 13.32 N ATOM 708 CA GLY A 44 21.960 -8.505 19.304 1.00 51.52 C ATOM 709 C GLY A 44 22.824 -9.711 19.018 1.00 41.34 C ATOM 710 O GLY A 44 23.641 -10.099 19.839 1.00 41.15 O ATOM 0 H GLY A 44 20.445 -8.012 17.936 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.440 -7.603 18.925 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.844 -8.376 20.380 1.00 51.52 H new ATOM 714 N PHE A 45 22.568 -10.355 17.885 1.00 73.22 N ATOM 715 CA PHE A 45 23.292 -11.561 17.487 1.00 0.40 C ATOM 716 C PHE A 45 24.635 -11.185 16.870 1.00 12.32 C ATOM 717 O PHE A 45 24.687 -10.823 15.695 1.00 44.25 O ATOM 718 CB PHE A 45 22.471 -12.349 16.452 1.00 13.01 C ATOM 719 CG PHE A 45 21.382 -13.175 17.119 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.044 -12.972 18.469 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.712 -14.155 16.378 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.043 -13.747 19.063 1.00 2.11 C ATOM 723 CE2 PHE A 45 19.714 -14.925 16.973 1.00 74.25 C ATOM 724 CZ PHE A 45 19.379 -14.722 18.316 1.00 11.12 C ATOM 0 H PHE A 45 21.856 -10.059 17.217 1.00 73.22 H new ATOM 0 HA PHE A 45 23.455 -12.176 18.372 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.020 -11.657 15.740 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.131 -13.005 15.885 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.557 -12.218 19.047 1.00 31.22 H new ATOM 0 HD2 PHE A 45 20.969 -14.315 15.341 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.783 -13.591 20.100 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.199 -15.679 16.397 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.606 -15.320 18.775 1.00 11.12 H new ATOM 734 N PRO A 46 25.705 -11.196 17.635 1.00 33.44 N ATOM 735 CA PRO A 46 27.047 -10.795 17.140 1.00 1.25 C ATOM 736 C PRO A 46 27.309 -11.312 15.722 1.00 72.23 C ATOM 737 O PRO A 46 27.298 -12.529 15.484 1.00 63.41 O ATOM 738 CB PRO A 46 28.019 -11.445 18.143 1.00 45.41 C ATOM 739 CG PRO A 46 27.167 -12.156 19.165 1.00 3.22 C ATOM 740 CD PRO A 46 25.764 -11.583 19.046 1.00 61.54 C ATOM 0 HA PRO A 46 27.154 -9.712 17.078 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.686 -12.145 17.639 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.647 -10.692 18.618 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.162 -13.231 18.983 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.562 -12.005 20.170 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.001 -12.319 19.298 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.615 -10.730 19.708 1.00 61.54 H new ATOM 748 N PRO A 47 27.569 -10.431 14.783 1.00 24.43 N ATOM 749 CA PRO A 47 27.814 -10.830 13.365 1.00 3.35 C ATOM 750 C PRO A 47 29.006 -11.762 13.250 1.00 32.23 C ATOM 751 O PRO A 47 29.019 -12.670 12.414 1.00 60.40 O ATOM 752 CB PRO A 47 28.080 -9.497 12.649 1.00 22.12 C ATOM 753 CG PRO A 47 28.471 -8.545 13.736 1.00 61.03 C ATOM 754 CD PRO A 47 27.665 -8.967 14.961 1.00 72.21 C ATOM 0 HA PRO A 47 26.976 -11.379 12.935 1.00 3.35 H new ATOM 0 HB2 PRO A 47 28.873 -9.598 11.909 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.193 -9.149 12.120 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.542 -8.595 13.935 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.247 -7.516 13.455 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.169 -8.702 15.891 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.683 -8.495 14.985 1.00 72.21 H new ATOM 762 N VAL A 48 29.956 -11.599 14.151 1.00 2.22 N ATOM 763 CA VAL A 48 31.085 -12.501 14.213 1.00 3.34 C ATOM 764 C VAL A 48 30.611 -13.905 14.560 1.00 13.44 C ATOM 765 O VAL A 48 31.025 -14.889 13.939 1.00 24.32 O ATOM 766 CB VAL A 48 32.128 -12.001 15.238 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.446 -11.609 16.559 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.149 -13.113 15.515 1.00 41.53 C ATOM 0 H VAL A 48 29.967 -10.853 14.846 1.00 2.22 H new ATOM 0 HA VAL A 48 31.566 -12.529 13.235 1.00 3.34 H new ATOM 0 HB VAL A 48 32.628 -11.126 14.823 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.198 -11.260 17.267 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.724 -10.813 16.374 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.932 -12.476 16.974 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.884 -12.760 16.238 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.636 -13.987 15.917 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.653 -13.383 14.587 1.00 41.53 H new ATOM 778 N LEU A 49 29.716 -13.986 15.531 1.00 54.44 N ATOM 779 CA LEU A 49 29.159 -15.256 15.957 1.00 52.43 C ATOM 780 C LEU A 49 28.223 -15.823 14.920 1.00 2.01 C ATOM 781 O LEU A 49 28.109 -17.035 14.783 1.00 62.52 O ATOM 782 CB LEU A 49 28.422 -15.116 17.288 1.00 62.41 C ATOM 783 CG LEU A 49 29.415 -15.226 18.456 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.016 -13.865 18.789 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.697 -15.793 19.676 1.00 21.42 C ATOM 0 H LEU A 49 29.358 -13.179 16.042 1.00 54.44 H new ATOM 0 HA LEU A 49 29.995 -15.943 16.085 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.907 -14.156 17.328 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.660 -15.891 17.374 1.00 62.41 H new ATOM 0 HG LEU A 49 30.227 -15.892 18.165 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.715 -13.969 19.619 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.542 -13.477 17.917 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.220 -13.175 19.070 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.398 -15.872 20.507 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.877 -15.132 19.956 