USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=24 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 Single : A 1 MET CE :methyl -155:sc= -0.457 (180deg=-1.59!) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.103 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 11 SER OG : rot 84:sc= 1.21 USER MOD Single : A 16 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.092) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= 0.814 K(o=0.81,f=-8!) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.000389 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 -114:sc= -5.61! (180deg=-12.6!) USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.804 USER MOD Single : A 34 SER OG : rot -156:sc= -1.27 USER MOD Single : A 36 LYS NZ :NH3+ -107:sc= 0.23 (180deg=-1.03) USER MOD Single : A 38 MET CE :methyl -140:sc= -2.86 (180deg=-8.21!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.968 K(o=0.97,f=-4.3!) USER MOD Single : A 51 GLN :FLIP amide:sc= -3.02! C(o=-4.9!,f=-3!) USER MOD Single : A 56 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.19) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 66 HIS : no HD1:sc= -2.97 K(o=-3,f=-3.6!) USER MOD Single : A 67 SER OG : rot 156:sc= 1.11 USER MOD Single : A 68 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-13!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 73 ASN : amide:sc= -0.165! C(o=-0.16!,f=-7.1!) USER MOD Single : A 76 SER OG : rot -44:sc= 0.527 USER MOD Single : A 78 TYR OH : rot -90:sc= 1.02 USER MOD Single : A 80 TYR OH : rot 107:sc= 0.986 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0967 USER MOD Single : A 86 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.015) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00961 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.585 F(o=-2!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.703 -6.917 -8.808 1.00 3.24 N ATOM 2 CA MET A 1 5.828 -7.180 -7.879 1.00 12.54 C ATOM 3 C MET A 1 5.294 -7.020 -6.464 1.00 41.00 C ATOM 4 O MET A 1 4.424 -6.185 -6.226 1.00 41.40 O ATOM 5 CB MET A 1 6.945 -6.146 -8.133 1.00 64.21 C ATOM 6 CG MET A 1 8.095 -6.777 -8.931 1.00 31.12 C ATOM 7 SD MET A 1 9.037 -7.903 -7.869 1.00 74.30 S ATOM 8 CE MET A 1 9.736 -6.657 -6.749 1.00 21.22 C ATOM 0 H1 MET A 1 5.064 -6.458 -9.669 1.00 3.24 H new ATOM 0 H2 MET A 1 4.244 -7.815 -9.061 1.00 3.24 H new ATOM 0 H3 MET A 1 4.011 -6.293 -8.347 1.00 3.24 H new ATOM 0 HA MET A 1 6.234 -8.181 -8.025 1.00 12.54 H new ATOM 0 HB2 MET A 1 6.541 -5.293 -8.679 1.00 64.21 H new ATOM 0 HB3 MET A 1 7.320 -5.767 -7.182 1.00 64.21 H new ATOM 0 HG2 MET A 1 7.699 -7.319 -9.790 1.00 31.12 H new ATOM 0 HG3 MET A 1 8.750 -5.997 -9.321 1.00 31.12 H new ATOM 0 HE1 MET A 1 10.660 -7.037 -6.313 1.00 21.22 H new ATOM 0 HE2 MET A 1 9.946 -5.744 -7.306 1.00 21.22 H new ATOM 0 HE3 MET A 1 9.022 -6.441 -5.954 1.00 21.22 H new ATOM 20 N PRO A 2 5.815 -7.753 -5.507 1.00 54.43 N ATOM 21 CA PRO A 2 5.376 -7.609 -4.089 1.00 61.14 C ATOM 22 C PRO A 2 5.556 -6.170 -3.622 1.00 54.42 C ATOM 23 O PRO A 2 6.540 -5.521 -3.971 1.00 70.24 O ATOM 24 CB PRO A 2 6.335 -8.526 -3.325 1.00 31.13 C ATOM 25 CG PRO A 2 6.788 -9.533 -4.331 1.00 35.04 C ATOM 26 CD PRO A 2 6.859 -8.788 -5.661 1.00 21.25 C ATOM 0 HA PRO A 2 4.326 -7.861 -3.942 1.00 61.14 H new ATOM 0 HB2 PRO A 2 7.178 -7.966 -2.919 1.00 31.13 H new ATOM 0 HB3 PRO A 2 5.836 -9.006 -2.483 1.00 31.13 H new ATOM 0 HG2 PRO A 2 7.760 -9.945 -4.061 1.00 35.04 H new ATOM 0 HG3 PRO A 2 6.092 -10.370 -4.388 1.00 35.04 H new ATOM 0 HD2 PRO A 2 7.843 -8.350 -5.828 1.00 21.25 H new ATOM 0 HD3 PRO A 2 6.656 -9.446 -6.506 1.00 21.25 H new ATOM 34 N THR A 3 4.611 -5.685 -2.857 1.00 60.23 N ATOM 35 CA THR A 3 4.635 -4.316 -2.374 1.00 34.02 C ATOM 36 C THR A 3 5.095 -4.263 -0.928 1.00 24.54 C ATOM 37 O THR A 3 5.447 -3.201 -0.411 1.00 23.13 O ATOM 38 CB THR A 3 3.241 -3.703 -2.541 1.00 41.34 C ATOM 39 OG1 THR A 3 2.244 -4.690 -2.212 1.00 64.32 O ATOM 40 CG2 THR A 3 3.060 -3.269 -3.996 1.00 33.11 C ATOM 0 H THR A 3 3.801 -6.223 -2.548 1.00 60.23 H new ATOM 0 HA THR A 3 5.348 -3.735 -2.958 1.00 34.02 H new ATOM 0 HB THR A 3 3.134 -2.842 -1.881 1.00 41.34 H new ATOM 0 HG1 THR A 3 1.351 -4.300 -2.316 1.00 64.32 H new ATOM 0 HG21 THR A 3 2.070 -2.831 -4.125 1.00 33.11 H new ATOM 0 HG22 THR A 3 3.820 -2.530 -4.253 1.00 33.11 H new ATOM 0 HG23 THR A 3 3.161 -4.136 -4.649 1.00 33.11 H new ATOM 48 N GLN A 4 5.184 -5.426 -0.319 1.00 24.52 N ATOM 49 CA GLN A 4 5.683 -5.561 1.037 1.00 33.21 C ATOM 50 C GLN A 4 6.938 -6.398 1.025 1.00 75.12 C ATOM 51 O GLN A 4 7.109 -7.256 0.143 1.00 45.13 O ATOM 52 CB GLN A 4 4.650 -6.266 1.922 1.00 50.20 C ATOM 53 CG GLN A 4 3.416 -5.393 2.107 1.00 63.15 C ATOM 54 CD GLN A 4 2.392 -6.170 2.911 1.00 61.42 C ATOM 55 OE1 GLN A 4 1.884 -7.187 2.439 1.00 73.13 O ATOM 56 NE2 GLN A 4 2.062 -5.775 4.096 1.00 13.31 N ATOM 0 H GLN A 4 4.912 -6.309 -0.750 1.00 24.52 H new ATOM 0 HA GLN A 4 5.884 -4.565 1.431 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.365 -7.216 1.471 1.00 50.20 H new ATOM 0 HB3 GLN A 4 5.090 -6.493 2.893 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.680 -4.469 2.622 1.00 63.15 H new ATOM 0 HG3 GLN A 4 3.003 -5.112 1.138 1.00 63.15 H new ATOM 0 HE21 GLN A 4 2.482 -4.932 4.488 1.00 13.31 H new ATOM 0 HE22 GLN A 4 1.381 -6.306 4.639 1.00 13.31 H new ATOM 65 N ASP A 5 7.733 -6.256 2.071 1.00 70.34 N ATOM 66 CA ASP A 5 8.890 -7.110 2.267 1.00 52.01 C ATOM 67 C ASP A 5 8.430 -8.550 2.301 1.00 14.04 C ATOM 68 O ASP A 5 7.224 -8.826 2.303 1.00 34.30 O ATOM 69 CB ASP A 5 9.586 -6.775 3.597 1.00 72.04 C ATOM 70 CG ASP A 5 10.250 -5.422 3.524 1.00 32.43 C ATOM 71 OD1 ASP A 5 11.212 -5.295 2.802 1.00 71.24 O ATOM 72 OD2 ASP A 5 9.778 -4.516 4.181 1.00 63.22 O ATOM 0 H ASP A 5 7.597 -5.555 2.799 1.00 70.34 H new ATOM 0 HA ASP A 5 9.594 -6.951 1.450 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.857 -6.785 4.407 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.329 -7.539 3.827 1.00 72.04 H new ATOM 77 N ILE A 6 9.360 -9.451 2.443 1.00 61.21 N ATOM 78 CA ILE A 6 9.033 -10.841 2.553 1.00 73.32 C ATOM 79 C ILE A 6 9.537 -11.369 3.876 1.00 11.45 C ATOM 80 O ILE A 6 10.424 -10.770 4.501 1.00 13.11 O ATOM 81 CB ILE A 6 9.642 -11.643 1.393 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.164 -11.583 1.441 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.176 -11.055 0.056 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.726 -12.582 0.441 1.00 10.12 C ATOM 0 H ILE A 6 10.358 -9.244 2.485 1.00 61.21 H new ATOM 0 HA ILE A 6 7.950 -10.953 2.504 1.00 73.32 H new ATOM 0 HB ILE A 6 9.315 -12.679 1.487 