USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=25 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 19 THR OG1 : rot 20:sc= 1.16 USER MOD Set 1.2: A 78 TYR OH : rot -68:sc= 1.05 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0.0542 USER MOD Set 2.2: A 67 SER OG : rot -168:sc= 0.392 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.089 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 84:sc= 1.21 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.82 F(o=-7.5!,f=-0.82) USER MOD Single : A 17 MET CE :methyl -133:sc= -0.0364 (180deg=-0.541) USER MOD Single : A 18 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.03) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -127:sc= -1.97 (180deg=-5.74!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -1.56! USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= -0.036 (180deg=-0.377) USER MOD Single : A 38 MET CE :methyl -147:sc= -6.46! (180deg=-10.5!) USER MOD Single : A 43 TYR OH : rot 110:sc= -0.104 USER MOD Single : A 50 GLN : amide:sc= -2.24! K(o=-2.2!,f=-5.4) USER MOD Single : A 51 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.41) USER MOD Single : A 56 GLN : amide:sc= 0.215 K(o=0.21,f=-0.44) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 66 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.00013) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -7.84! C(o=-8.7!,f=-7.8!) USER MOD Single : A 72 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.016) USER MOD Single : A 73 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.1!) USER MOD Single : A 76 SER OG : rot -61:sc= 0.936 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.129 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.488 F(o=-1.5!,f=-0.49) USER MOD Single : A 87 THR OG1 : rot 131:sc= -0.292! USER MOD Single : A 88 SER OG : rot 64:sc= 1.02 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.802 F(o=-2.3!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.472 -7.236 -5.013 1.00 3.24 N ATOM 2 CA MET A 1 6.008 -5.924 -5.435 1.00 12.54 C ATOM 3 C MET A 1 6.953 -5.434 -4.352 1.00 41.00 C ATOM 4 O MET A 1 6.824 -5.824 -3.190 1.00 41.40 O ATOM 5 CB MET A 1 4.857 -4.909 -5.614 1.00 64.21 C ATOM 6 CG MET A 1 4.621 -4.623 -7.106 1.00 31.12 C ATOM 7 SD MET A 1 4.833 -2.852 -7.413 1.00 74.30 S ATOM 8 CE MET A 1 3.125 -2.484 -7.885 1.00 21.22 C ATOM 0 H1 MET A 1 4.455 -7.281 -5.227 1.00 3.24 H new ATOM 0 H2 MET A 1 5.967 -7.994 -5.524 1.00 3.24 H new ATOM 0 H3 MET A 1 5.616 -7.357 -3.990 1.00 3.24 H new ATOM 0 HA MET A 1 6.531 -6.024 -6.386 1.00 12.54 H new ATOM 0 HB2 MET A 1 3.945 -5.301 -5.164 1.00 64.21 H new ATOM 0 HB3 MET A 1 5.097 -3.982 -5.093 1.00 64.21 H new ATOM 0 HG2 MET A 1 5.321 -5.196 -7.714 1.00 31.12 H new ATOM 0 HG3 MET A 1 3.618 -4.937 -7.395 1.00 31.12 H new ATOM 0 HE1 MET A 1 3.033 -1.424 -8.120 1.00 21.22 H new ATOM 0 HE2 MET A 1 2.854 -3.074 -8.760 1.00 21.22 H new ATOM 0 HE3 MET A 1 2.458 -2.732 -7.059 1.00 21.22 H new ATOM 20 N PRO A 2 7.814 -4.496 -4.671 1.00 54.43 N ATOM 21 CA PRO A 2 8.732 -3.878 -3.668 1.00 61.14 C ATOM 22 C PRO A 2 7.941 -3.261 -2.534 1.00 54.42 C ATOM 23 O PRO A 2 8.456 -3.055 -1.438 1.00 70.24 O ATOM 24 CB PRO A 2 9.474 -2.799 -4.461 1.00 31.13 C ATOM 25 CG PRO A 2 9.377 -3.244 -5.884 1.00 35.04 C ATOM 26 CD PRO A 2 8.013 -3.919 -6.013 1.00 21.25 C ATOM 0 HA PRO A 2 9.408 -4.601 -3.212 1.00 61.14 H new ATOM 0 HB2 PRO A 2 9.018 -1.819 -4.320 1.00 31.13 H new ATOM 0 HB3 PRO A 2 10.513 -2.716 -4.141 1.00 31.13 H new ATOM 0 HG2 PRO A 2 9.461 -2.398 -6.566 1.00 35.04 H new ATOM 0 HG3 PRO A 2 10.182 -3.936 -6.134 1.00 35.04 H new ATOM 0 HD2 PRO A 2 7.230 -3.205 -6.268 1.00 21.25 H new ATOM 0 HD3 PRO A 2 8.011 -4.685 -6.788 1.00 21.25 H new ATOM 34 N THR A 3 6.675 -3.020 -2.789 1.00 60.23 N ATOM 35 CA THR A 3 5.792 -2.495 -1.784 1.00 34.02 C ATOM 36 C THR A 3 5.748 -3.447 -0.594 1.00 24.54 C ATOM 37 O THR A 3 5.687 -3.007 0.565 1.00 23.13 O ATOM 38 CB THR A 3 4.394 -2.308 -2.382 1.00 41.34 C ATOM 39 OG1 THR A 3 4.017 -3.496 -3.083 1.00 64.32 O ATOM 40 CG2 THR A 3 4.402 -1.127 -3.356 1.00 33.11 C ATOM 0 H THR A 3 6.235 -3.183 -3.695 1.00 60.23 H new ATOM 0 HA THR A 3 6.157 -1.527 -1.439 1.00 34.02 H new ATOM 0 HB THR A 3 3.682 -2.111 -1.581 1.00 41.34 H new ATOM 0 HG1 THR A 3 3.122 -3.380 -3.465 1.00 64.32 H new ATOM 0 HG21 THR A 3 3.406 -0.998 -3.779 1.00 33.11 H new ATOM 0 HG22 THR A 3 4.692 -0.220 -2.826 1.00 33.11 H new ATOM 0 HG23 THR A 3 5.114 -1.322 -4.158 1.00 33.11 H new ATOM 48 N GLN A 4 5.906 -4.744 -0.870 1.00 24.52 N ATOM 49 CA GLN A 4 6.013 -5.743 0.186 1.00 33.21 C ATOM 50 C GLN A 4 7.386 -6.370 0.203 1.00 75.12 C ATOM 51 O GLN A 4 7.999 -6.590 -0.841 1.00 45.13 O ATOM 52 CB GLN A 4 4.969 -6.851 0.038 1.00 50.20 C ATOM 53 CG GLN A 4 3.580 -6.319 0.371 1.00 63.15 C ATOM 54 CD GLN A 4 2.581 -7.461 0.293 1.00 61.42 C ATOM 55 OE1 GLN A 4 2.384 -8.185 1.277 1.00 73.13 O ATOM 56 NE2 GLN A 4 1.952 -7.683 -0.812 1.00 13.31 N ATOM 0 H GLN A 4 5.962 -5.122 -1.816 1.00 24.52 H new ATOM 0 HA GLN A 4 5.835 -5.217 1.124 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.983 -7.239 -0.981 1.00 50.20 H new ATOM 0 HB3 GLN A 4 5.215 -7.682 0.699 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.574 -5.881 1.369 1.00 63.15 H new ATOM 0 HG3 GLN A 4 3.303 -5.528 -0.326 1.00 63.15 H new ATOM 0 HE21 GLN A 4 2.116 -7.085 -1.621 1.00 13.31 H new ATOM 0 HE22 GLN A 4 1.291 -8.457 -0.876 1.00 13.31 H new ATOM 65 N ASP A 5 7.797 -6.767 1.379 1.00 70.34 N ATOM 66 CA ASP A 5 9.017 -7.518 1.571 1.00 52.01 C ATOM 67 C ASP A 5 8.668 -8.988 1.600 1.00 14.04 C ATOM 68 O ASP A 5 7.519 -9.358 1.303 1.00 34.30 O ATOM 69 CB ASP A 5 9.685 -7.093 2.885 1.00 72.04 C ATOM 70 CG ASP A 5 10.567 -5.888 2.647 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.058 -4.877 2.202 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.738 -5.982 2.907 1.00 71.24 O ATOM 0 H ASP A 5 7.290 -6.577 2.243 1.00 70.34 H new ATOM 0 HA ASP A 5 9.717 -7.325 0.758 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.925 -6.857 3.630 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.278 -7.916 3.284 1.00 72.04 H new ATOM 77 N ILE A 6 9.601 -9.826 2.000 1.00 61.21 N ATOM 78 CA ILE A 6 9.320 -11.243 2.124 1.00 73.32 C ATOM 79 C ILE A 6 9.613 -11.713 3.536 1.00 11.45 C ATOM 80 O ILE A 6 10.419 -11.109 4.251 1.00 13.11 O ATOM 81 CB ILE A 6 10.118 -12.076 1.112 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.623 -11.946 1.363 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.809 -11.594 -0.308 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.345 -12.983 0.512 1.00 10.12 C ATOM 0 H ILE A 6 10.554 -9.555 2.243 1.00 61.21 H new ATOM 0 HA ILE A 6 8.262 -11.388 1.907 1.00 73.32 H new ATOM 0 HB ILE A 6 9.829 -13.121 1.227 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.964 -10.943 1.108 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.846 -12.100 2.419 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.377 -12.187 -1.025 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.743 -11.707 -0.507 1.00 61.31 H new ATOM 0 HG23 ILE A 6 10.087 -10.544 -0.404 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.420 -12.905 0.678 1.00 10.12 H new ATOM 0 HD12 ILE A 6 12.006 -13.981 0.790 1.00 10.12 H new ATOM 0 HD13 ILE A 6 12.127 -12.805 -0.541 1.00 10.12 H new ATOM 96 N ARG A 7 8.938 -12.775 3.939 1.00 43.32 N ATOM 97 CA ARG A 7 9.095 -13.307 5.279 1.00 44.44 C ATOM 98 C ARG A 7 10.142 -14.403 5.253 1.00 14.40 C ATOM 99 O ARG A 7 9.989 -15.384 4.527 1.00 73.14 O ATOM 100 CB ARG A 7 7.756 -13.886 5.753 1.00 13.53 C ATOM 101 CG ARG A 7 6.634 -12.845 5.563 1.00 74.33 C ATOM 102 CD ARG A 7 6.709 -11.771 6.653 1.00 62.21 C ATOM 103 NE ARG A 7 6.290 -12.327 7.933 1.00 62.41 N ATOM 104 CZ ARG A 7 5.000 -12.401 8.275 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.084 -11.949 7.464 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.657 -12.916 9.418 1.00 33.44 N ATOM 0 H ARG A 7 8.275 -13.286 3.356 1.00 43.32 H new ATOM 0 HA ARG A 7 9.408 -12.516 5.960 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.523 -14.791 5.192 1.00 13.53 H new ATOM 0 HB3 ARG A 7 7.825 -14.171 6.803 1.00 13.53 H new ATOM 0 HG2 ARG A 7 6.723 -12.381 4.581 1.00 74.33 H new ATOM 0 HG3 ARG A 7 5.663 -13.338 5.596 1.00 74.33 H new ATOM 0 HD2 ARG A 7 7.727 -11.390 6.729 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.072 -10.927 6.388 1.00 62.21 H new ATOM 0 HE ARG A 7 6.998 -12.668 8.583 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.352 -11.539 6.569 1.00 41.23 H new ATOM 0 HH12 ARG A 7 3.099 -12.005 7.725 1.00 41.23 H new ATOM 0 HH21 ARG A 7 5.373 -13.264 10.056 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.672 -12.972 9.677 1.00 33.44 H new ATOM 120 N LEU A 8 11.209 -14.216 6.012 1.00 14.31 N ATOM 121 CA LEU A 8 12.306 -15.167 6.047 1.00 32.33 C ATOM 122 C LEU A 8 12.391 -15.812 7.414 1.00 71.45 C ATOM 123 O LEU A 8 12.479 -15.116 8.439 1.00 32.14 O ATOM 124 CB LEU A 8 13.630 -14.447 5.708 1.00 51.41 C ATOM 125 CG LEU A 8 14.812 -15.439 5.545 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.455 -15.722 6.902 1.00 43.15 C ATOM 127 CD2 LEU A 8 14.362 -16.757 4.898 1.00 70.54 C ATOM 0 H LEU A 8 11.338 -13.406 6.618 1.00 14.31 H new ATOM 0 HA LEU A 8 12.129 -15.947 5.307 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.506 -13.878 4.787 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.865 -13.731 6.496 1.00 51.41 H new ATOM 0 HG LEU A 8 15.544 -14.973 4.885 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.283 -16.419 6.774 1.00 43.15 H new ATOM 0 HD12 LEU A 8 15.827 -14.791 7.329 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.714 -16.158 7.572 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.218 -17.425 4.801 1.00 70.54 H new ATOM 0 HD22 LEU A 8 13.603 -17.228 5.522 1.00 70.54 H new ATOM 0 HD23 LEU A 8 13.946 -16.554 3.911 1.00 70.54 H new ATOM 139 N TRP A 9 12.373 -17.133 7.439 1.00 31.14 N ATOM 140 CA TRP A 9 12.470 -17.860 8.698 1.00 63.14 C ATOM 141 C TRP A 9 13.910 -18.212 8.951 1.00 61.44 C ATOM 142 O TRP A 9 14.567 -18.784 8.075 1.00 73.50 O ATOM 143 CB TRP A 9 11.679 -19.164 8.628 1.00 41.11 C ATOM 144 CG TRP A 9 10.362 -18.959 7.963 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.699 -17.788 7.861 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.552 -19.946 7.294 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.519 -18.007 7.178 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.385 -19.327 6.808 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.718 -21.313 7.074 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.414 -20.047 6.122 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.755 -22.043 6.382 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.598 -21.412 5.905 1.00 21.20 C ATOM 0 H TRP A 9 12.293 -17.723 6.611 1.00 31.14 H new ATOM 0 HA TRP A 9 12.071 -17.229 9.492 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.253 -19.912 8.081 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.525 -19.554 9.634 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.035 -16.838 8.249 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.832 -17.281 6.973 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.602 -21.811 7.444 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.524 -19.553 5.760 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.900 -23.100 6.212 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.851 -21.981 5.371 1.00 21.20 H new ATOM 163 N VAL A 10 14.387 -17.960 10.146 1.00 73.13 N ATOM 164 CA VAL A 10 15.744 -18.320 10.475 1.00 21.41 C ATOM 165 C VAL A 10 15.757 -19.410 11.525 1.00 54.12 C ATOM 166 O VAL A 10 15.252 -19.221 12.633 1.00 12.11 O ATOM 167 CB VAL A 10 16.515 -17.100 10.986 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.022 -17.315 10.804 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.079 -15.843 10.228 1.00 2.31 C ATOM 0 H VAL A 10 13.863 -17.513 10.898 1.00 73.13 H new ATOM 0 HA VAL A 10 16.229 -18.689 9.571 1.00 21.41 H new ATOM 0 HB VAL A 10 16.297 -16.970 12.046 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.561 -16.441 11.171 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.334 -18.196 11.365 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.244 -17.461 9.747 1.00 72.42 H new ATOM 0 HG21 VAL A 10 16.635 -14.982 10.601 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.280 -15.972 9.164 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.012 -15.679 10.379 1.00 2.31 H new ATOM 179 N SER A 11 16.432 -20.489 11.213 1.00 71.44 N ATOM 180 CA SER A 11 16.635 -21.559 12.159 1.00 32.15 C ATOM 181 C SER A 11 17.911 -21.243 12.917 1.00 55.14 C ATOM 182 O SER A 11 18.956 -21.093 12.301 1.00 33.30 O ATOM 183 CB SER A 11 16.788 -22.883 11.400 1.00 73.42 C ATOM 184 OG SER A 11 16.072 -22.805 10.152 1.00 53.13 O ATOM 0 H SER A 11 16.855 -20.650 10.299 1.00 71.44 H new ATOM 0 HA SER A 11 15.793 -21.650 12.845 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.842 -23.089 11.215 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.403 -23.706 12.002 1.00 73.42 H new ATOM 0 HG SER A 11 16.637 -22.374 9.477 1.00 53.13 H new ATOM 190 N VAL A 12 17.799 -20.966 14.199 1.00 44.50 N ATOM 191 CA VAL A 12 18.932 -20.458 14.947 1.00 65.33 C ATOM 192 C VAL A 12 19.369 -21.451 15.999 1.00 31.54 C ATOM 193 O VAL A 12 18.544 -21.946 16.765 1.00 45.10 O ATOM 194 CB VAL A 12 18.545 -19.130 15.629 1.00 22.42 C ATOM 195 CG1 VAL A 12 19.656 -18.662 16.577 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.262 -18.045 14.581 1.00 44.14 C ATOM 0 H VAL A 12 16.943 -21.082 14.742 1.00 44.50 H new ATOM 0 HA VAL A 12 19.758 -20.295 14.255 1.00 65.33 H new ATOM 0 HB VAL A 12 17.639 -19.303 16.210 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.362 -17.724 17.047 1.00 53.10 H new ATOM 0 HG12 VAL A 12 19.820 -19.417 17.346 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.577 -18.512 16.013 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.991 -17.116 15.083 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.153 -17.883 13.975 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.440 -18.364 13.940 1.00 44.14 H new ATOM 206 N GLU A 13 20.667 -21.688 16.069 1.00 65.32 N ATOM 207 CA GLU A 13 21.256 -22.528 17.110 1.00 15.40 C ATOM 208 C GLU A 13 22.296 -21.746 17.882 1.00 23.23 C ATOM 209 O GLU A 13 23.097 -21.019 17.284 1.00 42.34 O ATOM 210 CB GLU A 13 21.892 -23.772 16.501 1.00 20.03 C ATOM 211 CG GLU A 13 20.801 -24.711 15.975 1.00 1.01 C ATOM 212 CD GLU A 13 21.420 -25.892 15.253 1.00 64.42 C ATOM 213 OE1 GLU A 13 22.624 -25.927 15.118 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.684 -26.752 14.846 1.00 34.31 O ATOM 0 H GLU A 13 21.346 -21.307 15.410 1.00 65.32 H new ATOM 0 HA GLU A 13 20.463 -22.839 17.790 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.562 -23.488 15.690 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.496 -24.285 17.249 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.187 -25.065 16.803 1.00 1.01 H new ATOM 0 HG3 GLU A 13 20.141 -24.168 15.298 1.00 1.01 H new ATOM 221 N ASP A 14 22.313 -21.912 19.203 1.00 22.33 N ATOM 222 CA ASP A 14 23.294 -21.217 20.029 1.00 31.53 C ATOM 223 C ASP A 14 24.579 -22.019 20.142 1.00 2.03 C ATOM 224 O ASP A 14 24.716 -23.085 19.528 1.00 12.43 O ATOM 225 CB ASP A 14 22.736 -20.837 21.429 1.00 1.42 C ATOM 226 CG ASP A 14 22.611 -22.027 22.382 1.00 22.13 C ATOM 227 OD1 ASP A 14 23.129 -23.090 22.088 1.00 24.52 O ATOM 228 OD2 ASP A 14 22.004 -21.840 23.423 1.00 34.20 O ATOM 0 H ASP A 14 21.668 -22.513 19.717 1.00 22.33 H new ATOM 0 HA ASP A 14 23.523 -20.279 19.524 1.00 31.53 H new ATOM 0 HB2 ASP A 14 23.388 -20.088 21.880 1.00 1.42 H new ATOM 0 HB3 ASP A 14 21.756 -20.375 21.307 1.00 1.42 H new ATOM 233 N ALA A 15 25.538 -21.491 20.886 1.00 64.23 N ATOM 234 CA ALA A 15 26.852 -22.120 21.006 1.00 62.10 C ATOM 235 C ALA A 15 26.741 -23.552 21.506 1.00 0.30 C ATOM 236 O ALA A 15 27.570 -24.403 21.176 1.00 4.10 O ATOM 237 CB ALA A 15 27.744 -21.319 21.943 1.00 72.21 C ATOM 0 H ALA A 15 25.435 -20.627 21.418 1.00 64.23 H new ATOM 0 HA ALA A 15 27.297 -22.137 20.011 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.718 -21.802 22.020 1.00 72.21 H new ATOM 0 HB2 ALA A 15 27.870 -20.310 21.551 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.284 -21.270 22.930 1.00 72.21 H new ATOM 243 N GLN A 16 25.710 -23.813 22.270 1.00 3.31 N ATOM 244 CA GLN A 16 25.447 -25.137 22.800 1.00 70.51 C ATOM 245 C GLN A 16 24.534 -25.900 21.860 1.00 44.44 C ATOM 246 O GLN A 16 24.041 -26.977 22.193 1.00 43.52 O ATOM 247 CB GLN A 16 24.826 -25.031 24.193 1.00 25.04 C ATOM 248 CG GLN A 16 25.821 -24.333 25.136 1.00 60.51 C ATOM 249 CD GLN A 16 25.687 -22.813 25.054 1.00 52.33 C ATOM 250 OE1 GLN A 16 24.808 -22.277 24.260 1.00 42.31 O flip ATOM 251 NE2 GLN A 16 26.414 -22.091 25.743 1.00 32.13 N flip ATOM 0 H GLN A 16 25.023 -23.112 22.546 1.00 3.31 H new ATOM 0 HA GLN A 16 26.387 -25.682 22.884 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.894 -24.468 24.147 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.581 -26.023 24.572 1.00 25.04 H new ATOM 0 HG2 GLN A 16 25.646 -24.661 26.161 1.00 60.51 H new ATOM 0 HG3 GLN A 16 26.838 -24.626 24.876 1.00 60.51 H new ATOM 0 HE21 GLN A 16 27.104 -22.509 26.367 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.324 -21.076 25.689 1.00 32.13 H new ATOM 260 N MET A 17 24.305 -25.326 20.690 1.00 5.31 N ATOM 261 CA MET A 17 23.462 -25.921 19.669 1.00 12.12 C ATOM 262 C MET A 17 21.999 -25.914 20.088 1.00 54.32 C ATOM 263 O MET A 17 21.172 -26.587 19.473 1.00 30.13 O ATOM 264 CB MET A 17 23.923 -27.349 19.328 1.00 21.12 C ATOM 265 CG MET A 17 25.302 -27.295 18.652 1.00 2.23 C ATOM 266 SD MET A 17 25.828 -28.975 18.199 1.00 25.23 S ATOM 267 CE MET A 17 26.221 -29.564 19.867 1.00 74.04 C ATOM 0 H MET A 17 24.703 -24.426 20.421 1.00 5.31 H new ATOM 0 HA MET A 17 23.558 -25.312 18.770 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.974 -27.952 20.234 1.00 21.12 H new ATOM 0 HB3 MET A 17 23.201 -27.828 18.667 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.258 -26.665 17.763 1.00 2.23 H new ATOM 0 HG3 MET A 17 26.031 -26.845 19.326 1.00 2.23 H new ATOM 0 HE1 MET A 17 27.191 -30.062 19.858 1.00 74.04 H new ATOM 0 HE2 MET A 17 26.254 -28.718 20.553 1.00 74.04 H new ATOM 0 HE3 MET A 17 25.455 -30.267 20.194 1.00 74.04 H new ATOM 277 N HIS A 18 21.656 -25.074 21.060 1.00 43.51 N ATOM 278 CA HIS A 18 20.255 -24.899 21.443 1.00 22.43 C ATOM 279 C HIS A 18 19.572 -24.106 20.357 1.00 34.12 C ATOM 280 O HIS A 18 20.120 -23.102 19.903 1.00 31.44 O ATOM 281 CB HIS A 18 20.141 -24.153 22.779 1.00 70.50 C ATOM 282 CG HIS A 18 18.858 -24.525 23.467 1.00 40.41 C ATOM 283 ND1 HIS A 18 17.991 -23.572 23.984 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.282 -25.740 23.737 1.00 21.11 C ATOM 285 CE1 HIS A 18 16.951 -24.227 24.531 1.00 21.41 C ATOM 286 NE2 HIS A 18 17.078 -25.551 24.407 1.00 74.45 N ATOM 0 H HIS A 18 22.318 -24.509 21.592 1.00 43.51 H new ATOM 0 HA HIS A 18 19.784 -25.875 21.565 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.990 -24.400 23.416 1.00 70.50 H new ATOM 0 HB3 HIS A 18 20.173 -23.077 22.608 1.00 70.50 H new ATOM 0 HD2 HIS A 18 18.700 -26.699 23.470 1.00 21.11 H new ATOM 0 HE1 HIS A 18 16.115 -23.741 25.012 1.00 21.41 H new ATOM 0 HE2 HIS A 18 16.431 -26.269 24.733 1.00 74.45 H new ATOM 295 N THR A 19 18.469 -24.621 19.830 1.00 71.41 N ATOM 296 CA THR A 19 17.877 -24.012 18.659 1.00 41.11 C ATOM 297 C THR A 19 16.665 -23.139 18.960 1.00 2.13 C ATOM 298 O THR A 19 15.736 -23.548 19.663 1.00 64.45 O ATOM 299 CB THR A 19 17.559 -25.057 17.576 1.00 2.14 C ATOM 300 OG1 THR A 19 17.299 -24.385 16.342 1.00 11.24 O ATOM 301 CG2 THR A 19 16.331 -25.886 17.976 1.00 20.53 C ATOM 0 H THR A 19 17.979 -25.441 20.189 1.00 71.41 H new ATOM 0 HA THR A 19 18.638 -23.335 18.270 1.00 41.11 H new ATOM 0 HB THR A 19 18.411 -25.727 17.465 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.682 -23.484 16.373 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.119 -26.621 17.199 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.529 -26.399 18.917 1.00 20.53 H new ATOM 0 HG23 THR A 19 15.471 -25.227 18.097 1.00 20.53 H new ATOM 309 N VAL A 20 16.621 -22.006 18.283 1.00 62.44 N ATOM 310 CA VAL A 20 15.481 -21.114 18.285 1.00 2.05 C ATOM 311 C VAL A 20 15.173 -20.724 16.840 1.00 1.51 C ATOM 312 O VAL A 20 16.022 -20.887 15.955 1.00 15.42 O ATOM 313 CB VAL A 20 15.763 -19.856 19.138 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.953 -20.247 20.604 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.030 -19.151 18.645 1.00 52.53 C ATOM 0 H VAL A 20 17.394 -21.675 17.705 1.00 62.44 H new ATOM 0 HA VAL A 20 14.622 -21.620 18.727 1.00 2.05 H new ATOM 0 HB VAL A 20 14.912 -19.182 19.044 1.00 22.23 H new ATOM 0 HG11 VAL A 20 16.151 -19.354 21.196 1.00 41.33 H new ATOM 0 HG12 VAL A 20 15.049 -20.733 20.971 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.795 -20.934 20.691 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.215 -18.267 19.255 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.879 -19.831 18.723 1.00 52.53 H new ATOM 0 HG23 VAL A 20 16.899 -18.853 17.605 1.00 52.53 H new ATOM 325 N THR A 21 13.980 -20.243 16.594 1.00 63.53 N ATOM 326 CA THR A 21 13.598 -19.821 15.261 1.00 44.25 C ATOM 327 C THR A 21 13.147 -18.379 15.291 1.00 12.41 C ATOM 328 O THR A 21 12.308 -18.010 16.113 1.00 11.33 O ATOM 329 CB THR A 21 12.478 -20.708 14.706 1.00 65.22 C ATOM 330 OG1 THR A 21 12.934 -22.056 14.623 1.00 25.54 O ATOM 331 CG2 THR A 21 12.059 -20.220 13.311 1.00 10.42 C ATOM 0 H THR A 21 13.251 -20.132 17.299 1.00 63.53 H new ATOM 0 HA THR A 21 14.465 -19.917 14.607 1.00 44.25 H new ATOM 0 HB THR A 21 11.618 -20.654 15.374 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.217 -22.623 14.270 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.263 -20.857 12.926 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.701 -19.193 13.377 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.915 -20.263 12.638 1.00 10.42 H new ATOM 339 N ILE A 22 13.660 -17.580 14.372 1.00 41.12 N ATOM 340 CA ILE A 22 13.237 -16.196 14.264 1.00 63.41 C ATOM 341 C ILE A 22 12.782 -15.903 12.849 1.00 15.43 C ATOM 342 O ILE A 22 13.221 -16.560 11.892 1.00 50.41 O ATOM 343 CB ILE A 22 14.362 -15.229 14.683 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.570 -15.388 13.755 1.00 65.05 C ATOM 