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.302 -16.781 19.439 1.00 21.42 H new ATOM 797 N GLN A 50 27.469 -14.958 14.271 1.00 62.55 N ATOM 798 CA GLN A 50 26.467 -15.427 13.339 1.00 24.52 C ATOM 799 C GLN A 50 27.077 -16.280 12.244 1.00 43.40 C ATOM 800 O GLN A 50 27.681 -15.754 11.304 1.00 65.42 O ATOM 801 CB GLN A 50 25.699 -14.265 12.695 1.00 53.50 C ATOM 802 CG GLN A 50 24.759 -13.596 13.702 1.00 42.03 C ATOM 803 CD GLN A 50 23.920 -12.551 12.974 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.356 -12.846 11.916 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.805 -11.353 13.458 1.00 23.53 N ATOM 0 H GLN A 50 27.529 -13.945 14.370 1.00 62.55 H new ATOM 0 HA GLN A 50 25.772 -16.033 13.920 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.404 -13.530 12.308 1.00 53.50 H new ATOM 0 HB3 GLN A 50 25.124 -14.633 11.845 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.113 -14.341 14.167 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.334 -13.128 14.501 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.271 -11.109 14.332 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.249 -10.655 12.965 1.00 23.53 H new ATOM 814 N GLN A 51 26.750 -17.557 12.263 1.00 50.00 N ATOM 815 CA GLN A 51 27.065 -18.439 11.162 1.00 5.12 C ATOM 816 C GLN A 51 25.787 -18.699 10.397 1.00 24.14 C ATOM 817 O GLN A 51 24.859 -19.311 10.927 1.00 52.33 O ATOM 818 CB GLN A 51 27.630 -19.764 11.669 1.00 32.34 C ATOM 819 CG GLN A 51 29.035 -19.564 12.241 1.00 40.52 C ATOM 820 CD GLN A 51 29.641 -20.921 12.587 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.224 -21.576 11.723 1.00 2.14 O ATOM 822 NE2 GLN A 51 29.529 -21.396 13.793 1.00 64.45 N ATOM 0 H GLN A 51 26.262 -18.008 13.037 1.00 50.00 H new ATOM 0 HA GLN A 51 27.817 -17.973 10.525 1.00 5.12 H new ATOM 0 HB2 GLN A 51 26.974 -20.176 12.436 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.662 -20.488 10.855 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.664 -19.047 11.516 1.00 40.52 H new ATOM 0 HG3 GLN A 51 28.991 -18.936 13.131 1.00 40.52 H new ATOM 0 HE21 GLN A 51 29.047 -20.856 14.511 1.00 64.45 H new ATOM 0 HE22 GLN A 51 29.924 -22.309 14.020 1.00 64.45 H new ATOM 831 N TRP A 52 25.697 -18.155 9.201 1.00 42.04 N ATOM 832 CA TRP A 52 24.476 -18.249 8.418 1.00 31.04 C ATOM 833 C TRP A 52 24.560 -19.425 7.466 1.00 72.42 C ATOM 834 O TRP A 52 25.579 -19.614 6.800 1.00 1.43 O ATOM 835 CB TRP A 52 24.277 -16.948 7.628 1.00 75.43 C ATOM 836 CG TRP A 52 23.567 -15.937 8.479 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.142 -15.197 9.459 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.175 -15.534 8.428 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.177 -14.375 10.019 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.951 -14.547 9.417 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.090 -15.932 7.631 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.698 -13.972 9.601 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.826 -15.355 7.815 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.634 -14.379 8.801 1.00 64.43 C ATOM 0 H TRP A 52 26.453 -17.642 8.747 1.00 42.04 H new ATOM 0 HA TRP A 52 23.628 -18.400 9.087 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.242 -16.554 7.310 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.700 -17.146 6.725 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.180 -15.241 9.754 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.353 -13.723 10.783 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.230 -16.687 6.872 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.552 -13.216 10.358 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.998 -15.664 7.195 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.657 -13.941 8.941 1.00 64.43 H new ATOM 855 N VAL A 53 23.502 -20.220 7.413 1.00 64.50 N ATOM 856 CA VAL A 53 23.462 -21.385 6.549 1.00 13.22 C ATOM 857 C VAL A 53 22.235 -21.331 5.638 1.00 24.40 C ATOM 858 O VAL A 53 21.087 -21.261 6.106 1.00 52.11 O ATOM 859 CB VAL A 53 23.452 -22.662 7.411 1.00 15.40 C ATOM 860 CG1 VAL A 53 23.179 -23.903 6.552 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.807 -22.815 8.108 1.00 70.32 C ATOM 0 H VAL A 53 22.655 -20.076 7.963 1.00 64.50 H new ATOM 0 HA VAL A 53 24.348 -21.396 5.915 1.00 13.22 H new ATOM 0 HB VAL A 53 22.657 -22.573 8.151 1.00 15.40 H new ATOM 0 HG11 VAL A 53 23.177 -24.790 7.185 1.00 70.32 H new ATOM 0 HG12 VAL A 53 22.209 -23.802 6.065 1.00 70.32 H new ATOM 0 HG13 VAL A 53 23.957 -23.999 5.794 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.802 -23.718 8.719 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.595 -22.888 7.359 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.989 -21.948 8.743 1.00 70.32 H new ATOM 871 N ILE A 54 22.493 -21.410 4.347 1.00 31.32 N ATOM 872 CA ILE A 54 21.465 -21.453 3.319 1.00 2.42 C ATOM 873 C ILE A 54 21.881 -22.466 2.263 1.00 55.44 C ATOM 874 O ILE A 54 23.028 -22.447 1.813 1.00 64.42 O ATOM 875 CB ILE A 54 21.275 -20.059 2.681 1.00 61.22 C ATOM 876 CG1 ILE A 54 20.787 -19.060 3.742 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.248 -20.126 1.544 1.00 73.52 C ATOM 878 CD1 ILE A 54 20.810 -17.644 3.162 1.00 33.44 C ATOM 0 H ILE A 54 23.441 -21.447 3.973 1.00 31.32 H new ATOM 0 HA ILE A 54 20.514 -21.748 3.763 1.00 2.42 H new ATOM 0 HB ILE A 54 22.234 -19.731 2.279 1.00 61.22 H new ATOM 0 HG12 ILE A 54 19.777 -19.317 4.061 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.423 -19.112 4.626 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.126 -19.136 1.105 1.00 73.52 H new ATOM 0 