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.510 -10.577 1.204 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.519 -11.814 2.445 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.610 -11.627 -0.764 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.089 -11.104 -0.004 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.497 -10.016 -0.016 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.815 -12.548 0.466 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.388 -13.585 0.700 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.378 -12.329 -0.561 1.00 10.12 H new ATOM 96 N ARG A 7 8.908 -12.418 4.352 1.00 43.32 N ATOM 97 CA ARG A 7 9.212 -12.945 5.658 1.00 44.44 C ATOM 98 C ARG A 7 10.153 -14.125 5.525 1.00 14.40 C ATOM 99 O ARG A 7 9.854 -15.090 4.810 1.00 73.14 O ATOM 100 CB ARG A 7 7.910 -13.388 6.332 1.00 13.53 C ATOM 101 CG ARG A 7 6.921 -12.211 6.363 1.00 74.33 C ATOM 102 CD ARG A 7 7.197 -11.310 7.570 1.00 62.21 C ATOM 103 NE ARG A 7 6.908 -12.021 8.806 1.00 62.41 N ATOM 104 CZ ARG A 7 5.654 -12.280 9.191 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.651 -11.883 8.457 1.00 41.23 N ATOM 106 NH2 ARG A 7 5.431 -12.915 10.298 1.00 33.44 N ATOM 0 H ARG A 7 8.179 -12.924 3.850 1.00 43.32 H new ATOM 0 HA ARG A 7 9.693 -12.177 6.264 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.475 -14.228 5.790 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.112 -13.733 7.346 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.006 -11.633 5.443 1.00 74.33 H new ATOM 0 HG3 ARG A 7 5.899 -12.588 6.409 1.00 74.33 H new ATOM 0 HD2 ARG A 7 8.239 -10.989 7.562 1.00 62.21 H new ATOM 0 HD3 ARG A 7 6.585 -10.410 7.508 1.00 62.21 H new ATOM 0 HE ARG A 7 7.682 -12.330 9.394 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.824 -11.375 7.589 1.00 41.23 H new ATOM 0 HH12 ARG A 7 3.694 -12.081 8.751 1.00 41.23 H new ATOM 0 HH21 ARG A 7 6.213 -13.219 10.878 1.00 33.44 H new ATOM 0 HH22 ARG A 7 4.473 -13.111 10.589 1.00 33.44 H new ATOM 120 N LEU A 8 11.265 -14.046 6.230 1.00 14.31 N ATOM 121 CA LEU A 8 12.248 -15.106 6.257 1.00 32.33 C ATOM 122 C LEU A 8 12.316 -15.668 7.648 1.00 71.45 C ATOM 123 O LEU A 8 12.450 -14.917 8.620 1.00 32.14 O ATOM 124 CB LEU A 8 13.637 -14.573 5.827 1.00 51.41 C ATOM 125 CG LEU A 8 14.736 -15.608 6.166 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.515 -16.900 5.372 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.116 -15.032 5.823 1.00 70.54 C ATOM 0 H LEU A 8 11.511 -13.239 6.803 1.00 14.31 H new ATOM 0 HA LEU A 8 11.956 -15.888 5.556 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.640 -14.366 4.757 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.846 -13.631 6.334 1.00 51.41 H new ATOM 0 HG LEU A 8 14.686 -15.831 7.232 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.296 -17.618 5.621 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.541 -17.320 5.625 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.550 -16.682 4.305 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.886 -15.765 6.064 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.158 -14.797 4.759 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.285 -14.124 6.402 1.00 70.54 H new ATOM 139 N TRP A 9 12.237 -16.966 7.759 1.00 31.14 N ATOM 140 CA TRP A 9 12.335 -17.599 9.049 1.00 63.14 C ATOM 141 C TRP A 9 13.737 -18.097 9.221 1.00 61.44 C ATOM 142 O TRP A 9 14.315 -18.674 8.289 1.00 73.50 O ATOM 143 CB TRP A 9 11.381 -18.784 9.137 1.00 41.11 C ATOM 144 CG TRP A 9 10.070 -18.415 8.540 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.528 -17.183 8.536 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.143 -19.271 7.848 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.315 -17.234 7.881 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.032 -18.505 7.439 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.160 -20.626 7.540 1.00 61.33 C ATOM 150 CZ2 TRP A 9 6.968 -19.072 6.745 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.101 -21.208 6.845 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.002 -20.431 6.444 1.00 21.20 C ATOM 0 H TRP A 9 12.105 -17.606 6.975 1.00 31.14 H new ATOM 0 HA TRP A 9 12.075 -16.879 9.825 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.802 -19.642 8.613 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.248 -19.080 10.178 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.970 -16.300 8.974 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.704 -16.429 7.742 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.001 -21.233 7.842 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.126 -18.466 6.444 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.126 -22.263 6.614 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.185 -20.886 5.904 1.00 21.20 H new ATOM 163 N VAL A 10 14.296 -17.893 10.378 1.00 73.13 N ATOM 164 CA VAL A 10 15.633 -18.357 10.619 1.00 21.41 C ATOM 165 C VAL A 10 15.639 -19.340 11.758 1.00 54.12 C ATOM 166 O VAL A 10 15.185 -19.034 12.867 1.00 12.11 O ATOM 167 CB VAL A 10 16.562 -17.171 10.899 1.00 41.13 C ATOM 168 CG1 VAL A 10 17.935 -17.664 11.380 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.740 -16.342 9.618 1.00 2.31 C ATOM 0 H VAL A 10 13.854 -17.414 11.162 1.00 73.13 H new ATOM 0 HA VAL A 10 16.003 -18.868 9.730 1.00 21.41 H new ATOM 0 HB VAL A 10 16.115 -16.555 11.679 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.581 -16.808 11.574 1.00 72.42 H new ATOM 0 HG12 VAL A 10 17.814 -18.242 12.296 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.386 -18.292 10.612 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.401 -15.499 9.819 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.175 -16.967 8.838 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.770 -15.971 9.287 1.00 2.31 H new ATOM 179 N SER A 11 16.221 -20.485 11.502 1.00 71.44 N ATOM 180 CA SER A 11 16.379 -21.504 12.503 1.00 32.15 C ATOM 181 C SER A 11 17.718 -21.281 13.167 1.00 55.14 C ATOM 182 O SER A 11 18.740 -21.227 12.484 1.00 33.30 O ATOM 183 CB SER A 11 16.352 -22.872 11.822 1.00 73.42 C ATOM 184 OG SER A 11 15.516 -22.797 10.660 1.00 53.13 O ATOM 0 H SER A 11 16.599 -20.735 10.588 1.00 71.44 H new ATOM 0 HA SER A 11 15.580 -21.463 13.243 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.361 -23.173 11.541 1.00 73.42 H new ATOM 0 HB3 SER A 11 15.974 -23.628 12.510 1.00 73.42 H new ATOM 0 HG SER A 11 16.034 -22.444 9.907 1.00 53.13 H new ATOM 190 N VAL A 12 17.701 -21.006 14.448 1.00 44.50 N ATOM 191 CA VAL A 12 18.896 -20.617 15.152 1.00 65.33 C ATOM 192 C VAL A 12 19.345 -21.727 16.084 1.00 31.54 C ATOM 193 O VAL A 12 18.610 -22.089 17.006 1.00 45.10 O ATOM 194 