345 CG2 ILE A 22 14.793 -15.533 16.121 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.597 -14.291 14.055 1.00 75.44 C ATOM 0 H ILE A 22 14.366 -17.864 13.693 1.00 41.12 H new ATOM 0 HA ILE A 22 12.401 -16.042 14.946 1.00 63.41 H new ATOM 0 HB ILE A 22 13.988 -14.207 14.616 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.021 -16.370 13.894 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.252 -15.328 12.714 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.588 -14.848 16.415 1.00 31.40 H new ATOM 0 HG22 ILE A 22 13.941 -15.409 16.790 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.156 -16.559 16.183 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.456 -14.406 13.394 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.143 -13.313 13.893 1.00 75.44 H new ATOM 0 HD13 ILE A 22 16.924 -14.372 15.092 1.00 75.44 H new ATOM 358 N TRP A 23 11.913 -14.926 12.716 1.00 51.20 N ATOM 359 CA TRP A 23 11.401 -14.537 11.421 1.00 45.54 C ATOM 360 C TRP A 23 11.919 -13.167 11.057 1.00 3.15 C ATOM 361 O TRP A 23 11.759 -12.209 11.830 1.00 71.12 O ATOM 362 CB TRP A 23 9.866 -14.528 11.439 1.00 14.21 C ATOM 363 CG TRP A 23 9.361 -15.930 11.548 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.815 -16.630 10.536 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.349 -16.807 12.707 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.477 -17.884 10.994 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.785 -18.043 12.328 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.772 -16.652 14.039 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.642 -19.090 13.234 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.629 -17.704 14.955 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.067 -18.920 14.553 1.00 12.23 C ATOM 0 H TRP A 23 11.544 -14.382 13.496 1.00 51.20 H new ATOM 0 HA TRP A 23 11.739 -15.258 10.676 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.505 -13.934 12.278 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.484 -14.062 10.531 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.666 -16.267 9.530 1.00 44.21 H new ATOM 0 HE1 TRP A 23 8.050 -18.608 10.416 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.209 -15.718 14.358 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.206 -20.026 12.919 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 9.955 -17.575 15.977 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.962 -19.727 15.263 1.00 12.23 H new ATOM 382 N LEU A 24 12.494 -13.059 9.876 1.00 44.10 N ATOM 383 CA LEU A 24 12.984 -11.789 9.379 1.00 40.20 C ATOM 384 C LEU A 24 12.222 -11.402 8.139 1.00 52.40 C ATOM 385 O LEU A 24 11.985 -12.240 7.264 1.00 21.24 O ATOM 386 CB LEU A 24 14.484 -11.860 9.066 1.00 70.54 C ATOM 387 CG LEU A 24 15.266 -12.254 10.329 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.751 -12.364 9.998 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.078 -11.190 11.407 1.00 21.54 C ATOM 0 H LEU A 24 12.634 -13.842 9.238 1.00 44.10 H new ATOM 0 HA LEU A 24 12.833 -11.036 10.153 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.665 -12.587 8.275 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.833 -10.895 8.698 1.00 70.54 H new ATOM 0 HG LEU A 24 14.895 -13.213 10.691 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.304 -12.643 10.895 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.897 -13.124 9.230 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.114 -11.404 9.632 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.635 -11.475 12.300 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.446 -10.232 11.040 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.019 -11.103 11.652 1.00 21.54 H new ATOM 401 N THR A 25 11.854 -10.148 8.045 1.00 32.11 N ATOM 402 CA THR A 25 11.143 -9.673 6.884 1.00 20.03 C ATOM 403 C THR A 25 12.062 -8.773 6.073 1.00 15.11 C ATOM 404 O THR A 25 12.548 -7.754 6.577 1.00 30.42 O ATOM 405 CB THR A 25 9.890 -8.921 7.323 1.00 11.33 C ATOM 406 OG1 THR A 25 9.301 -9.624 8.423 1.00 74.12 O ATOM 407 CG2 THR A 25 8.888 -8.875 6.162 1.00 51.01 C ATOM 0 H THR A 25 12.034 -9.440 8.756 1.00 32.11 H new ATOM 0 HA THR A 25 10.836 -10.513 6.261 1.00 20.03 H new ATOM 0 HB THR A 25 10.149 -7.904 7.618 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.495 -9.152 8.719 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.993 -8.338 6.475 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.339 -8.363 5.312 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.619 -9.891 5.873 1.00 51.01 H new ATOM 415 N VAL A 26 12.363 -9.190 4.859 1.00 24.42 N ATOM 416 CA VAL A 26 13.304 -8.479 4.005 1.00 0.53 C ATOM 417 C VAL A 26 12.917 -8.642 2.551 1.00 14.44 C ATOM 418 O VAL A 26 11.885 -9.216 2.250 1.00 61.52 O ATOM 419 CB VAL A 26 14.729 -9.013 4.228 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.228 -8.601 5.609 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.742 -10.546 4.121 1.00 64.00 C ATOM 0 H VAL A 26 11.966 -10.028 4.435 1.00 24.42 H new ATOM 0 HA VAL A 26 13.276 -7.420 4.262 1.00 0.53 H new ATOM 0 HB VAL A 26 15.383 -8.592 3.464 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.238 -8.983 5.760 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.236 -7.514 5.683 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.567 -9.012 6.372 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.756 -10.913 4.281 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.080 -10.969 4.876 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.400 -10.844 3.130 1.00 64.00 H new ATOM 431 N ARG A 27 13.799 -8.230 1.661 1.00 33.21 N ATOM 432 CA ARG A 27 13.610 -8.430 0.240 1.00 4.21 C ATOM 433 C ARG A 27 14.716 -9.353 -0.276 1.00 3.32 C ATOM 434 O ARG A 27 15.846 -9.274 0.200 1.00 72.11 O ATOM 435 CB ARG A 27 13.637 -7.071 -0.496 1.00 30.33 C ATOM 436 CG ARG A 27 14.913 -6.274 -0.136 1.00 13.41 C ATOM 437 CD ARG A 27 14.728 -5.489 1.185 1.00 0.42 C ATOM 438 NE ARG A 27 13.360 -5.002 1.347 1.00 5.44 N ATOM 439 CZ ARG A 27 12.938 -3.856 0.819 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.755 -3.109 0.129 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.715 -3.479 1.003 1.00 23.52 N ATOM 0 H ARG A 27 14.665 -7.748 1.903 1.00 33.21 H new ATOM 0 HA ARG A 27 12.640 -8.891 0.052 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.598 -7.235 -1.573 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.754 -6.491 -0.229 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.757 -6.957 -0.041 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.152 -5.582 -0.943 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.986 -6.131 2.027 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.418 -4.645 1.205 1.00 0.42 H new ATOM 0 HE ARG A 27 12.702 -5.564 1.887 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.722 -3.403 -0.008 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.427 -2.231 -0.274 1.00 55.30 H new ATOM 0 HH21 ARG A 27 11.079 -4.059 1.551 1.00 23.52 H new ATOM 0 HH22 ARG A 27 11.386 -2.601 0.601 1.00 23.52 H new ATOM 455 N PRO A 28 14.436 -10.208 -1.239 1.00 70.42 N ATOM 456 CA PRO A 28 15.473 -11.148 -1.789 1.00 2.44 C ATOM 457 C PRO A 28 16.681 -10.385 -2.287 1.00 10.52 C ATOM 458 O PRO A 28 17.793 -10.918 -2.357 1.00 73.22 O ATOM 459 CB PRO A 28 14.757 -11.824 -2.963 1.00 63.31 C ATOM 460 CG PRO A 28 13.309 -11.723 -2.644 1.00 53.01 C ATOM 461 CD PRO A 28 13.130 -10.378 -1.921 1.00 50.41 C ATOM 0 HA PRO A 28 15.840 -11.852 -1.042 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.989 -11.327 -3.905 1.00 63.31 H new ATOM 0 HB3 PRO A 28 15.066 -12.864 -3.067 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.706 -11.762 -3.551 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.989 -12.552 -2.012 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.927 -9.565 -2.619 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.302 -10.404 -1.213 1.00 50.41 H new ATOM 469 N ASP A 29 16.442 -9.130 -2.616 1.00 21.24 N ATOM 470 CA ASP A 29 17.471 -8.222 -3.091 1.00 42.34 C ATOM 471 C ASP A 29 18.529 -7.994 -2.021 1.00 22.22 C ATOM 472 O ASP A 29 19.684 -7.733 -2.327 1.00 73.13 O ATOM 473 CB ASP A 29 16.843 -6.883 -3.490 1.00 0.01 C ATOM 474 CG ASP A 29 17.847 -6.036 -4.233 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.304 -6.469 -5.265 1.00 43.24 O ATOM 476 OD2 ASP A 29 18.148 -4.958 -3.764 1.00 21.43 O ATOM 0 H ASP A 29 15.516 -8.706 -2.561 1.00 21.24 H new ATOM 0 HA ASP A 29 17.949 -8.672 -3.961 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.968 -7.056 -4.117 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.499 -6.355 -2.601 1.00 0.01 H new ATOM 481 N MET A 30 18.107 -8.017 -0.767 1.00 31.25 N ATOM 482 CA MET A 30 19.008 -7.747 0.344 1.00 25.12 C ATOM 483 C MET A 30 20.240 -8.612 0.311 1.00 64.13 C ATOM 484 O MET A 30 20.254 -9.698 -0.265 1.00 62.13 O ATOM 485 CB MET A 30 18.312 -7.894 1.696 1.00 2.42 C ATOM 486 CG MET A 30 17.897 -6.520 2.220 1.00 11.34 C ATOM 487 SD MET A 30 17.076 -6.727 3.816 1.00 52.43 S ATOM 488 CE MET A 30 18.535 -7.237 4.760 1.00 61.23 C ATOM 0 H MET A 30 17.146 -8.220 -0.492 1.00 31.25 H new ATOM 0 HA MET A 30 19.319 -6.709 0.223 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.436 -8.534 1.596 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.981 -8.378 2.408 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.771 -5.877 2.326 1.00 11.34 H new ATOM 0 HG3 MET A 30 17.227 -6.033 1.512 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.325 -8.173 5.277 1.00 61.23 H new ATOM 0 HE2 MET A 30 19.376 -7.378 4.082 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.783 -6.467 5.491 1.00 61.23 H new ATOM 498 N THR A 31 21.247 -8.130 0.987 1.00 12.23 N ATOM 499 CA THR A 31 22.495 -8.805 1.132 1.00 31.41 C ATOM 500 C THR A 31 22.490 -9.582 2.448 1.00 44.04 C ATOM 501 O THR A 31 21.889 -9.133 3.442 1.00 12.01 O ATOM 502 CB THR A 31 23.612 -7.759 1.134 1.00 25.42 C ATOM 503 OG1 THR A 31 23.747 -7.170 -0.167 1.00 20.13 O ATOM 504 CG2 THR A 31 24.923 -8.386 1.555 1.00 40.23 C ATOM 0 H THR A 31 21.214 -7.229 1.464 1.00 12.23 H new ATOM 0 HA THR A 31 22.655 -9.504 0.311 1.00 31.41 H new ATOM 0 HB THR A 31 23.350 -6.979 1.849 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.464 -6.502 -0.151 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.707 -7.628 1.551 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.823 -8.799 2.559 1.00 40.23 H new ATOM 0 HG23 THR A 31 25.185 -9.183 0.859 1.00 40.23 H new ATOM 512 N VAL A 32 23.155 -10.723 2.468 1.00 60.15 N ATOM 513 CA VAL A 32 23.203 -11.544 3.668 1.00 10.31 C ATOM 514 C VAL A 32 23.843 -10.751 4.807 1.00 54.12 C ATOM 515 O VAL A 32 23.301 -10.694 5.912 1.00 54.33 O ATOM 516 CB VAL A 32 23.996 -12.829 3.387 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.083 -13.693 4.649 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.309 -13.616 2.266 1.00 24.05 C ATOM 0 H VAL A 32 23.668 -11.102 1.672 1.00 60.15 H new ATOM 0 HA VAL A 32 22.191 -11.821 3.963 1.00 10.31 H new ATOM 0 HB VAL A 32 25.007 -12.561 3.081 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.648 -14.599 4.431 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.584 -13.134 5.439 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.079 -13.962 4.976 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.870 -14.528 2.065 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.295 -13.874 2.571 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.272 -13.006 1.363 1.00 24.05 H new ATOM 528 N ALA A 33 24.943 -10.077 4.514 1.00 53.45 N ATOM 529 CA ALA A 33 25.596 -9.245 5.511 1.00 55.04 C ATOM 530 C ALA A 33 24.607 -8.219 6.052 1.00 52.23 C ATOM 531 O ALA A 33 24.487 -8.038 7.273 1.00 54.14 O ATOM 532 CB ALA A 33 26.816 -8.543 4.905 1.00 50.32 C ATOM 0 H ALA A 33 25.399 -10.089 3.602 1.00 53.45 H new ATOM 0 HA ALA A 33 25.937 -9.876 6.332 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.294 -7.924 5.664 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.525 -9.290 4.547 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.498 -7.915 4.072 1.00 50.32 H new ATOM 538 N SER A 34 23.826 -7.628 5.157 1.00 20.42 N ATOM 539 CA SER A 34 22.777 -6.707 5.564 1.00 42.23 C ATOM 540 C SER A 34 21.762 -7.441 6.433 1.00 51.41 C ATOM 541 O SER A 34 21.378 -6.962 7.499 1.00 74.05 O ATOM 542 CB SER A 34 22.081 -6.115 4.334 1.00 22.13 C ATOM 543 OG SER A 34 23.057 -5.575 3.436 1.00 22.31 O ATOM 0 H SER A 34 23.900 -7.770 4.150 1.00 20.42 H new ATOM 0 HA SER A 34 23.222 -5.893 6.137 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.497 -6.885 3.830 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.384 -5.335 4.640 1.00 22.13 H new ATOM 0 HG SER A 34 22.607 -5.199 2.651 1.00 22.31 H new ATOM 549 N LEU A 35 21.398 -8.641 6.009 1.00 42.51 N ATOM 550 CA LEU A 35 20.485 -9.494 6.767 1.00 60.21 C ATOM 551 C LEU A 35 21.096 -9.853 8.114 1.00 12.50 C ATOM 552 O LEU A 35 20.449 -9.722 9.158 1.00 51.11 O ATOM 553 CB LEU A 35 20.158 -10.758 5.949 1.00 20.44 C ATOM 554 CG LEU A 35 19.239 -11.706 6.736 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.951 -10.990 7.128 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.889 -12.915 5.868 1.00 72.44 C ATOM 0 H LEU A 35 21.723 -9.053 5.134 1.00 42.51 H new ATOM 0 HA LEU A 35 19.556 -8.955 6.955 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.677 -10.474 5.013 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.082 -11.275 5.689 1.00 20.44 H new ATOM 0 HG LEU A 35 19.760 -12.030 7.637 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.310 -11.673 7.685 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.189 -10.128 7.751 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.432 -10.657 6.229 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.237 -13.587 6.426 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.377 -12.579 4.966 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.803 -13.442 5.592 1.00 72.44 H new ATOM 568 N LYS A 36 22.371 -10.194 8.098 1.00 34.21 N ATOM 569 CA LYS A 36 23.100 -10.476 9.315 1.00 44.21 C ATOM 570 C LYS A 36 23.053 -9.256 10.214 1.00 31.00 C ATOM 571 O LYS A 36 22.925 -9.368 11.436 1.00 33.33 O ATOM 572 CB LYS A 36 24.564 -10.753 8.965 1.00 43.15 C ATOM 573 CG LYS A 36 25.343 -11.149 10.229 1.00 4.03 C ATOM 574 CD LYS A 36 26.841 -11.070 9.935 1.00 65.42 C ATOM 575 CE LYS A 36 27.324 -12.310 9.180 1.00 65.21 C ATOM 576 NZ LYS A 36 28.656 -12.030 8.594 1.00 35.45 N ATOM 0 H LYS A 36 22.925 -10.282 7.246 1.00 34.21 H new ATOM 0 HA LYS A 36 22.657 -11.336 9.816 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.624 -11.552 8.226 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.012 -9.867 8.515 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.086 -10.484 11.054 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.072 -12.159 10.537 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.052 -10.178 9.346 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.393 -10.973 10.870 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.382 -13.163 9.856 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.615 -12.573 8.395 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.947 -12.829 7.995 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.607 -11.165 8.018 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 29.350 -11.899 9.357 1.00 35.45 H new ATOM 590 N ASP A 37 23.269 -8.101 9.608 1.00 21.40 N ATOM 591 CA ASP A 37 23.375 -6.864 10.354 1.00 31.33 C ATOM 592 C ASP A 37 22.101 -6.576 11.130 1.00 3.04 C ATOM 593 O ASP A 37 22.157 -6.227 12.303 1.00 73.14 O ATOM 594 CB ASP A 37 23.695 -5.695 9.411 1.00 1.34 C ATOM 595 CG ASP A 37 24.175 -4.505 10.207 1.00 74.31 C ATOM 596 OD1 ASP A 37 25.199 -4.626 10.840 1.00 11.04 O ATOM 597 OD2 ASP A 37 23.531 -3.483 10.163 1.00 52.50 O ATOM 0 H ASP A 37 23.374 -7.997 8.599 1.00 21.40 H new ATOM 0 HA ASP A 37 24.189 -6.976 11.070 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.459 -5.995 8.693 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.808 -5.426 8.838 1.00 1.34 H new ATOM 602 N MET A 38 20.946 -6.754 10.492 1.00 34.44 N ATOM 603 CA MET A 38 19.678 -6.466 11.163 1.00 41.13 C ATOM 604 C MET A 38 19.531 -7.358 12.363 1.00 34.34 C ATOM 605 O MET A 38 19.048 -6.939 13.403 1.00 71.22 O ATOM 606 CB MET A 38 18.476 -6.712 10.264 1.00 41.21 C ATOM 607 CG MET A 38 18.844 -6.631 8.794 1.00 23.15 C ATOM 608 SD MET A 38 17.331 -6.785 7.809 1.00 32.15 S ATOM 609 CE MET A 38 16.762 -8.357 8.517 1.00 74.35 C ATOM 0 H MET A 38 20.860 -7.089 9.532 1.00 34.44 H new ATOM 0 HA MET A 38 19.702 -5.412 11.441 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.056 -7.694 10.480 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.701 -5.978 10.485 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.340 -5.684 8.580 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.546 -7.424 8.536 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.241 -8.933 7.752 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.619 -8.925 8.878 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.084 -8.158 9.347 1.00 74.35 H new ATOM 619 N VAL A 39 19.933 -8.600 12.200 1.00 14.41 N ATOM 620 CA VAL A 39 19.805 -9.580 13.261 1.00 25.32 C ATOM 621 C VAL A 39 20.555 -9.059 14.472 1.00 51.44 C ATOM 622 O VAL A 39 20.034 -9.052 15.588 1.00 21.33 O ATOM 623 CB VAL A 39 20.384 -10.934 12.804 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.265 -11.985 13.925 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.626 -11.421 11.563 1.00 65.31 C ATOM 0 H VAL A 39 20.352 -8.957 11.342 1.00 14.41 H new ATOM 0 HA VAL A 39 18.756 -9.735 13.512 1.00 25.32 H new ATOM 0 HB VAL A 39 21.439 -10.799 12.565 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.680 -12.933 13.581 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.816 -11.645 14.802 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.216 -12.122 14.186 1.00 41.14 H new ATOM 0 HG21 VAL A 39 20.035 -12.378 11.239 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.570 -11.541 11.805 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.734 -10.691 10.761 1.00 65.31 H new ATOM 635 N PHE A 40 21.723 -8.510 14.222 1.00 3.12 N ATOM 636 CA PHE A 40 22.485 -7.856 15.261 1.00 33.42 C ATOM 637 C PHE A 40 21.689 -6.704 15.851 1.00 2.10 C ATOM 638 O PHE A 40 21.577 -6.583 17.064 1.00 42.22 O ATOM 639 CB PHE A 40 23.821 -7.371 14.694 1.00 31.43 C ATOM 640 CG PHE A 40 24.532 -6.461 15.671 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.881 -6.917 16.947 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.846 -5.153 15.288 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.543 -6.062 17.833 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.512 -4.307 16.174 1.00 33.14 C ATOM 645 CZ PHE A 40 25.859 -4.759 17.446 1.00 34.32 C ATOM 0 H PHE A 40 22.167 -8.504 13.304 1.00 3.12 H new ATOM 0 HA PHE A 40 22.688 -8.567 16.062 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.454 -8.228 14.464 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.650 -6.841 13.757 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.640 -7.926 17.246 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.572 -4.798 14.305 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.811 -6.411 18.819 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.759 -3.299 15.874 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.372 -4.101 18.132 1.00 34.32 H new ATOM 655 N LEU A 41 21.104 -5.881 14.999 1.00 22.50 N ATOM 656 CA LEU A 41 20.296 -4.763 15.488 1.00 60.20 C ATOM 657 C LEU A 41 19.102 -5.301 16.238 1.00 62.30 C ATOM 658 O LEU A 41 18.658 -4.725 17.236 1.00 2.04 O ATOM 659 CB LEU A 41 19.741 -3.949 14.315 1.00 64.43 C ATOM 660 CG LEU A 41 20.853 -3.552 13.361 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.267 -2.760 12.194 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.904 -2.727 14.086 1.00 2.24 C ATOM 0 H LEU A 41 21.167 -5.957 13.984 1.00 22.50 H new ATOM 0 HA LEU A 41 20.929 -4.143 16.123 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.991 -4.534 13.783 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.241 -3.056 14.690 1.00 64.43 H new ATOM 0 HG LEU A 41 21.332 -4.453 12.977 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.066 -2.475 11.510 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.539 -3.376 11.666 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.777 -1.863 12.573 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.694 -2.450 13.388 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.444 -1.825 14.489 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.328 -3.313 14.901 1.00 2.24 H new ATOM 674 N ASP A 42 18.492 -6.309 15.645 1.00 3.40 N ATOM 675 CA ASP A 42 17.232 -6.841 16.135 1.00 20.53 C ATOM 676 C ASP A 42 17.419 -7.657 17.401 1.00 55.41 C ATOM 677 O ASP A 42 16.623 -7.546 18.334 1.00 3.34 O ATOM 678 CB ASP A 42 16.539 -7.689 15.044 1.00 22.22 C ATOM 679 CG ASP A 42 15.053 -7.866 15.341 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.466 -6.957 15.877 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.509 -8.900 15.006 1.00 75.41 O ATOM 0 H ASP A 42 18.852 -6.781 14.815 1.00 3.40 H new ATOM 0 HA ASP A 42 16.593 -5.993 16.381 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.664 -7.209 14.073 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.018 -8.666 14.980 1.00 22.22 H new ATOM 686 N TYR A 43 18.410 -8.543 17.399 1.00 32.23 N ATOM 687 CA TYR A 43 18.609 -9.454 18.527 1.00 3.43 C ATOM 688 C TYR A 43 19.892 -9.158 19.290 1.00 54.44 C ATOM 689 O TYR A 43 20.242 -9.888 20.212 1.00 52.22 O ATOM 690 CB TYR A 43 18.629 -10.899 18.027 1.00 12.45 C ATOM 691 CG TYR A 43 17.351 -11.173 17.285 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.182 -11.501 17.981 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.333 -11.080 15.895 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.998 -11.738 17.280 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.154 -11.302 15.199 1.00 50.22 C ATOM 696 CZ TYR A 43 14.987 -11.633 15.884 1.00 33.42 C ATOM 697 OH TYR A 43 13.822 -11.830 15.185 1.00 11.32 O ATOM 0 H TYR A 43 19.082 -8.651 16.640 1.00 32.23 H new ATOM 0 HA TYR A 43 17.777 -9.306 19.216 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.487 -11.060 17.374 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.733 -11.587 18.866 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.196 -11.571 19.059 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.238 -10.835 15.359 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.096 -12.001 17.812 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.141 -11.218 14.122 1.00 50.22 H new ATOM 0 HH TYR A 43 13.516 -10.977 14.812 1.00 11.32 H new ATOM 707 N GLY A 44 20.648 -8.163 18.852 1.00 13.32 N ATOM 708 CA GLY A 44 21.928 -7.885 19.485 1.00 51.52 C ATOM 709 C GLY A 44 22.877 -9.039 19.231 1.00 41.34 C ATOM 710 O GLY A 44 23.856 -9.234 19.955 1.00 41.15 O ATOM 0 H GLY A 44 20.405 -7.546 18.077 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.348 -6.960 19.090 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.792 -7.741 20.557 1.00 51.52 H new ATOM 714 N PHE A 45 22.567 -9.821 18.207 1.00 73.22 N ATOM 715 CA PHE A 45 23.364 -10.984 17.848 1.00 0.40 C ATOM 716 C PHE A 45 24.684 -10.536 17.237 1.00 12.32 C ATOM 717 O PHE A 45 24.690 -9.882 16.196 1.00 44.25 O ATOM 718 CB PHE A 45 22.592 -11.853 16.837 1.00 13.01 C ATOM 719 CG PHE A 45 21.628 -12.795 17.545 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.195 -12.536 18.860 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.165 -13.937 16.873 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.311 -13.417 19.490 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.278 -14.813 17.510 1.00 74.25 C ATOM 724 CZ PHE A 45 19.853 -14.553 18.816 1.00 11.12 C ATOM 0 H PHE A 45 21.759 -9.668 17.604 1.00 73.22 H new ATOM 0 HA PHE A 45 23.565 -11.570 18.745 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.040 -11.212 16.150 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.296 -12.431 16.238 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.546 -11.657 19.381 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.493 -14.140 15.864 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.981 -13.220 20.499 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.922 -15.691 16.992 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.169 -15.231 19.305 1.00 11.12 H new ATOM 734 N PRO A 46 25.796 -10.833 17.866 1.00 33.44 N ATOM 735 CA PRO A 46 27.130 -10.383 17.366 1.00 1.25 C ATOM 736 C PRO A 46 27.359 -10.873 15.940 1.00 72.23 C ATOM 737 O PRO A 46 27.316 -12.080 15.693 1.00 63.41 O ATOM 738 CB PRO A 46 28.130 -11.036 18.336 1.00 45.41 C ATOM 739 CG PRO A 46 27.355 -12.115 19.032 1.00 3.22 C ATOM 740 CD PRO A 46 25.914 -11.623 19.099 1.00 61.54 C ATOM 0 HA PRO A 46 27.226 -9.298 17.335 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.986 -11.448 17.801 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.520 -10.309 19.048 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.421 -13.056 18.486 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.752 -12.297 20.031 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.203 -12.449 19.123 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.731 -11.019 19.988 1.00 61.54 H new ATOM 748 N PRO A 47 27.558 -9.972 14.997 1.00 24.43 N ATOM 749 CA PRO A 47 27.666 -10.334 13.548 1.00 3.35 C ATOM 750 C PRO A 47 28.791 -11.326 13.279 1.00 32.23 C ATOM 751 O PRO A 47 28.686 -12.170 12.387 1.00 60.40 O ATOM 752 CB PRO A 47 27.941 -8.989 12.856 1.00 22.12 C ATOM 753 CG PRO A 47 28.439 -8.086 13.940 1.00 61.03 C ATOM 754 CD PRO A 47 27.712 -8.519 15.206 1.00 72.21 C ATOM 0 HA PRO A 47 26.766 -10.830 13.185 1.00 3.35 H new ATOM 0 HB2 PRO A 47 28.681 -9.098 12.063 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.037 -8.591 12.396 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.519 -8.176 14.059 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.230 -7.042 13.706 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.289 -8.296 16.103 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.749 -8.019 15.314 1.00 72.21 H new ATOM 762 N VAL A 48 29.829 -11.256 14.084 1.00 2.22 N ATOM 763 CA VAL A 48 30.965 -12.155 13.953 1.00 3.34 C ATOM 764 C VAL A 48 30.568 -13.613 14.192 1.00 13.44 C ATOM 765 O VAL A 48 31.147 -14.524 13.603 1.00 24.32 O ATOM 766 CB VAL A 48 32.092 -11.720 14.907 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.580 -11.685 16.352 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.272 -12.692 14.813 1.00 41.53 C ATOM 0 H VAL A 48 29.914 -10.581 14.844 1.00 2.22 H new ATOM 0 HA VAL A 48 31.330 -12.093 12.928 1.00 3.34 H new ATOM 0 HB VAL A 48 32.422 -10.723 14.616 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.387 -11.376 17.017 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.755 -10.977 16.429 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.234 -12.678 16.639 1.00 44.54 H new ATOM 0 HG21 VAL A 48 34.062 -12.372 15.493 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.941 -13.694 15.087 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.654 -12.703 13.792 1.00 41.53 H new ATOM 778 N LEU A 49 29.610 -13.828 15.075 1.00 54.44 N ATOM 779 CA LEU A 49 29.182 -15.182 15.416 1.00 52.43 C ATOM 780 C LEU A 49 28.071 -15.671 14.499 1.00 2.01 C ATOM 781 O LEU A 49 27.533 -16.753 14.707 1.00 62.52 O ATOM 782 CB LEU A 49 28.692 -15.233 16.860 1.00 62.41 C ATOM 783 CG LEU A 49 29.879 -15.329 17.830 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.235 -13.941 18.368 1.00 45.40 C ATOM 785 CD2 LEU A 49 29.491 -16.235 18.995 1.00 21.42 C ATOM 0 H LEU A 49 29.112 -13.088 15.570 1.00 54.44 H new ATOM 0 HA LEU A 49 30.046 -15.834 15.290 1.00 52.43 H new ATOM 0 HB2 LEU A 49 28.105 -14.342 17.082 1.00 62.41 H new ATOM 0 HB3 LEU A 49 28.034 -16.091 16.996 1.00 62.41 H new ATOM 0 HG LEU A 49 30.742 -15.737 17.305 1.00 55.31 H new ATOM 0 HD11 LEU A 49 31.078 -14.022 19.054 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.504 -13.287 17.538 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.377 -13.524 18.895 1.00 45.40 H new ATOM 0 HD21 LEU A 49 30.327 -16.311 19.691 1.00 21.42 H new ATOM 0 HD22 LEU A 49 28.627 -15.815 19.510 1.00 21.42 H new ATOM 0 HD23 LEU A 49 29.242 -17.227 18.617 1.00 21.42 H new ATOM 797 N GLN A 50 27.631 -14.822 13.592 1.00 62.55 N ATOM 798 CA GLN A 50 26.469 -15.150 12.775 1.00 24.52 C ATOM 799 C GLN A 50 26.854 -16.010 11.580 1.00 43.40 C ATOM 800 O GLN A 50 27.227 -15.479 10.528 1.00 65.42 O ATOM 801 CB GLN A 50 25.782 -13.869 12.271 1.00 53.50 C ATOM 802 CG GLN A 50 25.586 -12.878 13.415 1.00 42.03 C ATOM 803 CD GLN A 50 24.753 -13.493 14.518 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.640 -13.939 14.274 1.00 22.04 O ATOM 805 NE2 GLN A 50 25.224 -13.536 15.721 1.00 23.53 N ATOM 0 H GLN A 50 28.050 -13.912 13.400 1.00 62.55 H new ATOM 0 HA GLN A 50 25.780 -15.712 13.406 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.384 -13.412 11.486 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.817 -14.117 11.829 1.00 53.50 H new ATOM 0 HG2 GLN A 50 26.555 -12.575 13.810 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.098 -11.977 13.043 1.00 42.03 H new ATOM 0 HE21 GLN A 50 26.152 -13.163 15.919 1.00 23.53 H new ATOM 0 HE22 GLN A 50 24.667 -13.943 16.472 1.00 23.53 H new ATOM 814 N GLN A 51 26.625 -17.314 11.684 1.00 50.00 N ATOM 815 CA GLN A 51 26.812 -18.211 10.547 1.00 5.12 C ATOM 816 C GLN A 51 25.469 -18.484 9.900 1.00 24.14 C ATOM 817 O GLN A 51 24.560 -18.999 10.551 1.00 52.33 O ATOM 818 CB GLN A 51 27.460 -19.528 10.989 1.00 32.34 C ATOM 819 CG GLN A 51 28.885 -19.616 10.445 1.00 40.52 C ATOM 820 CD GLN A 51 28.844 -19.776 8.928 1.00 13.41 C ATOM 821 OE1 GLN A 51 28.151 -20.653 8.420 1.00 2.14 O ATOM 822 NE2 GLN A 51 29.535 -18.982 8.171 1.00 64.45 N ATOM 0 H GLN A 51 26.311 -17.773 12.539 1.00 50.00 H new ATOM 0 HA GLN A 51 27.477 -17.733 9.827 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.473 -19.590 12.077 1.00 32.34 H new ATOM 0 HB3 GLN A 51 26.871 -20.372 10.629 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.443 -18.718 10.711 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.406 -20.461 10.896 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.112 -18.252 8.589 1.00 64.45 H new ATOM 0 HE22 GLN A 51 29.502 -19.087 7.157 1.00 64.45 H new ATOM 831 N TRP A 52 25.323 -18.064 8.649 1.00 42.04 N ATOM 832 CA TRP A 52 24.051 -18.181 7.944 1.00 31.04 C ATOM 833 C TRP A 52 24.101 -19.288 6.896 1.00 72.42 C ATOM 834 O TRP A 52 24.986 -19.292 6.034 1.00 1.43 O ATOM 835 CB TRP A 52 23.733 -16.848 7.252 1.00 75.43 C ATOM 836 CG TRP A 52 22.985 -15.954 8.181 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.538 -15.197 9.158 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.563 -15.705 8.224 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.529 -14.503 9.803 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.293 -14.784 9.260 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.486 -16.190 7.467 1.00 64.11 C ATOM 842 CZ2 TRP A 52 19.998 -14.360 9.537 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.180 -15.766 7.740 1.00 45.22 C ATOM 844 CH2 TRP A 52 18.939 -14.852 8.775 1.00 64.43 C ATOM 0 H TRP A 52 26.071 -17.639 8.101 1.00 42.04 H new ATOM 0 HA TRP A 52 23.277 -18.428 8.671 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.657 -16.365 6.935 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.143 -17.028 6.354 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.590 -15.144 9.394 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.681 -13.863 10.583 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.666 -16.895 6.669 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 19.814 -13.656 10.335 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.357 -16.144 7.152 1.00 45.22 H new ATOM 0 HH2 TRP A 52 17.930 -14.528 8.983 1.00 64.43 H new ATOM 855 N VAL A 53 23.093 -20.156 6.908 1.00 64.50 N ATOM 856 CA VAL A 53 22.956 -21.209 5.911 1.00 13.22 C ATOM 857 C VAL A 53 21.584 -21.121 5.249 1.00 24.40 C ATOM 858 O VAL A 53 20.562 -20.973 5.931 1.00 52.11 O ATOM 859 CB VAL A 53 23.152 -22.593 6.550 1.00 15.40 C ATOM 860 CG1 VAL A 53 23.054 -23.693 5.479 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.523 -22.660 7.241 1.00 70.32 C ATOM 0 H VAL A 53 22.351 -20.148 7.608 1.00 64.50 H new ATOM 0 HA VAL A 53 23.727 -21.073 5.153 1.00 13.22 H new ATOM 0 HB VAL A 53 22.368 -22.752 7.291 1.00 15.40 H new ATOM 0 HG11 VAL A 53 23.195 -24.668 5.945 1.00 70.32 H new ATOM 0 HG12 VAL A 53 22.072 -23.655 5.007 1.00 70.32 H new ATOM 0 HG13 VAL A 53 23.826 -23.537 4.725 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.656 -23.643 7.692 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.310 -22.489 6.506 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.578 -21.895 8.016 1.00 70.32 H new ATOM 871 N ILE A 54 21.575 -21.195 3.926 1.00 31.32 N ATOM 872 CA ILE A 54 20.349 -21.150 3.134 1.00 2.42 C ATOM 873 C ILE A 54 20.498 -22.091 1.938 1.00 55.44 C ATOM 874 O ILE A 54 21.626 -22.424 1.545 1.00 64.42 O ATOM 875 CB ILE A 54 20.038 -19.709 2.675 1.00 61.22 C ATOM 876 CG1 ILE A 54 19.926 -18.802 3.909 1.00 70.55 C ATOM 877 CG2 ILE A 54 18.697 -19.678 1.929 1.00 73.52 C ATOM 878 CD1 ILE A 54 19.729 -17.343 3.478 1.00 33.44 C ATOM 0 H ILE A 54 22.422 -21.289 3.366 1.00 31.32 H new ATOM 0 HA ILE A 54 19.509 -21.478 3.747 1.00 2.42 H new ATOM 0 HB ILE A 54 20.836 -19.364 2.017 1.00 61.22 H new ATOM 0 HG12 ILE A 54 19.089 -19.122 4.530 1.00 70.55 H new ATOM 0 HG13 ILE A 54 20.826 -18.891 4.517 1.00 70.55 H new ATOM 0 HG21 ILE A 54 