HG22 ILE A 54 20.596 -20.821 0.780 1.00 73.52 H new ATOM 0 HG23 ILE A 54 19.291 -20.469 1.938 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.464 -16.937 3.915 1.00 33.44 H new ATOM 0 HD12 ILE A 54 21.827 -17.389 2.865 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.155 -17.597 2.292 1.00 33.44 H new ATOM 890 N GLY A 55 20.981 -23.340 1.865 1.00 44.24 N ATOM 891 CA GLY A 55 21.319 -24.347 0.863 1.00 72.21 C ATOM 892 C GLY A 55 22.031 -23.698 -0.317 1.00 2.10 C ATOM 893 O GLY A 55 22.998 -24.246 -0.847 1.00 62.13 O ATOM 0 H GLY A 55 20.022 -23.380 2.209 1.00 44.24 H new ATOM 0 HA2 GLY A 55 21.957 -25.111 1.306 1.00 72.21 H new ATOM 0 HA3 GLY A 55 20.413 -24.847 0.520 1.00 72.21 H new ATOM 897 N GLN A 56 21.589 -22.498 -0.679 1.00 71.41 N ATOM 898 CA GLN A 56 22.206 -21.731 -1.759 1.00 61.53 C ATOM 899 C GLN A 56 23.185 -20.686 -1.207 1.00 71.41 C ATOM 900 O GLN A 56 23.387 -19.621 -1.811 1.00 14.44 O ATOM 901 CB GLN A 56 21.137 -21.049 -2.616 1.00 1.42 C ATOM 902 CG GLN A 56 20.024 -22.048 -2.948 1.00 54.32 C ATOM 903 CD GLN A 56 20.590 -23.278 -3.648 1.00 14.01 C ATOM 904 OE1 GLN A 56 20.034 -24.370 -3.529 1.00 34.33 O ATOM 905 NE2 GLN A 56 21.663 -23.174 -4.366 1.00 5.11 N ATOM 0 H GLN A 56 20.798 -22.031 -0.236 1.00 71.41 H new ATOM 0 HA GLN A 56 22.765 -22.428 -2.383 1.00 61.53 H new ATOM 0 HB2 GLN A 56 20.723 -20.193 -2.084 1.00 1.42 H new ATOM 0 HB3 GLN A 56 21.583 -20.668 -3.535 1.00 1.42 H new ATOM 0 HG2 GLN A 56 19.514 -22.348 -2.033 1.00 54.32 H new ATOM 0 HG3 GLN A 56 19.280 -21.571 -3.586 1.00 54.32 H new ATOM 0 HE21 GLN A 56 22.125 -22.270 -4.465 1.00 5.11 H new ATOM 0 HE22 GLN A 56 22.046 -23.996 -4.832 1.00 5.11 H new ATOM 914 N ARG A 57 23.720 -20.939 -0.024 1.00 54.23 N ATOM 915 CA ARG A 57 24.655 -20.002 0.596 1.00 14.45 C ATOM 916 C ARG A 57 25.958 -19.982 -0.181 1.00 42.21 C ATOM 917 O ARG A 57 26.503 -21.031 -0.502 1.00 54.43 O ATOM 918 CB ARG A 57 24.985 -20.396 2.044 1.00 41.54 C ATOM 919 CG ARG A 57 25.877 -19.305 2.670 1.00 32.25 C ATOM 920 CD ARG A 57 26.323 -19.725 4.068 1.00 32.13 C ATOM 921 NE ARG A 57 27.271 -20.839 3.981 1.00 22.13 N ATOM 922 CZ ARG A 57 27.763 -21.439 5.070 1.00 2.30 C ATOM 923 NH1 ARG A 57 27.364 -21.072 6.253 1.00 74.12 N ATOM 924 NH2 ARG A 57 28.630 -22.401 4.945 1.00 71.11 N ATOM 0 H ARG A 57 23.528 -21.776 0.526 1.00 54.23 H new ATOM 0 HA ARG A 57 24.175 -19.023 0.589 1.00 14.45 H new ATOM 0 HB2 ARG A 57 24.068 -20.510 2.622 1.00 41.54 H new ATOM 0 HB3 ARG A 57 25.496 -21.358 2.065 1.00 41.54 H new ATOM 0 HG2 ARG A 57 26.749 -19.132 2.039 1.00 32.25 H new ATOM 0 HG3 ARG A 57 25.330 -18.364 2.723 1.00 32.25 H new ATOM 0 HD2 ARG A 57 26.787 -18.881 4.579 1.00 32.13 H new ATOM 0 HD3 ARG A 57 25.457 -20.020 4.661 1.00 32.13 H new ATOM 0 HE ARG A 57 27.565 -21.167 3.061 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.675 -20.326 6.350 1.00 74.12 H new ATOM 0 HH12 ARG A 57 27.740 -21.530 7.083 1.00 74.12 H new ATOM 0 HH21 ARG A 57 28.934 -22.697 4.017 1.00 71.11 H new ATOM 0 HH22 ARG A 57 29.006 -22.860 5.775 1.00 71.11 H new ATOM 938 N LEU A 58 26.543 -18.814 -0.289 1.00 65.05 N ATOM 939 CA LEU A 58 27.893 -18.684 -0.802 1.00 31.53 C ATOM 940 C LEU A 58 28.734 -18.063 0.283 1.00 54.55 C ATOM 941 O LEU A 58 28.217 -17.294 1.094 1.00 13.21 O ATOM 942 CB LEU A 58 27.951 -17.802 -2.051 1.00 52.33 C ATOM 943 CG LEU A 58 29.363 -17.865 -2.652 1.00 32.24 C ATOM 944 CD1 LEU A 58 29.635 -19.272 -3.195 1.00 61.12 C ATOM 945 CD2 LEU A 58 29.484 -16.858 -3.785 1.00 55.40 C ATOM 0 H LEU A 58 26.105 -17.931 -0.027 1.00 65.05 H new ATOM 0 HA LEU A 58 28.261 -19.670 -1.085 1.00 31.53 H new ATOM 0 HB2 LEU A 58 27.217 -18.139 -2.783 1.00 52.33 H new ATOM 0 HB3 LEU A 58 27.698 -16.773 -1.796 1.00 52.33 H new ATOM 0 HG LEU A 58 30.090 -17.629 -1.875 1.00 32.24 H new ATOM 0 HD11 LEU A 58 30.638 -19.310 -3.620 1.00 61.12 H new ATOM 0 HD12 LEU A 58 29.556 -19.996 -2.384 1.00 61.12 H new ATOM 0 HD13 LEU A 58 28.904 -19.511 -3.968 1.00 61.12 H new ATOM 0 HD21 LEU A 58 30.487 -16.906 -4.209 1.00 55.40 H new ATOM 0 HD22 LEU A 58 28.752 -17.091 -4.558 1.00 55.40 H new ATOM 0 HD23 LEU A 58 29.300 -15.855 -3.401 1.00 55.40 H new ATOM 957 N ALA A 59 30.005 -18.400 0.324 1.00 35.55 N ATOM 958 CA ALA A 59 30.883 -17.852 1.340 1.00 42.01 C ATOM 959 C ALA A 59 30.749 -16.340 1.379 1.00 65.22 C ATOM 960 O ALA A 59 30.978 -15.716 2.421 1.00 41.30 O ATOM 961 CB ALA A 59 32.333 -18.216 1.044 1.00 11.31 C ATOM 0 H ALA A 59 30.452 -19.045 -0.327 1.00 35.55 H new ATOM 0 HA ALA A 59 30.597 -18.273 2.304 1.00 42.01 H new ATOM 0 HB1 ALA A 59 32.978 -17.797 1.816 1.00 11.31 H new ATOM 0 HB2 ALA A 59 32.440 -19.301 1.031 1.00 11.31 H new ATOM 0 HB3 ALA A 59 32.619 -17.811 0.073 1.00 11.31 H new ATOM 967 N ARG A 60 30.384 -15.751 0.244 1.00 75.14 N ATOM 968 CA ARG A 60 30.231 -14.313 0.165 1.00 23.34 C ATOM 969 C ARG A 60 28.986 -13.862 0.925 1.00 54.11 C ATOM 970 O ARG A 60 27.851 -14.154 0.531 1.00 12.14 O ATOM 971 CB ARG A 60 30.171 -13.841 -1.293 1.00 30.40 C ATOM 972 CG ARG A 60 30.360 -12.319 -1.333 1.00 11.11 C ATOM 973 CD ARG A 60 30.351 -11.818 -2.781 1.00 21.13 C ATOM 974 NE ARG A 60 30.666 -10.389 -2.815 1.00 41.43 N ATOM 975 CZ ARG A 60 31.910 -9.939 -2.961 1.00 20.23 C ATOM 976 NH1 ARG A 60 32.889 -10.780 -3.119 1.00 64.24 N ATOM 977 NH2 ARG A 60 32.141 -8.656 -2.936 1.00 14.15 N ATOM 0 H ARG A 60 30.191 -16.249 -0.625 1.00 75.14 H new ATOM 0 HA ARG A 60 31.105 -13.858 0.630 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.947 -14.332 -1.880 1.00 30.40 H new ATOM 0 HB3 ARG A 60 29.214 -14.113 -1.738 1.00 30.40 H new ATOM 0 HG2 