CB VAL A 12 18.595 -19.344 15.972 1.00 22.42 C ATOM 195 CG1 VAL A 12 19.857 -18.867 16.691 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.072 -18.234 15.048 1.00 44.14 C ATOM 0 H VAL A 12 16.863 -21.045 15.028 1.00 44.50 H new ATOM 0 HA VAL A 12 19.693 -20.423 14.434 1.00 65.33 H new ATOM 0 HB VAL A 12 17.833 -19.580 16.715 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.631 -17.969 17.266 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.210 -19.649 17.364 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.631 -18.643 15.957 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.862 -17.340 15.636 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.824 -18.004 14.293 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.158 -18.569 14.558 1.00 44.14 H new ATOM 206 N GLU A 13 20.594 -22.155 15.939 1.00 65.32 N ATOM 207 CA GLU A 13 21.198 -23.086 16.885 1.00 15.40 C ATOM 208 C GLU A 13 22.348 -22.431 17.623 1.00 23.23 C ATOM 209 O GLU A 13 23.259 -21.876 17.004 1.00 42.34 O ATOM 210 CB GLU A 13 21.689 -24.374 16.209 1.00 20.03 C ATOM 211 CG GLU A 13 20.524 -25.325 15.936 1.00 1.01 C ATOM 212 CD GLU A 13 21.067 -26.596 15.320 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.813 -27.278 15.979 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.734 -26.877 14.204 1.00 34.31 O ATOM 0 H GLU A 13 21.208 -21.872 15.175 1.00 65.32 H new ATOM 0 HA GLU A 13 20.416 -23.359 17.594 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.191 -24.130 15.273 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.424 -24.866 16.846 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.996 -25.550 16.862 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.804 -24.857 15.264 1.00 1.01 H new ATOM 221 N ASP A 14 22.329 -22.555 18.935 1.00 22.33 N ATOM 222 CA ASP A 14 23.400 -22.047 19.779 1.00 31.53 C ATOM 223 C ASP A 14 24.332 -23.170 20.173 1.00 2.03 C ATOM 224 O ASP A 14 23.921 -24.336 20.260 1.00 12.43 O ATOM 225 CB ASP A 14 22.835 -21.376 21.034 1.00 1.42 C ATOM 226 CG ASP A 14 23.947 -21.050 22.016 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.884 -20.383 21.632 1.00 34.20 O ATOM 228 OD2 ASP A 14 23.851 -21.481 23.142 1.00 24.52 O ATOM 0 H ASP A 14 21.574 -23.009 19.448 1.00 22.33 H new ATOM 0 HA ASP A 14 23.956 -21.303 19.209 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.308 -20.463 20.758 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.106 -22.034 21.507 1.00 1.42 H new ATOM 233 N ALA A 15 25.574 -22.819 20.422 1.00 64.23 N ATOM 234 CA ALA A 15 26.599 -23.781 20.783 1.00 62.10 C ATOM 235 C ALA A 15 26.200 -24.575 22.005 1.00 0.30 C ATOM 236 O ALA A 15 26.598 -25.731 22.153 1.00 4.10 O ATOM 237 CB ALA A 15 27.914 -23.069 21.042 1.00 72.21 C ATOM 0 H ALA A 15 25.906 -21.855 20.380 1.00 64.23 H new ATOM 0 HA ALA A 15 26.717 -24.473 19.949 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.676 -23.800 21.312 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.223 -22.538 20.142 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.788 -22.358 21.858 1.00 72.21 H new ATOM 243 N GLN A 16 25.362 -24.000 22.855 1.00 3.31 N ATOM 244 CA GLN A 16 24.871 -24.728 24.016 1.00 70.51 C ATOM 245 C GLN A 16 23.786 -25.714 23.569 1.00 44.44 C ATOM 246 O GLN A 16 22.781 -25.913 24.269 1.00 43.52 O ATOM 247 CB GLN A 16 24.311 -23.765 25.073 1.00 25.04 C ATOM 248 CG GLN A 16 25.352 -22.686 25.431 1.00 60.51 C ATOM 249 CD GLN A 16 26.596 -23.300 26.054 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.508 -24.036 27.031 1.00 42.31 O ATOM 251 NE2 GLN A 16 27.753 -23.031 25.559 1.00 32.13 N ATOM 0 H GLN A 16 25.012 -23.046 22.766 1.00 3.31 H new ATOM 0 HA GLN A 16 25.700 -25.273 24.468 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.404 -23.292 24.697 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.033 -24.321 25.968 1.00 25.04 H new ATOM 0 HG2 GLN A 16 25.628 -22.133 24.533 1.00 60.51 H new ATOM 0 HG3 GLN A 16 24.912 -21.969 26.124 1.00 60.51 H new ATOM 0 HE21 GLN A 16 27.830 -22.419 24.746 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.593 -23.430 25.979 1.00 32.13 H new ATOM 260 N MET A 17 23.926 -26.211 22.341 1.00 5.31 N ATOM 261 CA MET A 17 22.922 -27.061 21.713 1.00 12.12 C ATOM 262 C MET A 17 21.525 -26.565 21.999 1.00 54.32 C ATOM 263 O MET A 17 20.636 -27.336 22.383 1.00 30.13 O ATOM 264 CB MET A 17 23.086 -28.530 22.120 1.00 21.12 C ATOM 265 CG MET A 17 24.353 -29.099 21.474 1.00 2.23 C ATOM 266 SD MET A 17 24.505 -30.856 21.885 1.00 25.23 S ATOM 267 CE MET A 17 26.139 -31.127 21.147 1.00 74.04 C ATOM 0 H MET A 17 24.741 -26.034 21.754 1.00 5.31 H new ATOM 0 HA MET A 17 23.080 -27.004 20.636 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.149 -28.613 23.205 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.215 -29.105 21.806 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.312 -28.970 20.392 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.229 -28.555 21.827 1.00 2.23 H new ATOM 0 HE1 MET A 17 26.434 -32.167 21.288 1.00 74.04 H new ATOM 0 HE2 MET A 17 26.099 -30.903 20.081 1.00 74.04 H new ATOM 0 HE3 MET A 17 26.868 -30.475 21.628 1.00 74.04 H new ATOM 277 N HIS A 18 21.325 -25.288 21.769 1.00 43.51 N ATOM 278 CA HIS A 18 20.020 -24.669 21.909 1.00 22.43 C ATOM 279 C HIS A 18 19.517 -24.269 20.543 1.00 34.12 C ATOM 280 O HIS A 18 20.286 -23.774 19.724 1.00 31.44 O ATOM 281 CB HIS A 18 20.097 -23.439 22.822 1.00 70.50 C ATOM 282 CG HIS A 18 19.901 -23.849 24.252 1.00 40.41 C ATOM 283 ND1 HIS A 18 20.804 -24.652 24.933 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.903 -23.562 25.147 1.00 21.11 C ATOM 285 CE1 HIS A 18 20.333 -24.815 26.183 1.00 21.41 C ATOM 286 NE2 HIS A 18 19.177 -24.169 26.364 1.00 74.45 N ATOM 0 H HIS A 18 22.062 -24.645 21.479 1.00 43.51 H new ATOM 0 HA HIS A 18 19.333 -25.383 22.362 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.063 -22.949 22.705 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.335 -22.714 22.535 1.00 70.50 H new ATOM 0 HD1 HIS A 18 21.666 -25.046 24.556 1.00 0.13 H new ATOM 0 HD2 HIS A 18 18.035 -22.955 24.936 1.00 21.11 H new ATOM 0 HE1 HIS A 18 20.828 -25.397 26.946 1.00 21.41 H new ATOM 295 N THR A 19 18.248 -24.523 20.282 1.00 71.41 N ATOM 296 CA THR A 19 17.663 -24.225 18.989 1.00 41.11 C ATOM 297 C THR A 19 16.534 -23.209 19.141 1.00 2.13 C ATOM 298 O THR A 19 15.624 -23.398 19.947 1.00 64.45 O ATOM 299 CB THR A 19 17.131 -25.524 18.365 1.00 2.14 C ATOM 300 OG1 THR A 19 18.164 -26.506 18.388 1.00 11.24 O ATOM 301 CG2 THR A 19 16.699 -25.278 16.914 1.00 20.53 C ATOM 0 H THR A 19 17.600 -24.937 20.952 1.00 71.41 H new ATOM 0 HA THR A 19 18.424 -23.795 