18.483 -18.659 1.608 1.00 73.52 H new ATOM 0 HG22 ILE A 54 18.751 -20.330 1.057 1.00 73.52 H new ATOM 0 HG23 ILE A 54 17.904 -20.024 2.592 1.00 73.52 H new ATOM 0 HD11 ILE A 54 19.651 -16.710 4.362 1.00 33.44 H new ATOM 0 HD12 ILE A 54 20.580 -17.023 2.877 1.00 33.44 H new ATOM 0 HD13 ILE A 54 18.816 -17.258 2.889 1.00 33.44 H new ATOM 890 N GLY A 55 19.383 -22.596 1.431 1.00 44.24 N ATOM 891 CA GLY A 55 19.403 -23.606 0.376 1.00 72.21 C ATOM 892 C GLY A 55 20.394 -23.271 -0.737 1.00 2.10 C ATOM 893 O GLY A 55 21.022 -24.166 -1.299 1.00 62.13 O ATOM 0 H GLY A 55 18.448 -22.323 1.733 1.00 44.24 H new ATOM 0 HA2 GLY A 55 19.661 -24.573 0.808 1.00 72.21 H new ATOM 0 HA3 GLY A 55 18.404 -23.703 -0.049 1.00 72.21 H new ATOM 897 N GLN A 56 20.540 -21.987 -1.056 1.00 71.41 N ATOM 898 CA GLN A 56 21.476 -21.564 -2.100 1.00 61.53 C ATOM 899 C GLN A 56 22.571 -20.682 -1.520 1.00 71.41 C ATOM 900 O GLN A 56 23.146 -19.837 -2.212 1.00 14.44 O ATOM 901 CB GLN A 56 20.727 -20.845 -3.224 1.00 1.42 C ATOM 902 CG GLN A 56 19.715 -21.814 -3.836 1.00 54.32 C ATOM 903 CD GLN A 56 20.445 -22.950 -4.544 1.00 14.01 C ATOM 904 OE1 GLN A 56 20.858 -22.797 -5.693 1.00 34.33 O ATOM 905 NE2 GLN A 56 20.654 -24.067 -3.926 1.00 5.11 N ATOM 0 H GLN A 56 20.028 -21.225 -0.612 1.00 71.41 H new ATOM 0 HA GLN A 56 21.952 -22.451 -2.519 1.00 61.53 H new ATOM 0 HB2 GLN A 56 20.218 -19.963 -2.835 1.00 1.42 H new ATOM 0 HB3 GLN A 56 21.427 -20.500 -3.984 1.00 1.42 H new ATOM 0 HG2 GLN A 56 19.067 -22.216 -3.057 1.00 54.32 H new ATOM 0 HG3 GLN A 56 19.074 -21.286 -4.542 1.00 54.32 H new ATOM 0 HE21 GLN A 56 20.312 -24.195 -2.974 1.00 5.11 H new ATOM 0 HE22 GLN A 56 21.161 -24.820 -4.391 1.00 5.11 H new ATOM 914 N ARG A 57 22.821 -20.849 -0.235 1.00 54.23 N ATOM 915 CA ARG A 57 23.816 -20.046 0.450 1.00 14.45 C ATOM 916 C ARG A 57 25.216 -20.351 -0.052 1.00 42.21 C ATOM 917 O ARG A 57 25.700 -21.483 0.095 1.00 54.43 O ATOM 918 CB ARG A 57 23.766 -20.297 1.965 1.00 41.54 C ATOM 919 CG ARG A 57 24.924 -19.540 2.655 1.00 32.25 C ATOM 920 CD ARG A 57 25.860 -20.537 3.362 1.00 32.13 C ATOM 921 NE ARG A 57 26.145 -21.676 2.482 1.00 22.13 N ATOM 922 CZ ARG A 57 26.599 -22.837 2.951 1.00 2.30 C ATOM 923 NH1 ARG A 57 26.883 -22.958 4.210 1.00 74.12 N ATOM 924 NH2 ARG A 57 26.771 -23.842 2.142 1.00 71.11 N ATOM 0 H ARG A 57 22.349 -21.534 0.356 1.00 54.23 H new ATOM 0 HA ARG A 57 23.584 -19.002 0.242 1.00 14.45 H new ATOM 0 HB2 ARG A 57 22.809 -19.964 2.368 1.00 41.54 H new ATOM 0 HB3 ARG A 57 23.843 -21.365 2.170 1.00 41.54 H new ATOM 0 HG2 ARG A 57 25.483 -18.964 1.917 1.00 32.25 H new ATOM 0 HG3 ARG A 57 24.524 -18.829 3.378 1.00 32.25 H new ATOM 0 HD2 ARG A 57 26.790 -20.040 3.639 1.00 32.13 H new ATOM 0 HD3 ARG A 57 25.399 -20.888 4.285 1.00 32.13 H new ATOM 0 HE ARG A 57 25.990 -21.575 1.479 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.759 -22.165 4.839 1.00 74.12 H new ATOM 0 HH12 ARG A 57 27.231 -23.846 4.571 1.00 74.12 H new ATOM 0 HH21 ARG A 57 26.558 -23.740 1.150 1.00 71.11 H new ATOM 0 HH22 ARG A 57 27.119 -24.731 2.500 1.00 71.11 H new ATOM 938 N LEU A 58 25.935 -19.300 -0.378 1.00 65.05 N ATOM 939 CA LEU A 58 27.364 -19.375 -0.616 1.00 31.53 C ATOM 940 C LEU A 58 28.074 -18.646 0.503 1.00 54.55 C ATOM 941 O LEU A 58 27.495 -17.752 1.122 1.00 13.21 O ATOM 942 CB LEU A 58 27.745 -18.774 -1.978 1.00 52.33 C ATOM 943 CG LEU A 58 27.603 -19.838 -3.084 1.00 32.24 C ATOM 944 CD1 LEU A 58 26.133 -20.226 -3.273 1.00 61.12 C ATOM 945 CD2 LEU A 58 28.160 -19.290 -4.399 1.00 55.40 C ATOM 0 H LEU A 58 25.545 -18.364 -0.487 1.00 65.05 H new ATOM 0 HA LEU A 58 27.667 -20.422 -0.636 1.00 31.53 H new ATOM 0 HB2 LEU A 58 27.105 -17.920 -2.200 1.00 52.33 H new ATOM 0 HB3 LEU A 58 28.770 -18.404 -1.947 1.00 52.33 H new ATOM 0 HG LEU A 58 28.164 -20.725 -2.788 1.00 32.24 H new ATOM 0 HD11 LEU A 58 26.053 -20.978 -4.058 1.00 61.12 H new ATOM 0 HD12 LEU A 58 25.741 -20.632 -2.340 1.00 61.12 H new ATOM 0 HD13 LEU A 58 25.557 -19.344 -3.555 1.00 61.12 H new ATOM 0 HD21 LEU A 58 28.059 -20.044 -5.179 1.00 55.40 H new ATOM 0 HD22 LEU A 58 27.606 -18.396 -4.684 1.00 55.40 H new ATOM 0 HD23 LEU A 58 29.213 -19.039 -4.272 1.00 55.40 H new ATOM 957 N ALA A 59 29.277 -19.072 0.824 1.00 35.55 N ATOM 958 CA ALA A 59 30.038 -18.489 1.932 1.00 42.01 C ATOM 959 C ALA A 59 30.334 -17.004 1.696 1.00 65.22 C ATOM 960 O ALA A 59 31.440 -16.533 1.977 1.00 41.30 O ATOM 961 CB ALA A 59 31.354 -19.251 2.125 1.00 11.31 C ATOM 0 H ALA A 59 29.760 -19.825 0.335 1.00 35.55 H new ATOM 0 HA ALA A 59 29.428 -18.574 2.831 1.00 42.01 H new ATOM 0 HB1 ALA A 59 31.912 -18.810 2.951 1.00 11.31 H new ATOM 0 HB2 ALA A 59 31.140 -20.296 2.349 1.00 11.31 H new ATOM 0 HB3 ALA A 59 31.947 -19.190 1.213 1.00 11.31 H new ATOM 967 N ARG A 60 29.355 -16.273 1.198 1.00 75.14 N ATOM 968 CA ARG A 60 29.517 -14.859 0.936 1.00 23.34 C ATOM 969 C ARG A 60 28.442 -14.058 1.659 1.00 54.11 C ATOM 970 O ARG A 60 27.270 -14.083 1.287 1.00 12.14 O ATOM 971 CB ARG A 60 29.455 -14.590 -0.576 1.00 30.40 C ATOM 972 CG ARG A 60 30.154 -13.256 -0.901 1.00 11.11 C ATOM 973 CD ARG A 60 31.677 -13.451 -0.870 1.00 21.13 C ATOM 974 NE ARG A 60 32.054 -14.680 -1.576 1.00 41.43 N ATOM 975 CZ ARG A 60 33.190 -15.334 -1.307 1.00 20.23 C ATOM 976 NH1 ARG A 60 34.034 -14.853 -0.428 1.00 64.24 N ATOM 977 NH2 ARG A 60 33.463 -16.442 -1.929 1.00 14.15 N ATOM 0 H ARG A 60 28.432 -16.641 0.966 1.00 75.14 H new ATOM 0 HA ARG A 60 30.492 -14.545 1.309 1.00 23.34 H new ATOM 0 HB2 ARG A 60 29.936 -15.404 -1.119 1.00 30.40 H new ATOM 0 HB3 ARG A 60 28.417 -14.556 -0.906 1.00 30.40 H new ATOM 0 HG2 ARG A 60 29.843 -12.901 -1.883 1.00 11.11 H new ATOM 0 HG3 ARG A 60 29.860 -12.494 -0.179 1.00 11.11 H new ATOM 0 HD2 ARG A 60 32.168 -12.595 -1.332 1.00 21.13 H new ATOM 0 HD3 ARG A 60 32.022 -13.498 0.163 1.00 21.13 H new ATOM 0 HE ARG A 60 31.431 -15.048 -2.295 1.00 41.43 H new ATOM 0 HH11 ARG A 60 33.826 -13.978 0.053 1.00 64.24 H new ATOM 0 HH12 ARG A 60 34.899 -15.354 -0.225 1.00 64.24 H new ATOM 0 HH21 ARG A 60 32.812 -16.812 -2.621 1.00 14.15 H new ATOM 0 HH22 ARG A 60 34.329 -16.941 -1.725 1.00 14.15 H new ATOM 991 N ASP A 61 28.865 -13.316 2.659 1.00 5.24 N ATOM 992 CA ASP A 61 27.978 -12.448 3.429 1.00 62.30 C ATOM 993 C ASP A 61 27.437 -11.359 2.516 1.00 23.25 C ATOM 994 O ASP A 61 26.358 -10.810 2.724 1.00 41.02 O ATOM 995 CB ASP A 61 28.770 -11.814 4.574 1.00 4.03 C ATOM 996 CG ASP A 61 27.908 -11.585 5.800 1.00 13.24 C ATOM 997 OD1 ASP A 61 26.961 -12.314 5.995 1.00 24.14 O ATOM 998 OD2 ASP A 61 28.245 -10.705 6.566 1.00 33.05 O ATOM 0 H ASP A 61 29.837 -13.292 2.968 1.00 5.24 H new ATOM 0 HA ASP A 61 27.149 -13.026 3.838 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.609 -12.459 4.836 1.00 4.03 H new ATOM 0 HB3 ASP A 61 29.189 -10.864 4.243 1.00 4.03 H new ATOM 1003 N GLN A 62 28.265 -10.991 1.567 1.00 12.52 N ATOM 1004 CA GLN A 62 27.980 -9.909 0.643 1.00 34.33 C ATOM 1005 C GLN A 62 26.848 -10.284 -0.299 1.00 44.45 C ATOM 1006 O GLN A 62 26.264 -9.415 -0.950 1.00 1.43 O ATOM 1007 CB GLN A 62 29.234 -9.626 -0.178 1.00 0.02 C ATOM 1008 CG GLN A 62 30.343 -9.113 0.740 1.00 25.23 C ATOM 1009 CD GLN A 62 31.651 -9.069 -0.021 1.00 11.12 C ATOM 1010 OE1 GLN A 62 32.147 -10.108 -0.453 1.00 1.45 O ATOM 1011 NE2 GLN A 62 32.238 -7.946 -0.214 1.00 15.21 N ATOM 0 H GLN A 62 29.168 -11.438 1.410 1.00 12.52 H new ATOM 0 HA GLN A 62 27.681 -9.029 1.212 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.560 -10.533 -0.687 1.00 0.02 H new ATOM 0 HB3 GLN A 62 29.017 -8.888 -0.950 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.092 -8.119 1.110 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.438 -9.762 1.610 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.824 -7.086 0.145 1.00 15.21 H new ATOM 0 HE22 GLN A 62 33.119 -7.913 -0.727 1.00 15.21 H new ATOM 1020 N GLU A 63 26.623 -11.579 -0.461 1.00 4.31 N ATOM 1021 CA GLU A 63 25.652 -12.049 -1.431 1.00 63.23 C ATOM 1022 C GLU A 63 24.234 -11.640 -1.111 1.00 22.23 C ATOM 1023 O GLU A 63 23.877 -11.334 0.034 1.00 10.12 O ATOM 1024 CB GLU A 63 25.727 -13.563 -1.664 1.00 4.24 C ATOM 1025 CG GLU A 63 26.544 -13.842 -2.931 1.00 13.54 C ATOM 1026 CD GLU A 63 25.891 -13.216 -4.173 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.759 -12.743 -4.095 1.00 33.23 O ATOM 1028 OE2 GLU A 63 26.546 -13.197 -5.190 1.00 51.42 O ATOM 0 H GLU A 63 27.096 -12.316 0.063 1.00 4.31 H new ATOM 0 HA GLU A 63 25.933 -11.550 -2.358 1.00 63.23 H new ATOM 0 HB2 GLU A 63 26.188 -14.052 -0.806 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.724 -13.977 -1.766 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.552 -13.445 -2.810 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.640 -14.918 -3.073 1.00 13.54 H new ATOM 1035 N THR A 64 23.441 -11.675 -2.150 1.00 35.12 N ATOM 1036 CA THR A 64 22.047 -11.338 -2.112 1.00 71.14 C ATOM 1037 C THR A 64 21.253 -12.457 -1.430 1.00 54.02 C ATOM 1038 O THR A 64 21.598 -13.646 -1.551 1.00 2.04 O ATOM 1039 CB THR A 64 21.566 -11.145 -3.559 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.649 -10.637 -4.347 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.404 -10.151 -3.610 1.00 70.13 C ATOM 0 H THR A 64 23.763 -11.949 -3.078 1.00 35.12 H new ATOM 0 HA THR A 64 21.894 -10.422 -1.542 1.00 71.14 H new ATOM 0 HB THR A 64 21.228 -12.105 -3.950 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.350 -10.513 -5.272 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.077 -10.027 -4.642 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.576 -10.528 -3.009 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.730 -9.189 -3.215 1.00 70.13 H new ATOM 1049 N LEU A 65 20.173 -12.093 -0.750 1.00 11.25 N ATOM 1050 CA LEU A 65 19.353 -13.093 -0.081 1.00 22.02 C ATOM 1051 C LEU A 65 18.788 -14.031 -1.124 1.00 11.33 C ATOM 1052 O LEU A 65 18.798 -15.260 -0.952 1.00 62.22 O ATOM 1053 CB LEU A 65 18.205 -12.441 0.700 1.00 34.52 C ATOM 1054 CG LEU A 65 18.762 -11.565 1.826 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.613 -10.962 2.629 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.682 -12.374 2.743 1.00 30.03 C ATOM 0 H LEU A 65 19.849 -11.131 -0.648 1.00 11.25 H new ATOM 0 HA LEU A 65 19.974 -13.639 0.630 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.595 -11.838 0.028 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.555 -13.211 1.116 1.00 34.52 H new ATOM 0 HG LEU A 65 19.349 -10.761 1.382 1.00 14.33 H new ATOM 0 HD11 LEU A 65 18.015 -10.340 3.429 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.991 -10.353 1.973 1.00 43.21 H new ATOM 0 HD13 LEU A 65 17.011 -11.762 3.060 1.00 43.21 H new ATOM 0 HD21 LEU A 65 20.065 -11.730 3.534 1.00 30.03 H new ATOM 0 HD22 LEU A 65 19.122 -13.198 3.185 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.515 -12.771 2.164 1.00 30.03 H new ATOM 1068 N HIS A 66 18.402 -13.456 -2.251 1.00 73.23 N ATOM 1069 CA HIS A 66 17.945 -14.242 -3.381 1.00 34.14 C ATOM 1070 C HIS A 66 19.031 -15.223 -3.782 1.00 10.32 C ATOM 1071 O HIS A 66 18.760 -16.413 -3.979 1.00 1.13 O ATOM 1072 CB HIS A 66 17.621 -13.323 -4.566 1.00 25.42 C ATOM 1073 CG HIS A 66 17.151 -14.144 -5.732 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.892 -14.250 -6.896 1.00 