ARG A 60 29.565 -11.832 -0.768 1.00 11.11 H new ATOM 0 HG3 ARG A 60 31.302 -12.050 -0.854 1.00 11.11 H new ATOM 0 HD2 ARG A 60 31.079 -12.374 -3.372 1.00 21.13 H new ATOM 0 HD3 ARG A 60 29.374 -11.995 -3.230 1.00 21.13 H new ATOM 0 HE ARG A 60 29.906 -9.715 -2.724 1.00 41.43 H new ATOM 0 HH11 ARG A 60 32.703 -11.783 -3.131 1.00 64.24 H new ATOM 0 HH12 ARG A 60 33.843 -10.437 -3.231 1.00 64.24 H new ATOM 0 HH21 ARG A 60 31.370 -8.001 -2.805 1.00 14.15 H new ATOM 0 HH22 ARG A 60 33.093 -8.307 -3.047 1.00 14.15 H new ATOM 991 N ASP A 61 29.224 -13.094 1.964 1.00 5.24 N ATOM 992 CA ASP A 61 28.187 -12.519 2.808 1.00 62.30 C ATOM 993 C ASP A 61 27.365 -11.516 2.009 1.00 23.25 C ATOM 994 O ASP A 61 26.207 -11.258 2.323 1.00 41.02 O ATOM 995 CB ASP A 61 28.860 -11.820 4.001 1.00 4.03 C ATOM 996 CG ASP A 61 27.925 -11.654 5.184 1.00 13.24 C ATOM 997 OD1 ASP A 61 27.042 -12.479 5.371 1.00 24.14 O ATOM 998 OD2 ASP A 61 28.130 -10.726 5.922 1.00 33.05 O ATOM 0 H ASP A 61 30.168 -12.842 2.258 1.00 5.24 H new ATOM 0 HA ASP A 61 27.520 -13.303 3.167 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.732 -12.396 4.310 1.00 4.03 H new ATOM 0 HB3 ASP A 61 29.220 -10.840 3.687 1.00 4.03 H new ATOM 1003 N GLN A 62 28.035 -10.857 1.062 1.00 12.52 N ATOM 1004 CA GLN A 62 27.453 -9.759 0.282 1.00 34.33 C ATOM 1005 C GLN A 62 26.345 -10.205 -0.678 1.00 44.45 C ATOM 1006 O GLN A 62 25.537 -9.372 -1.104 1.00 1.43 O ATOM 1007 CB GLN A 62 28.526 -9.021 -0.518 1.00 0.02 C ATOM 1008 CG GLN A 62 29.472 -8.272 0.417 1.00 25.23 C ATOM 1009 CD GLN A 62 30.531 -7.544 -0.407 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.458 -7.525 -1.645 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.507 -6.949 0.190 1.00 15.21 N ATOM 0 H GLN A 62 29.001 -11.069 0.812 1.00 12.52 H new ATOM 0 HA GLN A 62 27.004 -9.094 1.020 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.090 -9.732 -1.122 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.056 -8.319 -1.207 1.00 0.02 H new ATOM 0 HG2 GLN A 62 28.913 -7.558 1.022 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.948 -8.970 1.106 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.567 -6.964 1.208 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.218 -6.463 -0.356 1.00 15.21 H new ATOM 1020 N GLU A 63 26.381 -11.453 -1.144 1.00 4.31 N ATOM 1021 CA GLU A 63 25.400 -11.873 -2.157 1.00 63.23 C ATOM 1022 C GLU A 63 23.968 -11.746 -1.653 1.00 22.23 C ATOM 1023 O GLU A 63 23.709 -11.843 -0.448 1.00 10.12 O ATOM 1024 CB GLU A 63 25.664 -13.277 -2.714 1.00 4.24 C ATOM 1025 CG GLU A 63 26.927 -13.251 -3.580 1.00 13.54 C ATOM 1026 CD GLU A 63 27.125 -14.576 -4.297 1.00 55.25 C ATOM 1027 OE1 GLU A 63 26.332 -15.478 -4.095 1.00 51.42 O ATOM 1028 OE2 GLU A 63 28.062 -14.667 -5.059 1.00 33.23 O ATOM 0 H GLU A 63 27.047 -12.169 -0.855 1.00 4.31 H new ATOM 0 HA GLU A 63 25.528 -11.180 -2.988 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.785 -13.988 -1.897 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.811 -13.612 -3.305 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.854 -12.446 -4.311 1.00 13.54 H new ATOM 0 HG3 GLU A 63 27.795 -13.038 -2.956 1.00 13.54 H new ATOM 1035 N THR A 64 23.056 -11.445 -2.564 1.00 35.12 N ATOM 1036 CA THR A 64 21.679 -11.180 -2.202 1.00 71.14 C ATOM 1037 C THR A 64 20.966 -12.405 -1.660 1.00 54.02 C ATOM 1038 O THR A 64 21.370 -13.555 -1.903 1.00 2.04 O ATOM 1039 CB THR A 64 20.906 -10.610 -3.403 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.359 -11.217 -4.611 1.00 5.15 O ATOM 1041 CG2 THR A 64 21.066 -9.095 -3.482 1.00 70.13 C ATOM 0 H THR A 64 23.249 -11.379 -3.563 1.00 35.12 H new ATOM 0 HA THR A 64 21.705 -10.442 -1.400 1.00 71.14 H new ATOM 0 HB THR A 64 19.848 -10.835 -3.268 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.615 -12.146 -4.434 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.510 -8.715 -4.339 1.00 70.13 H new ATOM 0 HG22 THR A 64 20.681 -8.640 -2.569 1.00 70.13 H new ATOM 0 HG23 THR A 64 22.121 -8.846 -3.594 1.00 70.13 H new ATOM 1049 N LEU A 65 19.872 -12.151 -0.974 1.00 11.25 N ATOM 1050 CA LEU A 65 19.044 -13.201 -0.436 1.00 22.02 C ATOM 1051 C LEU A 65 18.464 -14.012 -1.591 1.00 11.33 C ATOM 1052 O LEU A 65 18.441 -15.246 -1.557 1.00 62.22 O ATOM 1053 CB LEU A 65 17.916 -12.590 0.402 1.00 34.52 C ATOM 1054 CG LEU A 65 18.496 -11.856 1.623 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.364 -11.181 2.394 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.221 -12.840 2.546 1.00 30.03 C ATOM 0 H LEU A 65 19.534 -11.209 -0.775 1.00 11.25 H new ATOM 0 HA LEU A 65 19.638 -13.854 0.203 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.336 -11.896 -0.207 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.233 -13.373 0.731 1.00 34.52 H new ATOM 0 HG LEU A 65 19.209 -11.108 1.276 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.773 -10.660 3.260 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.858 -10.465 1.746 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.651 -11.935 2.728 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.625 -12.303 3.404 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.520 -13.600 2.890 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.035 -13.318 2.001 1.00 30.03 H new ATOM 1068 N HIS A 66 18.059 -13.307 -2.647 1.00 73.23 N ATOM 1069 CA HIS A 66 17.518 -13.955 -3.841 1.00 34.14 C ATOM 1070 C HIS A 66 18.559 -14.897 -4.421 1.00 10.32 C ATOM 1071 O HIS A 66 18.264 -16.055 -4.734 1.00 1.13 O ATOM 1072 CB HIS A 66 17.128 -12.904 -4.892 1.00 25.42 C ATOM 1073 CG HIS A 66 16.194 -13.516 -5.898 