18.337 1.00 41.11 H new ATOM 0 HB THR A 19 16.270 -25.870 18.936 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.832 -27.339 17.993 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.324 -26.207 16.484 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.912 -24.524 16.891 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.553 -24.928 16.334 1.00 20.53 H new ATOM 309 N VAL A 20 16.590 -22.147 18.365 1.00 62.44 N ATOM 310 CA VAL A 20 15.556 -21.122 18.382 1.00 2.05 C ATOM 311 C VAL A 20 15.152 -20.775 16.954 1.00 1.51 C ATOM 312 O VAL A 20 15.913 -21.010 16.017 1.00 15.42 O ATOM 313 CB VAL A 20 16.061 -19.856 19.099 1.00 22.23 C ATOM 314 CG1 VAL A 20 14.867 -18.971 19.465 1.00 41.33 C ATOM 315 CG2 VAL A 20 16.817 -20.232 20.383 1.00 52.53 C ATOM 0 H VAL A 20 17.347 -21.966 17.706 1.00 62.44 H new ATOM 0 HA VAL A 20 14.692 -21.509 18.922 1.00 2.05 H new ATOM 0 HB VAL A 20 16.736 -19.321 18.431 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.221 -18.074 19.973 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.333 -18.688 18.558 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.196 -19.520 20.125 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.167 -19.326 20.878 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.150 -20.776 21.052 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.671 -20.861 20.132 1.00 52.53 H new ATOM 325 N THR A 21 13.981 -20.197 16.793 1.00 63.53 N ATOM 326 CA THR A 21 13.508 -19.782 15.488 1.00 44.25 C ATOM 327 C THR A 21 13.124 -18.312 15.523 1.00 12.41 C ATOM 328 O THR A 21 12.362 -17.901 16.393 1.00 11.33 O ATOM 329 CB THR A 21 12.289 -20.620 15.089 1.00 65.22 C ATOM 330 OG1 THR A 21 12.595 -22.004 15.248 1.00 25.54 O ATOM 331 CG2 THR A 21 11.941 -20.352 13.624 1.00 10.42 C ATOM 0 H THR A 21 13.333 -20.002 17.557 1.00 63.53 H new ATOM 0 HA THR A 21 14.303 -19.929 14.757 1.00 44.25 H new ATOM 0 HB THR A 21 11.443 -20.352 15.722 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.816 -22.542 14.995 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.074 -20.949 13.341 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.713 -19.294 13.492 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.788 -20.622 12.994 1.00 10.42 H new ATOM 339 N ILE A 22 13.611 -17.537 14.561 1.00 41.12 N ATOM 340 CA ILE A 22 13.239 -16.129 14.473 1.00 63.41 C ATOM 341 C ILE A 22 12.719 -15.797 13.080 1.00 15.43 C ATOM 342 O ILE A 22 13.069 -16.465 12.099 1.00 50.41 O ATOM 343 CB ILE A 22 14.423 -15.219 14.848 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.584 -15.419 13.868 1.00 65.05 C ATOM 345 CG2 ILE A 22 14.894 -15.536 16.268 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.704 -14.437 14.208 1.00 75.44 C ATOM 0 H ILE A 22 14.257 -17.854 13.838 1.00 41.12 H new ATOM 0 HA ILE A 22 12.438 -15.946 15.189 1.00 63.41 H new ATOM 0 HB ILE A 22 14.092 -14.182 14.797 1.00 35.34 H new ATOM 0 HG12 ILE A 22 15.952 -16.443 13.926 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.243 -15.260 12.845 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.732 -14.888 16.527 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.076 -15.368 16.969 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.210 -16.578 16.322 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.533 -14.575 13.513 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.330 -13.416 14.128 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.050 -14.618 15.226 1.00 75.44 H new ATOM 358 N TRP A 23 11.886 -14.768 12.997 1.00 51.20 N ATOM 359 CA TRP A 23 11.299 -14.345 11.737 1.00 45.54 C ATOM 360 C TRP A 23 11.872 -13.003 11.320 1.00 3.15 C ATOM 361 O TRP A 23 11.867 -12.046 12.099 1.00 71.12 O ATOM 362 CB TRP A 23 9.766 -14.238 11.873 1.00 14.21 C ATOM 363 CG TRP A 23 9.190 -15.588 12.192 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.507 -16.362 11.320 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.238 -16.335 13.444 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.140 -17.535 11.950 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.569 -17.568 13.256 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.800 -16.075 14.708 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.451 -18.500 14.278 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.678 -17.021 15.743 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.006 -18.229 15.524 1.00 12.23 C ATOM 0 H TRP A 23 11.600 -14.206 13.799 1.00 51.20 H new ATOM 0 HA TRP A 23 11.537 -15.087 10.975 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.510 -13.528 12.659 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.335 -13.858 10.947 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.284 -16.105 10.295 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.615 -18.285 11.501 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.326 -15.148 14.884 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 7.931 -19.431 14.106 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.106 -16.813 16.713 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.918 -18.951 16.323 1.00 12.23 H new ATOM 382 N LEU A 24 12.357 -12.934 10.098 1.00 44.10 N ATOM 383 CA LEU A 24 12.941 -11.711 9.568 1.00 40.20 C ATOM 384 C LEU A 24 12.123 -11.216 8.396 1.00 52.40 C ATOM 385 O LEU A 24 11.800 -11.989 7.495 1.00 21.24 O ATOM 386 CB LEU A 24 14.366 -11.996 9.101 1.00 70.54 C ATOM 387 CG LEU A 24 15.172 -12.606 10.258 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.572 -12.937 9.782 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.272 -11.618 11.413 1.00 21.54 C ATOM 0 H LEU A 24 12.360 -13.717 9.444 1.00 44.10 H new ATOM 0 HA LEU A 24 12.950 -10.949 10.348 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.352 -12.681 8.253 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.839 -11.075 8.760 1.00 70.54 H new ATOM 0 HG LEU A 24 14.664 -13.510 10.595 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.143 -13.370 10.604 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.518 -13.653 8.962 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.064 -12.027 9.438 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.846 -12.064 12.225 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.770 -10.710 11.073 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.272 -11.371 11.769 1.00 21.54 H new ATOM 401 N THR A 25 11.843 -9.930 8.368 1.00 32.11 N ATOM 402 CA THR A 25 11.110 -9.347 7.262 1.00 20.03 C ATOM 403 C THR A 25 12.075 -8.516 6.406 1.00 15.11 C ATOM 404 O THR A 25 12.714 -7.585 6.908 1.00 30.42 O ATOM 405 CB THR A 25 9.966 -8.482 7.824 1.00 11.33 C ATOM 406 OG1 THR A 25 9.537 -9.041 9.077 1.00 