11.11 N ATOM 1075 CD2 HIS A 66 16.025 -14.901 -5.932 1.00 15.50 C ATOM 1076 CE1 HIS A 66 17.213 -15.043 -7.741 1.00 44.55 C ATOM 1077 NE2 HIS A 66 16.065 -15.468 -7.204 1.00 53.54 N ATOM 0 H HIS A 66 18.397 -12.448 -2.406 1.00 73.23 H new ATOM 0 HA HIS A 66 17.044 -14.786 -3.098 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.852 -12.605 -4.282 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.505 -12.750 -4.846 1.00 25.42 H new ATOM 0 HD2 HIS A 66 15.230 -15.037 -5.214 1.00 15.50 H new ATOM 0 HE1 HIS A 66 17.553 -15.305 -8.732 1.00 44.55 H new ATOM 0 HE2 HIS A 66 15.368 -16.077 -7.633 1.00 53.54 H new ATOM 1086 N SER A 67 20.269 -14.743 -3.837 1.00 14.51 N ATOM 1087 CA SER A 67 21.391 -15.600 -4.169 1.00 21.22 C ATOM 1088 C SER A 67 21.485 -16.730 -3.162 1.00 5.04 C ATOM 1089 O SER A 67 21.638 -17.897 -3.532 1.00 31.30 O ATOM 1090 CB SER A 67 22.693 -14.806 -4.141 1.00 53.23 C ATOM 1091 OG SER A 67 22.573 -13.630 -4.939 1.00 52.30 O ATOM 0 H SER A 67 20.516 -13.770 -3.656 1.00 14.51 H new ATOM 0 HA SER A 67 21.235 -16.002 -5.170 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.939 -14.534 -3.115 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.511 -15.423 -4.512 1.00 53.23 H new ATOM 0 HG SER A 67 23.458 -13.228 -5.064 1.00 52.30 H new ATOM 1097 N HIS A 68 21.338 -16.391 -1.892 1.00 71.23 N ATOM 1098 CA HIS A 68 21.417 -17.384 -0.832 1.00 44.15 C ATOM 1099 C HIS A 68 20.245 -18.342 -0.891 1.00 51.40 C ATOM 1100 O HIS A 68 20.312 -19.453 -0.359 1.00 71.43 O ATOM 1101 CB HIS A 68 21.502 -16.714 0.540 1.00 24.14 C ATOM 1102 CG HIS A 68 22.947 -16.587 0.950 1.00 33.13 C ATOM 1103 ND1 HIS A 68 23.565 -16.663 2.176 1.00 40.22 N flip ATOM 1104 CD2 HIS A 68 23.959 -16.339 0.031 1.00 74.41 C flip ATOM 1105 CE1 HIS A 68 24.938 -16.468 2.023 1.00 31.20 C flip ATOM 1106 NE2 HIS A 68 25.118 -16.275 0.712 1.00 62.11 N flip ATOM 0 H HIS A 68 21.164 -15.439 -1.570 1.00 71.23 H new ATOM 0 HA HIS A 68 22.329 -17.961 -0.985 1.00 44.15 H new ATOM 0 HB2 HIS A 68 21.035 -15.730 0.505 1.00 24.14 H new ATOM 0 HB3 HIS A 68 20.954 -17.301 1.277 1.00 24.14 H new ATOM 0 HD2 HIS A 68 23.838 -16.219 -1.035 1.00 74.41 H new ATOM 0 HE1 HIS A 68 25.692 -16.472 2.796 1.00 31.20 H new ATOM 0 HE2 HIS A 68 26.025 -16.100 0.280 1.00 62.11 H new ATOM 1115 N GLY A 69 19.201 -17.949 -1.596 1.00 24.31 N ATOM 1116 CA GLY A 69 18.060 -18.823 -1.792 1.00 1.43 C ATOM 1117 C GLY A 69 16.785 -18.257 -1.206 1.00 24.22 C ATOM 1118 O GLY A 69 15.727 -18.881 -1.317 1.00 54.34 O ATOM 0 H GLY A 69 19.119 -17.035 -2.041 1.00 24.31 H new ATOM 0 HA2 GLY A 69 17.919 -18.997 -2.859 1.00 1.43 H new ATOM 0 HA3 GLY A 69 18.266 -19.791 -1.336 1.00 1.43 H new ATOM 1122 N VAL A 70 16.845 -17.053 -0.645 1.00 14.11 N ATOM 1123 CA VAL A 70 15.624 -16.445 -0.140 1.00 2.23 C ATOM 1124 C VAL A 70 14.858 -15.854 -1.318 1.00 63.41 C ATOM 1125 O VAL A 70 15.051 -14.692 -1.683 1.00 21.42 O ATOM 1126 CB VAL A 70 15.950 -15.350 0.889 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.703 -15.043 1.715 1.00 73.22 C ATOM 1128 CG2 VAL A 70 17.080 -15.817 1.820 1.00 4.51 C ATOM 0 H VAL A 70 17.693 -16.498 -0.532 1.00 14.11 H new ATOM 0 HA VAL A 70 15.016 -17.200 0.359 1.00 2.23 H new ATOM 0 HB VAL A 70 16.273 -14.452 0.363 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.932 -14.267 2.445 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.906 -14.698 1.056 1.00 73.22 H new ATOM 0 HG13 VAL A 70 14.379 -15.945 2.234 1.00 73.22 H new ATOM 0 HG21 VAL A 70 17.302 -15.033 2.544 1.00 4.51 H new ATOM 0 HG22 VAL A 70 16.769 -16.719 2.346 1.00 4.51 H new ATOM 0 HG23 VAL A 70 17.972 -16.030 1.231 1.00 4.51 H new ATOM 1138 N ARG A 71 14.080 -16.694 -1.968 1.00 60.24 N ATOM 1139 CA ARG A 71 13.349 -16.307 -3.163 1.00 5.14 C ATOM 1140 C ARG A 71 12.182 -15.405 -2.811 1.00 73.44 C ATOM 1141 O ARG A 71 11.831 -14.490 -3.571 1.00 42.30 O ATOM 1142 CB ARG A 71 12.825 -17.558 -3.872 1.00 72.31 C ATOM 1143 CG ARG A 71 14.004 -18.416 -4.342 1.00 42.42 C ATOM 1144 CD ARG A 71 13.478 -19.683 -5.025 1.00 13.23 C ATOM 1145 NE ARG A 71 14.588 -20.563 -5.378 1.00 43.00 N ATOM 1146 CZ ARG A 71 15.063 -21.451 -4.503 1.00 42.14 C ATOM 1147 NH1 ARG A 71 14.593 -21.472 -3.291 1.00 15.55 N ATOM 1148 NH2 ARG A 71 16.001 -22.272 -4.848 1.00 31.11 N ATOM 0 H ARG A 71 13.935 -17.663 -1.686 1.00 60.24 H new ATOM 0 HA ARG A 71 14.027 -15.763 -3.821 1.00 5.14 H new ATOM 0 HB2 ARG A 71 12.191 -18.132 -3.196 1.00 72.31 H new ATOM 0 HB3 ARG A 71 12.207 -17.273 -4.724 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.626 -17.849 -5.035 1.00 42.42 H new ATOM 0 HG3 ARG A 71 14.634 -18.683 -3.493 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.789 -20.204 -4.360 1.00 13.23 H new ATOM 0 HD3 ARG A 71 12.917 -19.416 -5.921 1.00 13.23 H new ATOM 0 HE ARG A 71 15.006 -20.498 -6.306 1.00 43.00 H new ATOM 0 HH11 ARG A 71 13.866 -20.812 -3.014 1.00 15.55 H new ATOM 0 HH12 ARG A 71 14.951 -22.148 -2.617 1.00 15.55 H new ATOM 0 HH21 ARG A 71 16.382 -22.243 -5.794 1.00 31.11 H new ATOM 0 HH22 ARG A 71 16.360 -22.949 -4.174 1.00 31.11 H new ATOM 1162 N GLN A 72 11.493 -15.761 -1.742 1.00 22.33 N ATOM 1163 CA GLN A 72 10.253 -15.090 -1.366 1.00 11.22 C ATOM 1164 C GLN A 72 9.841 -15.488 0.034 1.00 63.41 C ATOM 1165 O GLN A 72 10.490 -16.319 0.660 1.00 54.20 O ATOM 1166 CB GLN A 72 9.132 -15.448 -2.358 1.00 72.22 C ATOM 1167 CG GLN A 72 9.186 -16.942 -2.704 1.00 11.44 C ATOM 1168 CD GLN A 72 8.708 -17.164 -4.131 1.00 64.24 C ATOM 1169 OE1 GLN A 72 7.770 -17.921 -4.364 1.00 55.53 O ATOM 1170 NE2 GLN A 72 9.292 -16.541 -5.104 1.00 55.43 N ATOM 0 H GLN A 72 11.770 -16.515 -1.113 1.00 22.33 H new ATOM 0 HA GLN A 72 10.423 -14.014 -1.392 1.00 11.22 H new ATOM 0 HB2 GLN A 72 8.162 -15.202 -1.926 1.00 72.22 H new ATOM 0 HB3 GLN A 72 9.236 -14.853 -3.266 1.00 72.22 H new ATOM 0 HG2 GLN A 72 10.205 -17.313 -2.591 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.562 -17.507 -2.011 1.00 11.44 H new ATOM 0 HE21 GLN A 72 10.071 -15.912 -4.912 1.00 55.43 H new ATOM 0 HE22 GLN A 72 8.973 -16.679 -6.063 1.00 55.43 H new ATOM 1179 N ASN A 73 8.715 -14.966 0.493 1.00 71.53 N ATOM 1180 CA ASN A 73 8.209 -15.356 1.798 1.00 20.42 C ATOM 1181 C ASN A 73 8.014 -16.859 1.824 1.00 52.02 C ATOM 1182 O ASN A 73 7.751 -17.473 0.780 1.00 44.32 O ATOM 1183 CB ASN A 73 6.895 -14.623 2.137 1.00 43.42 C ATOM 1184 CG ASN A 73 5.680 -15.446 1.707 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.293 -16.393 2.391 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.050 -15.136 0.626 1.00 55.51 N ATOM 0 H ASN A 73 8.144 -14.285 -0.007 1.00 71.53 H new ATOM 0 HA ASN A 73 8.936 -15.071 2.558 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.848 -14.431 3.209 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.877 -13.654 1.639 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.233 -15.675 0.339 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.369 -14.352 0.057 1.00 55.51 H new ATOM 1193 N GLY A 74 8.241 -17.463 2.968 1.00 42.33 N ATOM 1194 CA GLY A 74 8.160 -18.914 3.078 1.00 72.21 C ATOM 1195 C GLY A 74 9.546 -19.534 3.038 1.00 53.51 C ATOM 1196 O GLY A 74 9.739 -20.680 3.465 1.00 53.41 O ATOM 0 H GLY A 74 8.482 -16.982 3.834 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.661 -19.186 4.008 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.555 -19.312 2.264 1.00 72.21 H new ATOM 1200 N ASP A 75 10.526 -18.763 2.577 1.00 74.32 N ATOM 1201 CA ASP A 75 11.904 -19.232 2.567 1.00 40.23 C ATOM 1202 C ASP A 75 12.438 -19.311 3.973 1.00 33.23 C ATOM 1203 O ASP A 75 12.043 -18.532 4.850 1.00 22.31 O ATOM 1204 CB ASP A 75 12.808 -18.358 1.691 1.00 54.44 C ATOM 1205 CG ASP A 75 12.710 -18.795 0.240 1.00 32.10 C ATOM 1206 OD1 ASP A 75 13.051 -19.929 -0.040 1.00 41.44 O ATOM 1207 OD2 ASP A 75 12.293 -18.002 -0.578 1.00 43.04 O ATOM 0 H ASP A 75 10.392 -17.821 2.210 1.00 74.32 H new ATOM 0 HA ASP A 75 11.907 -20.230 2.129 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.516 -17.312 1.784 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.840 -18.433 2.032 1.00 54.44 H new ATOM 1212 N SER A 76 13.258 -20.299 4.218 1.00 54.11 N ATOM 1213 CA SER A 76 13.773 -20.538 5.547 1.00 54.23 C ATOM 1214 C SER A 76 15.293 -20.583 5.509 1.00 1.51 C ATOM 1215 O SER A 76 15.880 -20.972 4.496 1.00 74.44 O ATOM 1216 CB SER A 76 13.217 -21.861 6.061 1.00 52.41 C ATOM 1217 OG SER A 76 11.892 -22.027 5.560 1.00 21.32 O ATOM 0 H SER A 76 13.587 -20.957 3.512 1.00 54.11 H new ATOM 0 HA SER A 76 13.467 -19.733 6.215 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.849 -22.688 5.737 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.213 -21.871 7.151 1.00 52.41 H new ATOM 0 HG SER A 76 11.326 -21.296 5.884 1.00 21.32 H new ATOM 1223 N ALA A 77 15.926 -20.162 6.590 1.00 33.13 N ATOM 1224 CA ALA A 77 17.381 -20.123 6.655 1.00 74.42 C ATOM 1225 C ALA A 77 17.878 -20.741 7.943 1.00 71.15 C ATOM 1226 O ALA A 77 17.101 -20.931 8.897 1.00 14.41 O ATOM 1227 CB ALA A 77 17.864 -18.678 6.575 1.00 5.24 C ATOM 0 H ALA A 77 15.457 -19.841 7.437 1.00 33.13 H new ATOM 0 HA ALA A 77 17.775 -20.693 5.814 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.953 -18.655 6.624 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.534 -18.235 5.635 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.451 -18.110 7.408 1.00 5.24 H new ATOM 1233 N TYR A 78 19.169 -21.011 8.005 1.00 12.02 N ATOM 1234 CA TYR A 78 19.766 -21.543 9.213 1.00 11.21 C ATOM 1235 C TYR A 78 20.834 -20.597 9.730 1.00 11.53 C ATOM 1236 O TYR A 78 21.763 -20.236 8.997 1.00 70.42 O ATOM 1237 CB TYR A 78 20.373 -22.934 8.967 1.00 33.45 C ATOM 1238 CG TYR A 78 19.996 -23.842 10.113 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.432 -23.554 11.409 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.192 -24.962 9.883 1.00 61.00 C ATOM 1241 CE1 TYR A 78 20.064 -24.382 12.467 1.00 41.13 C ATOM 1242 CE2 TYR A 78 18.827 -25.789 10.946 1.00 1.34 C ATOM 1243 CZ TYR A 78 19.260 -25.500 12.235 1.00 43.02 C ATOM 1244 OH TYR A 78 18.884 -26.310 13.280 1.00 40.42 O ATOM 0 H TYR A 78 19.822 -20.871 7.234 1.00 12.02 H new ATOM 0 HA TYR A 78 18.980 -21.641 9.961 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.007 -23.344 8.025 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.457 -22.863 8.884 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.054 -22.690 11.590 1.00 21.22 H new ATOM 0 HD2 TYR A 78 18.853 -25.187 8.883 1.00 61.00 H new ATOM 0 HE1 TYR A 78 20.401 -24.159 13.469 1.00 41.13 H new ATOM 0 HE2 TYR A 78 18.207 -26.655 10.767 1.00 1.34 H new ATOM 0 HH TYR A 78 19.669 -26.784 13.625 1.00 40.42 H new ATOM 1254 N LEU A 79 20.731 -20.242 10.997 1.00 25.24 N ATOM 1255 CA LEU A 79 21.715 -19.406 11.651 1.00 53.21 C ATOM 1256 C LEU A 79 22.429 -20.217 12.713 1.00 53.55 C ATOM 1257 O LEU A 79 21.791 -20.846 13.569 1.00 62.25 O ATOM 1258 CB LEU A 79 21.034 -18.183 12.280 1.00 53.33 C ATOM 1259 CG LEU A 79 22.041 -17.360 13.113 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.109 -16.750 12.206 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.299 -16.237 13.848 1.00 71.21 C ATOM 0 H LEU A 79 19.960 -20.527 11.601 1.00 25.24 H new ATOM 0 HA LEU A 79 22.441 -19.054 10.918 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.606 -17.557 11.497 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.210 -18.507 12.915 1.00 53.33 H new ATOM 0 HG LEU A 79 22.523 -18.020 13.834 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.811 -16.173 12.808 1.00 75.51 H new ATOM 0 HD12 LEU A 79 23.644 -17.546 11.688 1.00 75.51 H new ATOM 0 HD13 LEU A 79 22.635 -16.095 11.475 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.009 -15.656 14.436 1.00 71.21 H new ATOM 0 HD22 LEU A 79 20.812 -15.587 13.122 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.548 -16.669 14.509 1.00 71.21 H new ATOM 1273 N TYR A 80 23.739 -20.221 12.645 1.00 5.12 N ATOM 1274 CA TYR A 80 24.561 -20.964 13.579 1.00 41.02 C ATOM 1275 C TYR A 80 25.395 -19.993 14.405 1.00 42.44 C ATOM 1276 O TYR A 80 26.055 -19.112 13.847 1.00 55.24 O ATOM 1277 CB TYR A 80 25.464 -21.929 12.795 1.00 20.13 C ATOM 1278 CG TYR A 80 26.313 -22.760 13.722 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.759 -23.861 14.389 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.660 -22.441 13.898 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.559 -24.638 15.232 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.458 -23.211 14.737 1.00 4.45 C ATOM 1283 CZ TYR A 80 27.913 -24.310 15.406 1.00 1.20 C ATOM 1284 OH TYR A 80 28.705 -25.068 16.239 1.00 2.11 O ATOM 0 H TYR A 80 24.269 -19.709 11.940 1.00 5.12 H new ATOM 0 HA TYR A 80 23.933 -21.542 14.257 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.850 -22.583 12.176 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.106 -21.363 12.120 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.717 -24.109 14.252 1.00 60.13 H new ATOM 0 HD2 TYR A 80 28.084 -21.593 13.381 1.00 32.42 H new ATOM 0 HE1 TYR A 80 26.137 -25.488 15.748 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.500 -22.959 14.872 1.00 4.45 H new ATOM 0 HH TYR A 80 29.615 -24.705 16.245 1.00 2.11 H new ATOM 1294 N LEU A 81 25.302 -20.105 15.726 1.00 0.03 N ATOM 1295 CA LEU A 81 26.000 -19.194 16.629 1.00 31.14 C ATOM 1296 C LEU A 81 27.079 -19.905 17.414 1.00 52.43 C ATOM 1297 O LEU A 81 26.980 -21.103 17.693 1.00 25.33 O ATOM 1298 CB LEU A 81 25.021 -18.512 17.589 1.00 11.44 C ATOM 1299 CG LEU A 81 23.973 -17.727 16.787 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.949 -17.110 17.739 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.654 -16.611 15.982 1.00 62.13 C ATOM 0 H LEU A 81 24.748 -20.820 16.197 1.00 0.03 H new ATOM 0 HA LEU A 81 26.474 -18.432 16.010 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.531 -19.258 18.215 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.560 -17.840 18.257 1.00 11.44 H new ATOM 0 HG LEU A 81 23.470 -18.410 16.102 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.208 -16.554 17.165 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.454 -17.901 18.303 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.455 -16.435 18.429 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.903 -16.060 15.416 1.00 62.13 H new ATOM 0 HD22 LEU A 81 25.166 -15.931 16.663 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.377 -17.048 15.294 1.00 62.13 H new ATOM 1313 N LEU A 82 28.104 -19.156 17.767 1.00 41.20 N ATOM 1314 CA LEU A 82 29.243 -19.676 18.517 1.00 33.24 C ATOM 1315 C LEU A 82 29.251 -19.188 19.960 1.00 52.35 C ATOM 1316 O LEU A 82 28.397 -18.402 20.371 1.00 61.23 O ATOM 1317 CB LEU A 82 30.560 -19.328 17.817 1.00 34.41 C ATOM 1318 CG LEU A 82 30.598 -20.023 16.453 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.851 -19.602 15.693 1.00 4.22 C ATOM 1320 CD2 LEU A 82 30.617 -21.540 16.652 1.00 74.54 C ATOM 0 H LEU A 82 28.176 -18.163 17.543 1.00 41.20 H new ATOM 0 HA LEU A 82 29.141 -20.761 18.545 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.646 -18.249 17.692 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.406 -19.647 18.426 1.00 34.41 H new ATOM 0 HG LEU A 82 29.714 -19.737 15.883 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.873 -20.099 14.723 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.842 -18.522 15.547 1.00 4.22 H new ATOM 0 HD13 LEU A 82 32.735 -19.883 16.265 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.644 -22.034 15.681 1.00 74.54 H new ATOM 0 HD22 LEU A 82 31.500 -21.821 17.227 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.721 -21.848 17.191 1.00 74.54 H new ATOM 1332 N SER A 83 30.166 -19.733 20.741 1.00 72.52 N ATOM 1333 CA SER A 83 30.273 -19.430 22.160 1.00 14.32 C ATOM 1334 C SER A 83 31.008 -18.114 22.416 1.00 12.51 C ATOM 1335 O SER A 83 31.104 -17.666 23.562 1.00 43.32 O ATOM 1336 CB SER A 83 30.986 -20.590 22.861 1.00 65.22 C ATOM 1337 OG SER A 83 31.905 -21.197 21.937 1.00 63.53 O ATOM 0 H SER A 83 30.860 -20.402 20.409 1.00 72.52 H new ATOM 0 HA SER A 83 29.268 -19.309 22.563 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.519 -20.229 23.741 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.260 -21.325 23.208 1.00 65.22 H new ATOM 0 HG SER A 83 32.368 -21.940 22.377 1.00 63.53 H new ATOM 1343 N ALA A 84 31.559 -17.515 21.359 1.00 2.42 N ATOM 1344 CA ALA A 84 32.331 -16.278 21.506 1.00 12.40 C ATOM 1345 C ALA A 84 31.552 -15.247 22.302 1.00 24.54 C ATOM 1346 O ALA A 84 32.022 -14.752 23.329 1.00 65.31 O ATOM 1347 CB ALA A 84 32.697 -15.701 20.135 1.00 41.54 C ATOM 0 H ALA A 84 31.487 -17.861 20.402 1.00 2.42 H new ATOM 0 HA ALA A 84 33.247 -16.520 22.044 1.00 12.40 H new ATOM 0 HB1 ALA A 84 33.270 -14.783 20.268 1.00 41.54 H new ATOM 0 HB2 ALA A 84 33.296 -16.426 19.583 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.786 -15.483 19.577 1.00 41.54 H new ATOM 1353 N ARG A 85 30.351 -14.954 21.848 1.00 20.43 N ATOM 1354 CA ARG A 85 29.468 -14.049 22.553 1.00 2.21 C ATOM 1355 C ARG A 85 28.024 -14.502 22.394 1.00 70.24 C ATOM 1356 O ARG A 85 27.580 -14.810 21.289 1.00 2.14 O ATOM 1357 CB ARG A 85 29.638 -12.611 22.040 1.00 3.12 C ATOM 1358 CG ARG A 85 28.768 -11.653 22.865 1.00 73.00 C ATOM 1359 CD ARG A 85 29.485 -11.329 24.178 1.00 4.44 C ATOM 1360 NE ARG A 85 30.687 -10.545 23.907 1.00 10.23 N ATOM 1361 CZ ARG A 85 31.722 -10.513 24.744 1.00 63.44 C ATOM 1362 NH1 ARG A 85 31.706 -11.232 25.834 1.00 54.33 N ATOM 1363 NH2 ARG A 85 32.751 -9.770 24.467 1.00 55.53 N ATOM 0 H ARG A 85 29.961 -15.334 20.985 1.00 20.43 H new ATOM 0 HA ARG A 85 29.729 -14.064 23.611 1.00 2.21 H new ATOM 0 HB2 ARG A 85 30.685 -12.314 22.107 1.00 3.12 H new ATOM 0 HB3 ARG A 85 29.357 -12.556 20.988 1.00 3.12 H new ATOM 0 HG2 ARG A 85 28.580 -10.738 22.303 1.00 73.00 H new ATOM 0 HG3 ARG A 85 27.798 -12.107 23.068 1.00 73.00 H new ATOM 0 HD2 ARG A 85 28.819 -10.774 24.839 1.00 4.44 H new ATOM 0 HD3 ARG A 85 29.751 -12.251 24.695 1.00 4.44 H new ATOM 0 HE ARG A 85 30.735 -10.002 23.045 1.00 10.23 H new ATOM 0 HH11 ARG A 85 30.900 -11.820 26.046 1.00 54.33 H new ATOM 0 HH12 ARG A 85 32.500 -11.206 26.474 1.00 54.33 H new ATOM 0 HH21 ARG A 85 32.764 -9.215 23.612 1.00 55.53 H new ATOM 0 HH22 ARG A 85 33.546 -9.742 25.105 1.00 55.53 H new ATOM 1377 N ASN A 86 27.287 -14.500 23.480 1.00 72.42 N ATOM 1378 CA ASN A 86 25.874 -14.848 23.454 1.00 43.42 C ATOM 1379 C ASN A 86 25.091 -13.764 24.165 1.00 13.12 C ATOM 1380 O ASN A 86 24.783 -13.875 25.360 1.00 21.14 O ATOM 1381 CB ASN A 86 25.635 -16.218 24.106 1.00 53.32 C ATOM 1382 CG ASN A 86 25.871 -17.348 23.093 1.00 11.41 C ATOM 1383 OD1 ASN A 86 26.526 -17.111 21.984 1.00 50.23 O flip ATOM 1384 ND2 ASN A 86 25.441 -18.483 23.320 1.00 4.31 N flip ATOM 0 H ASN A 86 27.642 -14.259 24.405 1.00 72.42 H new ATOM 0 HA ASN A 86 25.536 -14.919 22.420 1.00 43.42 H new ATOM 0 HB2 ASN A 86 26.302 -16.342 24.959 1.00 53.32 H new ATOM 0 HB3 ASN A 86 24.616 -16.272 24.488 1.00 53.32 H new ATOM 0 HD21 ASN A 86 24.930 -18.672 24.183 1.00 4.31 H new ATOM 0 HD22 ASN A 86 25.596 -19.232 22.645 1.00 4.31 H new ATOM 1391 N THR A 87 24.910 -12.662 23.472 1.00 54.54 N ATOM 1392 CA THR A 87 24.293 -11.482 24.029 1.00 5.51 C ATOM 1393 C THR A 87 22.780 -11.622 24.145 1.00 42.40 C ATOM 1394 O THR A 87 22.185 -12.572 23.623 1.00 24.33 O ATOM 1395 CB THR A 87 24.662 -10.276 23.164 1.00 0.04 C ATOM 1396 OG1 THR A 87 24.595 -10.658 21.791 1.00 73.02 O ATOM 1397 CG2 THR A 87 26.081 -9.810 23.500 1.00 13.21 C ATOM 0 H THR A 87 25.190 -12.560 22.497 1.00 54.54 H new ATOM 0 HA THR A 87 24.668 -11.342 25.043 1.00 5.51 H new ATOM 0 HB THR A 87 23.967 -9.458 23.357 1.00 0.04 H new ATOM 0 HG1 THR A 87 24.078 -9.993 21.291 1.00 73.02 H new ATOM 0 HG21 THR A 87 26.338 -8.951 22.881 1.00 13.21 H new ATOM 0 HG22 THR A 87 26.132 -9.527 24.552 1.00 13.21 H new ATOM 0 HG23 THR A 87 26.785 -10.620 23.307 1.00 13.21 H new ATOM 1405 N SER A 88 22.171 -10.679 24.843 1.00 41.20 N ATOM 1406 CA SER A 88 20.736 -10.641 25.003 1.00 14.24 C ATOM 1407 C SER A 88 20.087 -10.107 23.740 1.00 53.12 C ATOM 1408 O SER A 88 20.750 -9.439 22.939 1.00 13.03 O ATOM 1409 CB SER A 88 20.366 -9.763 26.199 1.00 12.31 C ATOM 1410 OG SER A 88 21.084 -8.525 26.127 1.00 52.20 O ATOM 0 H SER A 88 22.662 -9.919 25.314 1.00 41.20 H new ATOM 0 HA SER A 88 20.372 -11.652 25.184 1.00 14.24 H new ATOM 0 HB2 SER A 88 19.293 -9.573 26.205 1.00 12.31 H new ATOM 0 HB3 SER A 88 20.603 -10.279 27.129 1.00 12.31 H new ATOM 0 HG SER A 88 20.808 -8.033 25.326 1.00 52.20 H new ATOM 1416 N LEU A 89 18.788 -10.349 23.593 1.00 11.45 N ATOM 1417 CA LEU A 89 18.046 -9.879 22.433 1.00 2.42 C ATOM 1418 C LEU A 89 18.093 -8.367 22.372 1.00 41.41 C ATOM 1419 O LEU A 89 18.268 -7.778 21.305 1.00 23.42 O ATOM 1420 CB LEU A 89 16.587 -10.358 22.486 1.00 31.31 C ATOM 1421 CG LEU A 89 16.484 -11.799 21.964 1.00 52.24 C ATOM 1422 CD1 LEU A 89 17.165 -12.762 22.935 1.00 72.30 C ATOM 1423 CD2 LEU A 89 15.011 -12.184 21.823 1.00 73.01 C ATOM 0 H LEU A 89 18.227 -10.870 24.267 1.00 11.45 H new ATOM 0 HA LEU A 89 18.509 -10.291 21.536 1.00 2.42 H new ATOM 0 HB2 LEU A 89 16.216 -10.307 23.510 1.00 31.31 H new ATOM 0 HB3 LEU A 89 15.958 -9.700 21.886 1.00 31.31 H new ATOM 0 HG LEU A 89 16.979 -11.860 20.995 1.00 52.24 H new ATOM 0 HD11 LEU A 89 17.085 -13.780 22.554 1.00 72.30 H new ATOM 0 HD12 LEU A 89 18.217 -12.494 23.036 1.00 72.30 H new ATOM 0 HD13 LEU A 89 16.680 -12.700 23.909 1.00 72.30 H new ATOM 0 HD21 LEU A 89 14.936 -13.206 21.453 1.00 73.01 H new ATOM 0 HD22 LEU A 89 14.522 -12.113 22.794 1.00 73.01 H new ATOM 0 HD23 LEU A 89 14.524 -11.507 21.121 1.00 73.01 H new ATOM 1435 N ASN A 90 17.971 -7.746 23.532 1.00 22.24 N ATOM 1436 CA ASN A 90 18.063 -6.295 23.648 1.00 13.40 C ATOM 1437 C ASN A 90 19.339 -5.893 24.372 1.00 13.42 C ATOM 1438 O ASN A 90 19.894 -6.719 25.042 1.00 53.14 O ATOM 1439 CB ASN A 90 16.847 -5.727 24.391 1.00 14.11 C ATOM 1440 CG ASN A 90 16.626 -6.447 25.724 1.00 13.14 C ATOM 1441 OD1 ASN A 90 17.628 -6.999 26.343 1.00 72.21 O flip ATOM 1442 ND2 ASN A 90 15.489 -6.506 26.215 1.00 54.13 N flip ATOM 1443 OXT ASN A 90 19.733 -4.764 24.257 1.00 13.42 O ATOM 0 H ASN A 90 17.806 -8.226 24.417 1.00 22.24 H new ATOM 0 HA ASN A 90 18.082 -5.882 22.639 1.00 13.40 H new ATOM 0 HB2 ASN A 90 16.992 -4.662 24.570 1.00 14.11 H new ATOM 0 HB3 ASN A 90 15.958 -5.828 23.769 1.00 14.11 H new ATOM 0 HD21 ASN A 90 14.702 -6.074 25.732 1.00 54.13 H new ATOM 0 HD22 ASN A 90 15.341 -6.987 27.102 1.00 54.13 H new TER 1450 ASN A 90