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.644 -14.294 -6.951 1.00 11.11 N ATOM 1075 CD2 HIS A 66 14.827 -13.474 -6.017 1.00 15.50 C ATOM 1076 CE1 HIS A 66 15.563 -14.688 -7.654 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.430 -14.215 -7.126 1.00 53.54 N ATOM 0 H HIS A 66 18.095 -12.289 -2.700 1.00 73.23 H new ATOM 0 HA HIS A 66 16.627 -14.519 -3.564 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.650 -12.052 -4.408 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.020 -12.527 -5.392 1.00 25.42 H new ATOM 0 HD2 HIS A 66 14.161 -12.946 -5.351 1.00 15.50 H new ATOM 0 HE1 HIS A 66 15.607 -15.310 -8.536 1.00 44.55 H new ATOM 0 HE2 HIS A 66 13.479 -14.365 -7.463 1.00 53.54 H new ATOM 1086 N SER A 67 19.797 -14.423 -4.481 1.00 14.51 N ATOM 1087 CA SER A 67 20.899 -15.237 -4.962 1.00 21.22 C ATOM 1088 C SER A 67 21.121 -16.432 -4.053 1.00 5.04 C ATOM 1089 O SER A 67 21.721 -17.434 -4.459 1.00 31.30 O ATOM 1090 CB SER A 67 22.171 -14.400 -5.065 1.00 53.23 C ATOM 1091 OG SER A 67 22.125 -13.347 -4.105 1.00 52.30 O ATOM 0 H SER A 67 20.060 -13.478 -4.202 1.00 14.51 H new ATOM 0 HA SER A 67 20.645 -15.607 -5.955 1.00 21.22 H new ATOM 0 HB2 SER A 67 23.046 -15.026 -4.892 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.267 -13.987 -6.069 1.00 53.23 H new ATOM 0 HG SER A 67 22.082 -13.728 -3.203 1.00 52.30 H new ATOM 1097 N HIS A 68 20.606 -16.342 -2.836 1.00 71.23 N ATOM 1098 CA HIS A 68 20.698 -17.440 -1.888 1.00 44.15 C ATOM 1099 C HIS A 68 19.389 -18.206 -1.813 1.00 51.40 C ATOM 1100 O HIS A 68 19.207 -19.059 -0.948 1.00 71.43 O ATOM 1101 CB HIS A 68 21.132 -16.959 -0.503 1.00 24.14 C ATOM 1102 CG HIS A 68 22.548 -16.449 -0.570 1.00 33.13 C ATOM 1103 ND1 HIS A 68 23.597 -17.231 -1.041 1.00 40.22 N ATOM 1104 CD2 HIS A 68 23.108 -15.246 -0.214 1.00 74.41 C ATOM 1105 CE1 HIS A 68 24.720 -16.487 -0.953 1.00 31.20 C ATOM 1106 NE2 HIS A 68 24.477 -15.270 -0.455 1.00 62.11 N ATOM 0 H HIS A 68 20.120 -15.518 -2.482 1.00 71.23 H new ATOM 0 HA HIS A 68 21.469 -18.119 -2.252 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.466 -16.170 -0.155 1.00 24.14 H new ATOM 0 HB3 HIS A 68 21.062 -17.775 0.216 1.00 24.14 H new ATOM 0 HD1 HIS A 68 23.530 -18.188 -1.388 1.00 40.22 H new ATOM 0 HD2 HIS A 68 22.565 -14.406 0.193 1.00 74.41 H new ATOM 0 HE1 HIS A 68 25.699 -16.834 -1.250 1.00 31.20 H new ATOM 1115 N GLY A 69 18.511 -17.954 -2.772 1.00 24.31 N ATOM 1116 CA GLY A 69 17.272 -18.712 -2.899 1.00 1.43 C ATOM 1117 C GLY A 69 16.107 -18.082 -2.156 1.00 24.22 C ATOM 1118 O GLY A 69 14.981 -18.576 -2.243 1.00 54.34 O ATOM 0 H GLY A 69 18.633 -17.227 -3.477 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.015 -18.802 -3.954 1.00 1.43 H new ATOM 0 HA3 GLY A 69 17.431 -19.722 -2.522 1.00 1.43 H new ATOM 1122 N VAL A 70 16.342 -16.973 -1.474 1.00 14.11 N ATOM 1123 CA VAL A 70 15.253 -16.298 -0.784 1.00 2.23 C ATOM 1124 C VAL A 70 14.532 -15.400 -1.777 1.00 63.41 C ATOM 1125 O VAL A 70 15.016 -14.320 -2.111 1.00 21.42 O ATOM 1126 CB VAL A 70 15.794 -15.469 0.383 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.651 -15.096 1.330 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.859 -16.262 1.150 1.00 4.51 C ATOM 0 H VAL A 70 17.255 -16.528 -1.383 1.00 14.11 H new ATOM 0 HA VAL A 70 14.560 -17.036 -0.381 1.00 2.23 H new ATOM 0 HB VAL A 70 16.246 -14.560 -0.014 1.00 22.03 H new ATOM 0 HG11 VAL A 70 15.043 -14.506 2.159 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.906 -14.512 0.789 1.00 73.22 H new ATOM 0 HG13 VAL A 70 14.189 -16.004 1.718 1.00 73.22 H new ATOM 0 HG21 VAL A 70 17.235 -15.660 1.977 1.00 4.51 H new ATOM 0 HG22 VAL A 70 16.419 -17.180 1.540 1.00 4.51 H new ATOM 0 HG23 VAL A 70 17.681 -16.510 0.479 1.00 4.51 H new ATOM 1138 N ARG A 71 13.456 -15.911 -2.346 1.00 60.24 N ATOM 1139 CA ARG A 71 12.773 -15.212 -3.426 1.00 5.14 C ATOM 1140 C ARG A 71 11.442 -14.656 -2.973 1.00 73.44 C ATOM 1141 O ARG A 71 10.784 -13.927 -3.722 1.00 42.30 O ATOM 1142 CB ARG A 71 12.527 -16.182 -4.576 1.00 72.31 C ATOM 1143 CG ARG A 71 13.858 -16.754 -5.061 1.00 42.42 C ATOM 1144 CD ARG A 71 13.584 -17.763 -6.167 1.00 13.23 C ATOM 1145 NE ARG A 71 12.820 -18.888 -5.632 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.418 -19.900 -6.401 1.00 42.14 C ATOM 1147 NH1 ARG A 71 12.774 -19.951 -7.655 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.691 -20.844 -5.894 1.00 31.11 N ATOM 0 H ARG A 71 13.036 -16.802 -2.082 1.00 60.24 H new ATOM 0 HA ARG A 71 13.407 -14.384 -3.743 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.871 -16.989 -4.250 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.020 -15.670 -5.394 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.500 -15.954 -5.430 1.00 42.42 H new ATOM 0 HG3 ARG A 71 14.386 -17.232 -4.236 1.00 42.42 H new ATOM 0 HD2 ARG A 71 13.030 -17.288 -6.977 1.00 13.23 H new ATOM 0 HD3 ARG A 71 14.524 -18.118 -6.589 1.00 13.23 H new ATOM 0 HE ARG A 71 12.587 -18.899 -4.639 1.00 43.00 H new ATOM 0 HH11 ARG A 71 13.361 -19.216 -8.049 1.00 15.55 H new ATOM 0 HH12 ARG A 71 12.465 -20.726 -8.242 1.00 15.55 H new ATOM 0 HH21 ARG A 71 11.428 -20.812 -4.909 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.382 -21.620 -6.480 1.00 31.11 H new ATOM 1162 N GLN A 72 10.980 -15.100 -1.822 1.00 22.33 N ATOM 1163 CA GLN A 72 9.656 -14.728 -1.345 1.00 11.22 C ATOM 1164 C GLN A 72 9.490 -15.115 0.102 1.00 63.41 C ATOM 1165 O GLN A 72 10.384 -15.695 0.705 1.00 54.20 O ATOM 1166 CB GLN A 72 8.562 -15.394 -2.202 1.00 72.22 C ATOM 1167 CG GLN A 72 8.962 -16.842 -2.528 1.00 11.44 C ATOM 1168 CD GLN A 72 9.072 -17.044 -4.037 1.00 