74.12 O ATOM 407 CG2 THR A 25 8.782 -8.456 6.848 1.00 51.01 C ATOM 0 H THR A 25 12.111 -9.269 9.097 1.00 32.11 H new ATOM 0 HA THR A 25 10.676 -10.123 6.631 1.00 20.03 H new ATOM 0 HB THR A 25 10.324 -7.462 7.965 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.810 -8.498 9.446 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.983 -7.840 7.261 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.106 -8.038 5.895 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.415 -9.471 6.694 1.00 51.01 H new ATOM 415 N VAL A 26 12.245 -8.922 5.149 1.00 24.42 N ATOM 416 CA VAL A 26 13.212 -8.285 4.243 1.00 0.53 C ATOM 417 C VAL A 26 12.759 -8.429 2.799 1.00 14.44 C ATOM 418 O VAL A 26 11.681 -8.928 2.540 1.00 61.52 O ATOM 419 CB VAL A 26 14.616 -8.913 4.415 1.00 60.45 C ATOM 420 CG1 VAL A 26 15.145 -8.639 5.821 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.548 -10.433 4.194 1.00 64.00 C ATOM 0 H VAL A 26 11.725 -9.693 4.729 1.00 24.42 H new ATOM 0 HA VAL A 26 13.267 -7.226 4.495 1.00 0.53 H new ATOM 0 HB VAL A 26 15.285 -8.467 3.679 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.133 -9.085 5.931 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.213 -7.563 5.981 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.467 -9.073 6.556 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.542 -10.863 4.318 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.867 -10.876 4.921 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.186 -10.638 3.186 1.00 64.00 H new ATOM 431 N ARG A 27 13.641 -8.092 1.871 1.00 33.21 N ATOM 432 CA ARG A 27 13.390 -8.318 0.453 1.00 4.21 C ATOM 433 C ARG A 27 14.445 -9.266 -0.100 1.00 3.32 C ATOM 434 O ARG A 27 15.600 -9.211 0.318 1.00 72.11 O ATOM 435 CB ARG A 27 13.437 -6.997 -0.332 1.00 30.33 C ATOM 436 CG ARG A 27 14.593 -6.140 0.169 1.00 13.41 C ATOM 437 CD ARG A 27 14.063 -5.130 1.185 1.00 0.42 C ATOM 438 NE ARG A 27 13.949 -3.809 0.572 1.00 5.44 N ATOM 439 CZ ARG A 27 13.050 -2.904 0.981 1.00 52.45 C ATOM 440 NH1 ARG A 27 12.174 -3.206 1.907 1.00 55.30 N ATOM 441 NH2 ARG A 27 13.028 -1.731 0.431 1.00 23.52 N ATOM 0 H ARG A 27 14.542 -7.659 2.074 1.00 33.21 H new ATOM 0 HA ARG A 27 12.396 -8.752 0.343 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.557 -7.200 -1.396 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.496 -6.460 -0.214 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.356 -6.769 0.627 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.066 -5.621 -0.665 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.090 -5.452 1.555 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.731 -5.083 2.045 1.00 0.42 H new ATOM 0 HE ARG A 27 14.576 -3.567 -0.195 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.172 -4.137 2.323 1.00 55.30 H new ATOM 0 HH12 ARG A 27 11.494 -2.510 2.212 1.00 55.30 H new ATOM 0 HH21 ARG A 27 13.692 -1.502 -0.308 1.00 23.52 H new ATOM 0 HH22 ARG A 27 12.346 -1.037 0.737 1.00 23.52 H new ATOM 455 N PRO A 28 14.120 -10.038 -1.102 1.00 70.42 N ATOM 456 CA PRO A 28 15.108 -10.939 -1.777 1.00 2.44 C ATOM 457 C PRO A 28 16.287 -10.140 -2.298 1.00 10.52 C ATOM 458 O PRO A 28 17.387 -10.670 -2.491 1.00 73.22 O ATOM 459 CB PRO A 28 14.313 -11.524 -2.948 1.00 63.31 C ATOM 460 CG PRO A 28 12.891 -11.423 -2.530 1.00 53.01 C ATOM 461 CD PRO A 28 12.782 -10.141 -1.709 1.00 50.41 C ATOM 0 HA PRO A 28 15.516 -11.698 -1.109 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.495 -10.967 -3.867 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.596 -12.559 -3.140 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.231 -11.388 -3.397 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.596 -12.290 -1.940 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.552 -9.278 -2.333 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.998 -10.207 -0.955 1.00 50.41 H new ATOM 469 N ASP A 29 16.026 -8.873 -2.569 1.00 21.24 N ATOM 470 CA ASP A 29 17.020 -7.969 -3.104 1.00 42.34 C ATOM 471 C ASP A 29 18.084 -7.658 -2.088 1.00 22.22 C ATOM 472 O ASP A 29 19.172 -7.215 -2.448 1.00 73.13 O ATOM 473 CB ASP A 29 16.358 -6.673 -3.560 1.00 0.01 C ATOM 474 CG ASP A 29 15.571 -6.916 -4.820 1.00 62.22 C ATOM 475 OD1 ASP A 29 16.172 -7.302 -5.797 1.00 43.24 O ATOM 476 OD2 ASP A 29 14.380 -6.738 -4.797 1.00 21.43 O ATOM 0 H ASP A 29 15.113 -8.444 -2.422 1.00 21.24 H new ATOM 0 HA ASP A 29 17.492 -8.461 -3.955 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.700 -6.295 -2.777 1.00 0.01 H new ATOM 0 HB3 ASP A 29 17.116 -5.909 -3.736 1.00 0.01 H new ATOM 481 N MET A 30 17.775 -7.880 -0.825 1.00 31.25 N ATOM 482 CA MET A 30 18.735 -7.616 0.232 1.00 25.12 C ATOM 483 C MET A 30 19.919 -8.540 0.150 1.00 64.13 C ATOM 484 O MET A 30 19.918 -9.509 -0.600 1.00 62.13 O ATOM 485 CB MET A 30 18.096 -7.698 1.619 1.00 2.42 C ATOM 486 CG MET A 30 17.591 -6.322 2.034 1.00 11.34 C ATOM 487 SD MET A 30 16.740 -6.476 3.617 1.00 52.43 S ATOM 488 CE MET A 30 18.187 -6.973 4.588 1.00 61.23 C ATOM 0 H MET A 30 16.875 -8.239 -0.506 1.00 31.25 H new ATOM 0 HA MET A 30 19.086 -6.595 0.082 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.271 -8.411 1.608 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.823 -8.063 2.344 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.423 -5.623 2.118 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.915 -5.923 1.278 1.00 11.34 H new ATOM 0 HE1 MET A 30 18.056 -7.997 4.939 1.00 61.23 H new ATOM 0 HE2 MET A 30 19.080 -6.915 3.966 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.297 -6.307 5.444 1.00 61.23 H new ATOM 498 N THR A 31 20.930 -8.195 0.900 1.00 12.23 N ATOM 499 CA THR A 31 22.170 -8.911 0.947 1.00 31.41 C ATOM 500 C THR A 31 22.298 -9.681 2.265 1.00 44.04 C ATOM 501 O THR A 31 21.756 -9.259 3.297 1.00 12.01 O ATOM 502 CB THR A 31 23.318 -7.916 0.754 1.00 25.42 C ATOM 503 OG1 THR A 31 23.592 -7.735 -0.640 1.00 20.13 O ATOM 504 CG2 THR A 31 24.562 -8.374 1.486 1.00 40.23 C ATOM 0 H THR A 31 20.910 -7.381 1.514 1.00 12.23 H new ATOM 0 HA THR A 31 22.207 -9.649 0.146 1.00 31.41 H new ATOM 0 HB THR A 31 23.013 -6.958 1.176 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.015 -8.543 -0.998 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.362 -7.650 1.332 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.347 -8.457 2.551 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.873 -9.345 1.102 1.00 40.23 H new ATOM 512 N VAL A 32 22.978 -10.825 2.224 1.00 60.15 N ATOM 513 CA VAL A 32 23.102 -11.676 3.404 1.00 10.31 C ATOM 514 C VAL A 32 23.787 -10.914 4.547 1.00 54.12 C ATOM 515 O VAL A 32 23.310 -10.927 5.691 1.00 54.33 O ATOM 516 CB VAL A 32 23.908 -12.941 3.058 