64.24 C ATOM 1169 OE1 GLN A 72 8.753 -18.118 -4.547 1.00 55.53 O ATOM 1170 NE2 GLN A 72 9.505 -16.073 -4.790 1.00 55.43 N ATOM 0 H GLN A 72 11.498 -15.718 -1.197 1.00 22.33 H new ATOM 0 HA GLN A 72 9.553 -13.646 -1.432 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.612 -15.381 -1.668 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.417 -14.831 -3.124 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.915 -17.077 -2.054 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.223 -17.530 -2.117 1.00 11.44 H new ATOM 0 HE21 GLN A 72 9.770 -15.182 -4.371 1.00 55.43 H new ATOM 0 HE22 GLN A 72 9.579 -16.204 -5.799 1.00 55.43 H new ATOM 1179 N ASN A 73 8.324 -14.846 0.646 1.00 71.53 N ATOM 1180 CA ASN A 73 8.047 -15.227 2.015 1.00 20.42 C ATOM 1181 C ASN A 73 7.838 -16.725 2.085 1.00 52.02 C ATOM 1182 O ASN A 73 7.560 -17.366 1.065 1.00 44.32 O ATOM 1183 CB ASN A 73 6.819 -14.485 2.565 1.00 43.42 C ATOM 1184 CG ASN A 73 5.536 -15.224 2.192 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.171 -16.201 2.850 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.833 -14.828 1.178 1.00 55.51 N ATOM 0 H ASN A 73 7.559 -14.370 0.168 1.00 71.53 H new ATOM 0 HA ASN A 73 8.900 -14.949 2.634 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.894 -14.399 3.649 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.791 -13.471 2.166 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.979 -15.324 0.925 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.134 -14.020 0.633 1.00 55.51 H new ATOM 1193 N GLY A 74 8.039 -17.295 3.252 1.00 42.33 N ATOM 1194 CA GLY A 74 7.934 -18.735 3.412 1.00 72.21 C ATOM 1195 C GLY A 74 9.296 -19.376 3.258 1.00 53.51 C ATOM 1196 O GLY A 74 9.464 -20.578 3.507 1.00 53.41 O ATOM 0 H GLY A 74 8.276 -16.788 4.105 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.521 -18.971 4.393 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.246 -19.142 2.671 1.00 72.21 H new ATOM 1200 N ASP A 75 10.276 -18.570 2.861 1.00 74.32 N ATOM 1201 CA ASP A 75 11.642 -19.035 2.734 1.00 40.23 C ATOM 1202 C ASP A 75 12.257 -19.172 4.108 1.00 33.23 C ATOM 1203 O ASP A 75 11.880 -18.452 5.041 1.00 22.31 O ATOM 1204 CB ASP A 75 12.462 -18.085 1.848 1.00 54.44 C ATOM 1205 CG ASP A 75 12.124 -18.316 0.375 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.618 -19.370 0.064 1.00 43.04 O ATOM 1207 OD2 ASP A 75 12.367 -17.441 -0.424 1.00 41.44 O ATOM 0 H ASP A 75 10.142 -17.587 2.622 1.00 74.32 H new ATOM 0 HA ASP A 75 11.645 -20.012 2.251 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.252 -17.050 2.119 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.527 -18.248 2.015 1.00 54.44 H new ATOM 1212 N SER A 76 13.117 -20.149 4.267 1.00 54.11 N ATOM 1213 CA SER A 76 13.691 -20.447 5.566 1.00 54.23 C ATOM 1214 C SER A 76 15.220 -20.506 5.476 1.00 1.51 C ATOM 1215 O SER A 76 15.767 -20.953 4.469 1.00 74.44 O ATOM 1216 CB SER A 76 13.138 -21.794 6.055 1.00 52.41 C ATOM 1217 OG SER A 76 11.800 -21.962 5.556 1.00 21.32 O ATOM 0 H SER A 76 13.438 -20.756 3.513 1.00 54.11 H new ATOM 0 HA SER A 76 13.423 -19.660 6.271 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.773 -22.609 5.709 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.140 -21.828 7.144 1.00 52.41 H new ATOM 0 HG SER A 76 11.210 -21.299 5.971 1.00 21.32 H new ATOM 1223 N ALA A 77 15.899 -20.082 6.532 1.00 33.13 N ATOM 1224 CA ALA A 77 17.362 -20.114 6.583 1.00 74.42 C ATOM 1225 C ALA A 77 17.828 -20.645 7.924 1.00 71.15 C ATOM 1226 O ALA A 77 17.028 -20.781 8.863 1.00 14.41 O ATOM 1227 CB ALA A 77 17.950 -18.718 6.348 1.00 5.24 C ATOM 0 H ALA A 77 15.460 -19.708 7.374 1.00 33.13 H new ATOM 0 HA ALA A 77 17.712 -20.776 5.791 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.038 -18.769 6.391 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.642 -18.354 5.368 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.588 -18.037 7.118 1.00 5.24 H new ATOM 1233 N TYR A 78 19.103 -20.975 8.019 1.00 12.02 N ATOM 1234 CA TYR A 78 19.635 -21.522 9.250 1.00 11.21 C ATOM 1235 C TYR A 78 20.803 -20.679 9.744 1.00 11.53 C ATOM 1236 O TYR A 78 21.682 -20.309 8.967 1.00 70.42 O ATOM 1237 CB TYR A 78 20.059 -22.975 9.006 1.00 33.45 C ATOM 1238 CG TYR A 78 18.832 -23.756 8.570 1.00 43.33 C ATOM 1239 CD1 TYR A 78 18.465 -23.766 7.217 1.00 61.00 C ATOM 1240 CD2 TYR A 78 18.050 -24.434 9.508 1.00 21.22 C ATOM 1241 CE1 TYR A 78 17.324 -24.457 6.805 1.00 1.34 C ATOM 1242 CE2 TYR A 78 16.901 -25.121 9.094 1.00 41.13 C ATOM 1243 CZ TYR A 78 16.540 -25.134 7.741 1.00 43.02 C ATOM 1244 OH TYR A 78 15.405 -25.806 7.329 1.00 40.42 O ATOM 0 H TYR A 78 19.783 -20.875 7.265 1.00 12.02 H new ATOM 0 HA TYR A 78 18.869 -21.503 10.025 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.833 -23.022 8.240 1.00 33.45 H new ATOM 0 HB3 TYR A 78 20.482 -23.406 9.913 1.00 33.45 H new ATOM 0 HD1 TYR A 78 19.066 -23.238 6.492 1.00 61.00 H new ATOM 0 HD2 TYR A 78 18.331 -24.429 10.551 1.00 21.22 H new ATOM 0 HE1 TYR A 78 17.048 -24.468 5.761 1.00 1.34 H new ATOM 0 HE2 TYR A 78 16.293 -25.641 9.819 1.00 41.13 H new ATOM 0 HH TYR A 78 14.974 -26.225 8.103 1.00 40.42 H new ATOM 1254 N LEU A 79 20.782 -20.348 11.018 1.00 25.24 N ATOM 1255 CA LEU A 79 21.811 -19.528 11.640 1.00 53.21 C ATOM 1256 C LEU A 79 22.429 -20.270 12.809 1.00 53.55 C ATOM 1257 O LEU A 79 21.706 -20.789 13.667 1.00 62.25 O ATOM 1258 CB LEU A 79 21.201 -18.193 12.123 1.00 53.33 C ATOM 1259 CG LEU A 79 22.239 -17.378 12.924 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.391 -16.955 12.011 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.570 -16.123 