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.105 -13.808 4.311 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.172 -13.749 1.979 1.00 24.05 C ATOM 0 H VAL A 32 23.448 -11.182 1.392 1.00 60.15 H new ATOM 0 HA VAL A 32 22.103 -11.967 3.729 1.00 10.31 H new ATOM 0 HB VAL A 32 24.885 -12.641 2.680 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.677 -14.699 4.051 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.646 -13.238 5.067 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.133 -14.103 4.706 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.747 -14.643 1.738 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.189 -14.039 2.349 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.057 -13.139 1.083 1.00 24.05 H new ATOM 528 N ALA A 33 24.880 -10.227 4.240 1.00 53.45 N ATOM 529 CA ALA A 33 25.584 -9.448 5.252 1.00 55.04 C ATOM 530 C ALA A 33 24.641 -8.419 5.862 1.00 52.23 C ATOM 531 O ALA A 33 24.580 -8.258 7.082 1.00 54.14 O ATOM 532 CB ALA A 33 26.797 -8.743 4.633 1.00 50.32 C ATOM 0 H ALA A 33 25.295 -10.193 3.309 1.00 53.45 H new ATOM 0 HA ALA A 33 25.933 -10.122 6.034 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.313 -8.165 5.400 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.478 -9.487 4.219 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.463 -8.075 3.839 1.00 50.32 H new ATOM 538 N SER A 34 23.839 -7.799 5.018 1.00 20.42 N ATOM 539 CA SER A 34 22.842 -6.851 5.471 1.00 42.23 C ATOM 540 C SER A 34 21.847 -7.551 6.378 1.00 51.41 C ATOM 541 O SER A 34 21.403 -6.999 7.383 1.00 74.05 O ATOM 542 CB SER A 34 22.108 -6.256 4.273 1.00 22.13 C ATOM 543 OG SER A 34 23.021 -6.130 3.184 1.00 22.31 O ATOM 0 H SER A 34 23.860 -7.937 4.008 1.00 20.42 H new ATOM 0 HA SER A 34 23.336 -6.051 6.022 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.270 -6.894 3.990 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.694 -5.282 4.531 1.00 22.13 H new ATOM 0 HG SER A 34 22.705 -5.434 2.571 1.00 22.31 H new ATOM 549 N LEU A 35 21.504 -8.776 6.021 1.00 42.51 N ATOM 550 CA LEU A 35 20.567 -9.557 6.811 1.00 60.21 C ATOM 551 C LEU A 35 21.141 -9.772 8.198 1.00 12.50 C ATOM 552 O LEU A 35 20.468 -9.535 9.205 1.00 51.11 O ATOM 553 CB LEU A 35 20.310 -10.913 6.147 1.00 20.44 C ATOM 554 CG LEU A 35 18.804 -11.223 6.119 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.579 -12.640 5.605 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.210 -11.107 7.523 1.00 72.44 C ATOM 0 H LEU A 35 21.859 -9.251 5.191 1.00 42.51 H new ATOM 0 HA LEU A 35 19.623 -9.017 6.880 1.00 60.21 H new ATOM 0 HB2 LEU A 35 20.705 -10.908 5.131 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.838 -11.696 6.690 1.00 20.44 H new ATOM 0 HG LEU A 35 18.316 -10.505 5.460 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.511 -12.855 5.587 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.984 -12.730 4.597 1.00 4.13 H new ATOM 0 HD13 LEU A 35 19.081 -13.350 6.263 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.144 -11.329 7.486 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.706 -11.815 8.187 1.00 72.44 H new ATOM 0 HD23 LEU A 35 18.357 -10.094 7.898 1.00 72.44 H new ATOM 568 N LYS A 36 22.427 -10.083 8.250 1.00 34.21 N ATOM 569 CA LYS A 36 23.104 -10.185 9.527 1.00 44.21 C ATOM 570 C LYS A 36 23.059 -8.854 10.226 1.00 31.00 C ATOM 571 O LYS A 36 22.872 -8.784 11.447 1.00 33.33 O ATOM 572 CB LYS A 36 24.568 -10.566 9.339 1.00 43.15 C ATOM 573 CG LYS A 36 24.711 -12.015 8.908 1.00 4.03 C ATOM 574 CD LYS A 36 26.203 -12.306 8.752 1.00 65.42 C ATOM 575 CE LYS A 36 26.428 -13.794 8.519 1.00 65.21 C ATOM 576 NZ LYS A 36 25.644 -14.237 7.341 1.00 35.45 N ATOM 0 H LYS A 36 23.013 -10.266 7.435 1.00 34.21 H new ATOM 0 HA LYS A 36 22.600 -10.952 10.114 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.022 -9.916 8.591 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.110 -10.407 10.271 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.267 -12.680 9.648 1.00 4.03 H new ATOM 0 HG3 LYS A 36 24.187 -12.188 7.968 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.607 -11.735 7.916 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.739 -11.985 9.646 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.488 -13.991 8.358 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.129 -14.360 9.401 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 24.832 -14.805 7.658 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 25.302 -13.405 6.819 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 26.247 -14.812 6.719 1.00 35.45 H new ATOM 590 N ASP A 37 23.267 -7.803 9.458 1.00 21.40 N ATOM 591 CA ASP A 37 23.295 -6.468 10.010 1.00 31.33 C ATOM 592 C ASP A 37 21.984 -6.136 10.693 1.00 3.04 C ATOM 593 O ASP A 37 21.970 -5.836 11.883 1.00 73.14 O ATOM 594 CB ASP A 37 23.570 -5.445 8.905 1.00 1.34 C ATOM 595 CG ASP A 37 23.617 -4.049 9.485 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.524 -3.773 10.229 1.00 11.04 O ATOM 597 OD2 ASP A 37 22.761 -3.266 9.161 1.00 52.50 O ATOM 0 H ASP A 37 23.419 -7.850 8.450 1.00 21.40 H new ATOM 0 HA ASP A 37 24.094 -6.427 10.750 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.516 -5.675 8.414 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.793 -5.504 8.143 1.00 1.34 H new ATOM 602 N MET A 38 20.865 -6.303 9.985 1.00 34.44 N ATOM 603 CA MET A 38 19.570 -6.008 10.600 1.00 41.13 C ATOM 604 C MET A 38 19.340 -6.911 11.778 1.00 34.34 C ATOM 605 O MET A 38 18.886 -6.469 12.817 1.00 71.22 O ATOM 606 CB MET A 38 18.382 -6.125 9.640 1.00 41.21 C ATOM 607 CG MET A 38 18.793 -6.753 8.320 1.00 23.15 C ATOM 608 SD MET A 38 17.291 -7.252 7.432 1.00 32.15 S ATOM 609 CE MET A 38 16.658 -8.436 8.659 1.00 74.35 C ATOM 0 H MET A 38 20.827 -6.629 9.019 1.00 34.44 H new ATOM 0 HA MET A 38 19.622 -4.965 10.912 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.598 -6.725 10.101 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.961 -5.136 9.458 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.368 -6.043 7.725 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.435 -7.616 8.494 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.248 -9.306 8.147 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.470 -8.750 9.314 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.876 -7.962 9.252 1.00 74.35 H new ATOM 619 N VAL A 39 19.721 -8.166 11.642 1.00 14.41 N ATOM 620 CA VAL A 39 19.603 -9.089 12.741 1.00 25.32 C ATOM 621 C VAL A 39 20.434 -8.558 13.890 1.00 51.44 C ATOM 622 O VAL A 39 19.967 -8.482 15.033 1.00 21.33 O ATOM 623 CB VAL A 39 20.065 -10.492 12.324 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.058 -11.436 13.534 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.116 -11.045 11.253 1.00 65.31 C ATOM 0 H VAL A 39 20.111 -8.563 10.787 1.00 14.41 H new ATOM 0 HA VAL A 39 18.561 -9.176 13.050 1.00 25.32 H new ATOM 0 HB VAL A 39 21.078 -10.425 11.927 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.388 -12.428 13.224 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.733 -11.052 14.299 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.048 -11.500 13.940 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.443 -12.041 10.956 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.105 -11.100 11.656 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.125 -10.387 10.384 1.00 65.31 H new ATOM 635 N PHE A 40 21.624 -8.089 13.573 1.00 3.12 N ATOM 636 CA PHE A 40 22.432 -7.434 14.568 1.00 33.42 C ATOM 637 C PHE A 40 21.720 -6.198 15.086 1.00 2.10 C ATOM 638 O PHE A 40 21.650 -5.980 16.291 1.00 42.22 O ATOM 639 CB PHE A 40 23.804 -7.066 14.016 1.00 31.43 C ATOM 640 CG PHE A 40 24.578 -6.327 15.083 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.034 -7.005 16.218 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.828 -4.958 14.941 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.740 -6.316 17.208 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.531 -4.271 15.930 1.00 33.14 C ATOM 645 CZ PHE A 40 25.989 -4.950 17.062 1.00 34.32 C ATOM 0 H PHE A 40 22.044 -8.150 12.646 1.00 3.12 H new ATOM 0 HA PHE A 40 22.583 -8.130 15.393 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.342 -7.964 13.714 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.698 -6.444 13.127 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.840 -8.062 16.330 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.476 -4.433 14.065 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.092 -6.839 18.085 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.722 -3.214 15.821 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.537 -4.417 17.825 1.00 34.32 H new ATOM 655 N LEU A 41 21.179 -5.384 14.179 1.00 22.50 N ATOM 656 CA LEU A 41 20.498 -4.168 14.617 1.00 60.20 C ATOM 657 C LEU A 41 19.322 -4.565 15.474 1.00 62.30 C ATOM 658 O LEU A 41 18.965 -3.885 16.441 1.00 2.04 O ATOM 659 CB LEU A 41 19.905 -3.394 13.420 1.00 64.43 C ATOM 660 CG LEU A 41 20.985 -2.981 12.433 1.00 14.35 C ATOM 661 CD1 LEU A 41 20.377 -2.199 11.263 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.063 -2.170 13.117 1.00 2.24 C ATOM 0 H LEU A 41 21.197 -5.537 13.171 1.00 22.50 H new ATOM 0 HA LEU A 41 21.224 -3.550 15.145 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.166 -4.015 12.914 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.383 -2.508 13.781 1.00 64.43 H new ATOM 0 HG LEU A 41 21.446 -3.886 12.038 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.166 -1.912 10.568 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.648 -2.824 10.747 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.884 -1.304 11.641 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.823 -1.887 12.389 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.623 -1.271 13.550 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.521 -2.766 13.907 1.00 2.24 H new ATOM 674 N ASP A 42 18.620 -5.564 14.998 1.00 3.40 N ATOM 675 CA ASP A 42 17.372 -5.979 15.606 1.00 20.53 C ATOM 676 C ASP A 42 17.588 -6.764 16.879 1.00 55.41 C ATOM 677 O ASP A 42 16.874 -6.569 17.860 1.00 3.34 O ATOM 678 CB ASP A 42 16.549 -6.819 14.634 1.00 22.22 C ATOM 679 CG ASP A 42 15.116 -6.861 15.096 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.485 -5.831 15.063 1.00 75.41 O ATOM 681 OD2 ASP A 42 14.659 -7.909 15.458 1.00 72.43 O ATOM 0 H ASP A 42 18.893 -6.112 14.182 1.00 3.40 H new ATOM 0 HA ASP A 42 16.831 -5.066 15.856 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.607 -6.395 13.631 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.954 -7.829 14.577 1.00 22.22 H new ATOM 686 N TYR A 43 18.485 -7.737 16.819 1.00 32.23 N ATOM 687 CA TYR A 43 18.674 -8.661 17.931 1.00 3.43 C ATOM 688 C TYR A 43 20.020 -8.472 18.619 1.00 54.44 C ATOM 689 O TYR A 43 20.310 -9.155 19.607 1.00 52.22 O ATOM 690 CB TYR A 43 18.582 -10.111 17.439 1.00 12.45 C ATOM 691 CG TYR A 43 17.243 -10.379 16.789 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.111 -10.605 17.577 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.141 -10.419 15.393 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.880 -10.871 16.976 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.908 -10.689 14.788 1.00 50.22 C ATOM 696 CZ TYR A 43 14.778 -10.915 15.581 1.00 33.42 C ATOM 697 OH TYR A 43 13.563 -11.191 14.993 1.00 11.32 O ATOM 0 H TYR A 43 19.092 -7.908 16.017 1.00 32.23 H new ATOM 0 HA TYR A 43 17.884 -8.447 18.651 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.382 -10.308 16.726 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.726 -10.793 18.277 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.189 -10.574 18.654 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.014 -10.241 14.783 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.006 -11.043 17.587 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.829 -10.723 13.711 1.00 50.22 H new ATOM 0 HH TYR A 43 13.662 -11.183 14.018 1.00 11.32 H new ATOM 707 N GLY A 44 20.882 -7.630 18.059 1.00 13.32 N ATOM 708 CA GLY A 44 22.221 -7.462 18.619 1.00 51.52 C ATOM 709 C GLY A 44 23.018 -8.743 18.437 1.00 41.34 C ATOM 710 O GLY A 44 23.973 -9.005 19.167 1.00 41.15 O ATOM 0 H GLY A 44 20.685 -7.063 17.234 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.730 -6.633 18.127 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.154 -7.212 19.678 1.00 51.52 H new ATOM 714 N PHE A 45 22.568 -9.570 17.503 1.00 73.22 N ATOM 715 CA PHE A 45 23.170 -10.878 17.268 1.00 0.40 C ATOM 716 C PHE A 45 24.658 -10.757 16.954 1.00 12.32 C ATOM 717 O PHE A 45 25.026 -10.267 15.881 1.00 44.25 O ATOM 718 CB PHE A 45 22.454 -11.608 16.118 1.00 13.01 C ATOM 719 CG PHE A 45 21.437 -12.603 16.662 1.00 55.55 C ATOM 720 CD1 PHE A 45 20.717 -12.313 17.828 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.212 -13.813 15.987 1.00 43.54 C ATOM 722 CE1 PHE A 45 19.782 -13.231 18.323 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.275 -14.728 16.483 1.00 74.25 C ATOM 724 CZ PHE A 45 19.558 -14.433 17.651 1.00 11.12 C ATOM 0 H PHE A 45 21.781 -9.357 16.890 1.00 73.22 H new ATOM 0 HA PHE A 45 23.057 -11.458 18.184 1.00 0.40 H new ATOM 0 HB2 PHE A 45 21.953 -10.883 15.476 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.185 -12.129 15.500 1.00 13.01 H new ATOM 0 HD1 PHE A 45 20.883 -11.380 18.346 