13.496 1.00 71.21 C ATOM 0 H LEU A 79 20.046 -20.641 11.660 1.00 25.24 H new ATOM 0 HA LEU A 79 22.588 -19.317 10.905 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.858 -17.613 11.266 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.328 -18.390 12.745 1.00 53.33 H new ATOM 0 HG LEU A 79 22.627 -17.996 13.734 1.00 44.43 H new ATOM 0 HD11 LEU A 79 24.118 -16.381 12.585 1.00 75.51 H new ATOM 0 HD12 LEU A 79 23.873 -17.842 11.599 1.00 75.51 H new ATOM 0 HD13 LEU A 79 23.004 -16.341 11.198 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.302 -15.546 14.062 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.181 -15.514 12.680 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.751 -16.415 14.153 1.00 71.21 H new ATOM 1273 N TYR A 80 23.749 -20.282 12.879 1.00 5.12 N ATOM 1274 CA TYR A 80 24.435 -20.886 14.010 1.00 41.02 C ATOM 1275 C TYR A 80 25.188 -19.818 14.794 1.00 42.44 C ATOM 1276 O TYR A 80 25.808 -18.926 14.201 1.00 55.24 O ATOM 1277 CB TYR A 80 25.394 -22.006 13.577 1.00 20.13 C ATOM 1278 CG TYR A 80 25.639 -22.917 14.762 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.524 -22.528 15.776 1.00 32.42 C ATOM 1280 CD2 TYR A 80 24.963 -24.139 14.856 1.00 60.13 C ATOM 1281 CE1 TYR A 80 26.732 -23.363 16.877 1.00 4.45 C ATOM 1282 CE2 TYR A 80 25.172 -24.971 15.959 1.00 34.21 C ATOM 1283 CZ TYR A 80 26.056 -24.585 16.967 1.00 1.20 C ATOM 1284 OH TYR A 80 26.254 -25.403 18.055 1.00 2.11 O ATOM 0 H TYR A 80 24.365 -19.883 12.171 1.00 5.12 H new ATOM 0 HA TYR A 80 23.677 -21.340 14.649 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.967 -22.570 12.748 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.335 -21.583 13.224 1.00 20.13 H new ATOM 0 HD1 TYR A 80 27.045 -21.584 15.707 1.00 32.42 H new ATOM 0 HD2 TYR A 80 24.279 -24.439 14.076 1.00 60.13 H new ATOM 0 HE1 TYR A 80 27.415 -23.065 17.659 1.00 4.45 H new ATOM 0 HE2 TYR A 80 24.649 -25.913 16.031 1.00 34.21 H new ATOM 0 HH TYR A 80 25.586 -25.200 18.743 1.00 2.11 H new ATOM 1294 N LEU A 81 25.083 -19.878 16.111 1.00 0.03 N ATOM 1295 CA LEU A 81 25.724 -18.916 16.993 1.00 31.14 C ATOM 1296 C LEU A 81 26.817 -19.574 17.808 1.00 52.43 C ATOM 1297 O LEU A 81 26.642 -20.665 18.356 1.00 25.33 O ATOM 1298 CB LEU A 81 24.697 -18.264 17.924 1.00 11.44 C ATOM 1299 CG LEU A 81 23.629 -17.554 17.082 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.560 -16.957 17.994 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.272 -16.435 16.252 1.00 62.13 C ATOM 0 H LEU A 81 24.550 -20.597 16.600 1.00 0.03 H new ATOM 0 HA LEU A 81 26.173 -18.142 16.370 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.233 -19.019 18.559 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.189 -17.551 18.585 1.00 11.44 H new ATOM 0 HG LEU A 81 23.170 -18.281 16.412 1.00 63.32 H new ATOM 0 HD11 LEU A 81 21.805 -16.454 17.389 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.091 -17.752 18.573 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.020 -16.238 18.671 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.506 -15.937 15.658 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.742 -15.712 16.918 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.026 -16.861 15.589 1.00 62.13 H new ATOM 1313 N LEU A 82 27.939 -18.902 17.878 1.00 41.20 N ATOM 1314 CA LEU A 82 29.091 -19.384 18.621 1.00 33.24 C ATOM 1315 C LEU A 82 28.895 -19.207 20.117 1.00 52.35 C ATOM 1316 O LEU A 82 27.976 -18.519 20.562 1.00 61.23 O ATOM 1317 CB LEU A 82 30.358 -18.654 18.178 1.00 34.41 C ATOM 1318 CG LEU A 82 30.986 -19.350 16.969 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.033 -19.286 15.782 1.00 4.22 C ATOM 1320 CD2 LEU A 82 32.288 -18.638 16.607 1.00 74.54 C ATOM 0 H LEU A 82 28.086 -18.002 17.422 1.00 41.20 H new ATOM 0 HA LEU A 82 29.197 -20.448 18.410 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.120 -17.621 17.926 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.073 -18.625 19.000 1.00 34.41 H new ATOM 0 HG LEU A 82 31.185 -20.393 17.214 1.00 5.31 H new ATOM 0 HD11 LEU A 82 30.486 -19.783 14.924 1.00 4.22 H new ATOM 0 HD12 LEU A 82 29.098 -19.785 16.039 1.00 4.22 H new ATOM 0 HD13 LEU A 82 29.832 -18.244 15.533 1.00 4.22 H new ATOM 0 HD21 LEU A 82 32.743 -19.127 15.746 1.00 74.54 H new ATOM 0 HD22 LEU A 82 32.078 -17.597 16.363 1.00 74.54 H new ATOM 0 HD23 LEU A 82 32.974 -18.681 17.453 1.00 74.54 H new ATOM 1332 N SER A 83 29.789 -19.798 20.880 1.00 72.52 N ATOM 1333 CA SER A 83 29.761 -19.700 22.329 1.00 14.32 C ATOM 1334 C SER A 83 29.901 -18.241 22.782 1.00 12.51 C ATOM 1335 O SER A 83 29.302 -17.828 23.788 1.00 43.32 O ATOM 1336 CB SER A 83 30.880 -20.556 22.914 1.00 65.22 C ATOM 1337 OG SER A 83 31.015 -21.746 22.126 1.00 63.53 O ATOM 0 H SER A 83 30.558 -20.361 20.516 1.00 72.52 H new ATOM 0 HA SER A 83 28.801 -20.067 22.692 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.817 -19.999 22.919 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.656 -20.813 23.949 1.00 65.22 H new ATOM 0 HG SER A 83 31.733 -22.302 22.494 1.00 63.53 H new ATOM 1343 N ALA A 84 30.714 -17.480 22.048 1.00 2.42 N ATOM 1344 CA ALA A 84 30.965 -16.061 22.342 1.00 12.40 C ATOM 1345 C ALA A 84 29.652 -15.269 22.414 1.00 24.54 C ATOM 1346 O ALA A 84 28.576 -15.854 22.489 1.00 65.31 O ATOM 1347 CB ALA A 84 31.896 -15.457 21.284 1.00 41.54 C ATOM 0 H ALA A 84 31.219 -17.826 21.232 1.00 2.42 H new ATOM 0 HA ALA A 84 31.449 -15.997 23.317 1.00 12.40 H new ATOM 0 HB1 ALA A 84 32.074 -14.406 21.513 1.00 41.54 H new ATOM 0 HB2 ALA A 84 32.844 -15.994 21.285 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.432 -15.541 20.301 1.00 41.54 H new ATOM 1353 N ARG A 85 29.737 -13.947 22.392 1.00 20.43 N ATOM 1354 CA ARG A 85 28.545 -13.102 22.473 1.00 2.21 C ATOM 1355 C ARG A 85 28.889 -11.665 22.096 1.00 70.24 C ATOM 1356 O ARG A 85 29.861 -11.420 21.381 1.00 2.14 O ATOM 1357 CB ARG A 85 27.953 -13.149 23.900 1.00 3.12 C ATOM 1358 CG ARG A 85 26.413 -12.971 23.861 1.00 73.00 C ATOM 1359 CD ARG A 85 25.737 -14.258 23.359 1.00 4.44 C ATOM 1360 NE ARG A 85 26.579 -15.427 23.621 1.00 10.23 N ATOM 1361 CZ ARG A 85 26.342 -16.292 24.609 1.00 63.44 C ATOM 1362 NH1 ARG A 85 25.333 -16.110 25.420 1.00 54.33 N ATOM 1363 NH2 ARG A 85 27.131 -17.312 24.771 1.00 55.53 N ATOM 0 H ARG A 85 30.615 -13.433 22.319 1.00 20.43 H new ATOM 0 HA ARG A 85 27.802 -13.480 21.771 1.00 2.21 H new ATOM 0 HB2 ARG A 85 28.202 -14.100 24.371 1.00 3.12 H new ATOM 0 HB3 ARG A 85 28.399 -12.364 24.510 1.00 3.12 H new ATOM 0 HG2 ARG A 85 26.044 -12.723 24.856 1.00 73.00 H new ATOM 0 HG3 ARG A 85 26.153 -12.138 23.208 1.00 73.00 H new ATOM 0 HD2 ARG A 85 24.772 -14.382 23.851 1.00 4.44 H new ATOM 0 HD3 ARG A 85 25.542 -14.178 22.290 1.00 4.44 H new ATOM 0 HE ARG A 85 27.386 -15.588 23.019 1.00 10.23 H new ATOM 0 HH11 ARG A 85 24.721 -15.303 25.300 1.00 54.33 H new ATOM 0 HH12 ARG A 85 25.158 -16.775 26.173 1.00 54.33 H new ATOM 0 HH21 ARG A 85 27.925 -17.447 24.145 1.00 55.53 H new ATOM 0 HH22 ARG A 85 26.956 -17.977 25.524 1.00 55.53 H new ATOM 1377 N ASN A 86 28.117 -10.729 22.615 1.00 72.42 N ATOM 1378 CA ASN A 86 28.339 -9.305 22.402 1.00 43.42 C ATOM 1379 C ASN A 86 28.071 -8.561 23.698 1.00 13.12 C ATOM 1380 O ASN A 86 27.912 -9.187 24.747 1.00 21.14 O ATOM 1381 CB ASN A 86 27.436 -8.761 21.280 1.00 53.32 C ATOM 1382 CG ASN A 86 25.996 -8.621 21.768 1.00 11.41 C ATOM 1383 OD1 ASN A 86 25.591 -9.299 22.715 1.00 50.23 O ATOM 1384 ND2 ASN A 86 25.202 -7.767 21.195 1.00 4.31 N ATOM 0 H ASN A 86 27.309 -10.934 23.203 1.00 72.42 H new ATOM 0 HA ASN A 86 29.374 -9.153 22.096 1.00 43.42 H new ATOM 0 HB2 ASN A 86 27.807 -7.793 20.944 1.00 53.32 H new ATOM 0 HB3 ASN A 86 27.471 -9.431 20.421 1.00 53.32 H new ATOM 0 HD21 ASN A 86 24.244 -7.658 21.529 1.00 4.31 H new ATOM 0 HD22 ASN A 86 25.536 -7.206 20.412 1.00 4.31 H new ATOM 1391 N THR A 87 28.009 -7.247 23.634 1.00 54.54 N ATOM 1392 CA THR A 87 27.748 -6.442 24.814 1.00 5.51 C ATOM 1393 C THR A 87 26.518 -5.562 24.595 1.00 42.40 C ATOM 1394 O THR A 87 26.259 -5.112 23.472 1.00 24.33 O ATOM 1395 CB THR A 87 28.986 -5.585 25.128 1.00 0.04 C ATOM 1396 OG1 THR A 87 29.572 -5.135 23.903 1.00 73.02 O ATOM 1397 CG2 THR A 87 30.012 -6.429 25.891 1.00 13.21 C ATOM 0 H THR A 87 28.136 -6.711 22.776 1.00 54.54 H new ATOM 0 HA THR A 87 27.545 -7.095 25.663 1.00 5.51 H new ATOM 0 HB THR A 87 28.690 -4.729 25.735 1.00 0.04 H new ATOM 0 HG1 THR A 87 30.360 -4.587 24.099 1.00 73.02 H new ATOM 0 HG21 THR A 87 30.889 -5.822 26.114 1.00 13.21 H new ATOM 0 HG22 THR A 87 29.571 -6.784 26.822 1.00 13.21 H new ATOM 0 HG23 THR A 87 30.307 -7.283 25.281 1.00 13.21 H new ATOM 1405 N SER A 88 25.756 -5.331 25.655 1.00 41.20 N ATOM 1406 CA SER A 88 24.547 -4.532 25.550 1.00 14.24 C ATOM 1407 C SER A 88 24.898 -3.079 25.281 1.00 53.12 C ATOM 1408 O SER A 88 25.876 -2.555 25.832 1.00 13.03 O ATOM 1409 CB SER A 88 23.734 -4.643 26.834 1.00 12.31 C ATOM 1410 OG SER A 88 23.674 -6.014 27.227 1.00 52.20 O ATOM 0 H SER A 88 25.953 -5.684 26.591 1.00 41.20 H new ATOM 0 HA SER A 88 23.950 -4.908 24.719 1.00 14.24 H new ATOM 0 HB2 SER A 88 24.191 -4.045 27.622 1.00 12.31 H new ATOM 0 HB3 SER A 88 22.729 -4.251 26.679 1.00 12.31 H new ATOM 0 HG SER A 88 23.154 -6.095 28.054 1.00 52.20 H new ATOM 1416 N LEU A 89 24.086 -2.421 24.467 1.00 11.45 N ATOM 1417 CA LEU A 89 24.315 -1.025 24.127 1.00 2.42 C ATOM 1418 C LEU A 89 24.237 -0.168 25.374 1.00 41.41 C ATOM 1419 O LEU A 89 25.079 0.702 25.593 1.00 23.42 O ATOM 1420 CB LEU A 89 23.282 -0.546 23.094 1.00 31.31 C ATOM 1421 CG LEU A 89 23.505 -1.230 21.723 1.00 52.24 C ATOM 1422 CD1 LEU A 89 24.985 -1.590 21.513 1.00 72.30 C ATOM 1423 CD2 LEU A 89 22.653 -2.501 21.633 1.00 73.01 C ATOM 0 H LEU A 89 23.262 -2.832 24.029 1.00 11.45 H new ATOM 0 HA LEU A 89 25.310 -0.932 23.692 1.00 2.42 H new ATOM 0 HB2 LEU A 89 22.276 -0.764 23.453 1.00 31.31 H new ATOM 0 HB3 LEU A 89 23.352 0.536 22.980 1.00 31.31 H new ATOM 0 HG LEU A 89 23.208 -0.528 20.944 1.00 52.24 H new ATOM 0 HD11 LEU A 89 25.109 -2.069 20.542 1.00 72.30 H new ATOM 0 HD12 LEU A 89 25.589 -0.683 21.550 1.00 72.30 H new ATOM 0 HD13 LEU A 89 25.308 -2.274 22.298 1.00 72.30 H new ATOM 0 HD21 LEU A 89 22.813 -2.979 20.666 1.00 73.01 H new ATOM 0 HD22 LEU A 89 22.939 -3.188 22.429 1.00 73.01 H new ATOM 0 HD23 LEU A 89 21.600 -2.241 21.739 1.00 73.01 H new ATOM 1435 N ASN A 90 23.266 -0.466 26.210 1.00 22.24 N ATOM 1436 CA ASN A 90 23.096 0.225 27.479 1.00 13.40 C ATOM 1437 C ASN A 90 23.615 -0.642 28.606 1.00 13.42 C ATOM 1438 O ASN A 90 23.541 -1.836 28.481 1.00 53.14 O ATOM 1439 CB ASN A 90 21.620 0.546 27.721 1.00 14.11 C ATOM 1440 CG ASN A 90 21.146 1.615 26.748 1.00 13.14 C ATOM 1441 OD1 ASN A 90 21.478 2.797 26.907 1.00 72.21 O ATOM 1442 ND2 ASN A 90 20.393 1.285 25.746 1.00 54.13 N ATOM 1443 OXT ASN A 90 24.089 -0.107 29.569 1.00 13.42 O ATOM 0 H ASN A 90 22.571 -1.192 26.034 1.00 22.24 H new ATOM 0 HA ASN A 90 23.658 1.158 27.445 1.00 13.40 H new ATOM 0 HB2 ASN A 90 21.020 -0.356 27.601 1.00 14.11 H new ATOM 0 HB3 ASN A 90 21.479 0.889 28.746 1.00 14.11 H new ATOM 0 HD21 ASN A 90 20.075 1.999 25.090 1.00 54.13 H new ATOM 0 HD22 ASN A 90 20.118 0.312 25.613 1.00 54.13 H new TER 1450 ASN A 90