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.762 -14.038 15.085 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.234 -13.008 19.226 1.00 2.11 H new ATOM 0 HE2 PHE A 45 20.105 -15.661 15.966 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.832 -15.137 18.031 1.00 11.12 H new ATOM 734 N PRO A 46 25.518 -11.248 17.828 1.00 33.44 N ATOM 735 CA PRO A 46 26.997 -11.218 17.609 1.00 1.25 C ATOM 736 C PRO A 46 27.367 -11.783 16.235 1.00 72.23 C ATOM 737 O PRO A 46 27.274 -12.998 16.015 1.00 63.41 O ATOM 738 CB PRO A 46 27.552 -12.123 18.735 1.00 45.41 C ATOM 739 CG PRO A 46 26.357 -12.837 19.296 1.00 3.22 C ATOM 740 CD PRO A 46 25.190 -11.885 19.119 1.00 61.54 C ATOM 0 HA PRO A 46 27.401 -10.206 17.633 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.285 -12.830 18.346 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.054 -11.533 19.502 1.00 45.41 H new ATOM 0 HG2 PRO A 46 26.180 -13.776 18.771 1.00 3.22 H new ATOM 0 HG3 PRO A 46 26.506 -13.083 20.347 1.00 3.22 H new ATOM 0 HD2 PRO A 46 24.235 -12.409 19.086 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.127 -11.159 19.930 1.00 61.54 H new ATOM 748 N PRO A 47 27.774 -10.940 15.306 1.00 24.43 N ATOM 749 CA PRO A 47 28.078 -11.372 13.909 1.00 3.35 C ATOM 750 C PRO A 47 29.149 -12.432 13.870 1.00 32.23 C ATOM 751 O PRO A 47 29.099 -13.353 13.058 1.00 60.40 O ATOM 752 CB PRO A 47 28.561 -10.085 13.221 1.00 22.12 C ATOM 753 CG PRO A 47 28.963 -9.180 14.338 1.00 61.03 C ATOM 754 CD PRO A 47 28.000 -9.494 15.480 1.00 72.21 C ATOM 0 HA PRO A 47 27.211 -11.819 13.422 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.399 -10.285 12.553 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.771 -9.640 12.617 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.996 -9.358 14.635 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.892 -8.134 14.041 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.433 -9.264 16.453 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.074 -8.924 15.400 1.00 72.21 H new ATOM 762 N VAL A 48 30.056 -12.351 14.807 1.00 2.22 N ATOM 763 CA VAL A 48 31.075 -13.355 14.928 1.00 3.34 C ATOM 764 C VAL A 48 30.435 -14.697 15.259 1.00 13.44 C ATOM 765 O VAL A 48 30.780 -15.725 14.671 1.00 24.32 O ATOM 766 CB VAL A 48 32.091 -12.939 16.010 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.386 -12.695 17.345 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.153 -14.030 16.189 1.00 41.53 C ATOM 0 H VAL A 48 30.109 -11.601 15.496 1.00 2.22 H new ATOM 0 HA VAL A 48 31.608 -13.455 13.983 1.00 3.34 H new ATOM 0 HB VAL A 48 32.571 -12.015 15.687 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.120 -12.402 18.096 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.650 -11.900 17.228 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.885 -13.609 17.664 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.864 -13.723 16.956 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.672 -14.960 16.491 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.679 -14.184 15.247 1.00 41.53 H new ATOM 778 N LEU A 49 29.517 -14.685 16.212 1.00 54.44 N ATOM 779 CA LEU A 49 28.831 -15.899 16.621 1.00 52.43 C ATOM 780 C LEU A 49 27.803 -16.352 15.601 1.00 2.01 C ATOM 781 O LEU A 49 27.638 -17.546 15.390 1.00 62.52 O ATOM 782 CB LEU A 49 28.157 -15.701 17.978 1.00 62.41 C ATOM 783 CG LEU A 49 29.230 -15.570 19.065 1.00 55.31 C ATOM 784 CD1 LEU A 49 28.605 -15.056 20.364 1.00 45.40 C ATOM 785 CD2 LEU A 49 29.869 -16.935 19.324 1.00 21.42 C ATOM 0 H LEU A 49 29.230 -13.847 16.717 1.00 54.44 H new ATOM 0 HA LEU A 49 29.588 -16.679 16.698 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.532 -14.808 17.959 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.502 -16.544 18.198 1.00 62.41 H new ATOM 0 HG LEU A 49 29.988 -14.865 18.726 1.00 55.31 H new ATOM 0 HD11 LEU A 49 29.377 -14.967 21.129 1.00 45.40 H new ATOM 0 HD12 LEU A 49 28.153 -14.080 20.189 1.00 45.40 H new ATOM 0 HD13 LEU A 49 27.839 -15.755 20.701 1.00 45.40 H new ATOM 0 HD21 LEU A 49 30.631 -16.839 20.097 1.00 21.42 H new ATOM 0 HD22 LEU A 49 29.104 -17.638 19.654 1.00 21.42 H new ATOM 0 HD23 LEU A 49 30.328 -17.302 18.406 1.00 21.42 H new ATOM 797 N GLN A 50 27.070 -15.408 15.010 1.00 62.55 N ATOM 798 CA GLN A 50 25.983 -15.798 14.110 1.00 24.52 C ATOM 799 C GLN A 50 26.490 -16.260 12.756 1.00 43.40 C ATOM 800 O GLN A 50 26.654 -15.460 11.827 1.00 65.42 O ATOM 801 CB GLN A 50 24.892 -14.703 13.959 1.00 53.50 C ATOM 802 CG GLN A 50 25.499 -13.369 13.536 1.00 42.03 C ATOM 803 CD GLN A 50 24.444 -12.518 12.843 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.729 -13.009 11.957 1.00 22.04 O ATOM 805 NE2 GLN A 50 24.285 -11.279 13.197 1.00 23.53 N ATOM 0 H GLN A 50 27.200 -14.404 15.130 1.00 62.55 H new ATOM 0 HA GLN A 50 25.504 -16.652 14.589 1.00 24.52 H new ATOM 0 HB2 GLN A 50 24.156 -15.020 13.221 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.363 -14.581 14.904 1.00 53.50 H new ATOM 0 HG2 GLN A 50 25.888 -12.843 14.408 1.00 42.03 H new ATOM 0 HG3 GLN A 50 26.341 -13.539 12.865 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.874 -10.877 13.926 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.571 -10.707 12.746 1.00 23.53 H new ATOM 814 N GLN A 51 26.626 -17.560 12.610 1.00 50.00 N ATOM 815 CA GLN A 51 27.000 -18.141 11.341 1.00 5.12 C ATOM 816 C GLN A 51 25.763 -18.678 10.658 1.00 24.14 C ATOM 817 O GLN A 51 25.025 -19.491 11.230 1.00 52.33 O ATOM 818 CB GLN A 51 28.030 -19.250 11.561 1.00 32.34 C ATOM 819 CG GLN A 51 29.305 -18.617 12.134 1.00 40.52 C ATOM 820 CD GLN A 51 29.821 -19.443 13.298 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.392 -19.193 14.488 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 30.630 -20.349 13.116 1.00 64.45 N flip ATOM 0 H GLN A 51 26.482 -18.237 13.359 1.00 50.00 H new ATOM 0 HA GLN A 51 27.452 -17.382 10.703 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.638 -20.002 12.246 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.248 -19.758 10.621 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.068 -18.552 11.358 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.098 -17.599 12.464 1.00 40.52 H new ATOM 0 HE21 GLN A 51 30.970 -20.548 12.175 1.00 64.45 H new ATOM 0 HE22 GLN A 51 30.962 -20.903 13.906 1.00 64.45 H new ATOM 831 N TRP A 52 25.502 -18.186 9.469 1.00 42.04 N ATOM 832 CA TRP A 52 24.316 -18.572 8.732 1.00 31.04 C ATOM 833 C TRP A 52 24.646 -19.756 7.871 1.00 72.42 C ATOM 834 O TRP A 52 25.657 -19.736 7.164 1.00 1.43 O ATOM 835 CB TRP A 52 23.874 -17.410 7.838 1.00 75.43 C ATOM 836 CG TRP A 52 23.316 -16.295 8.673 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.991 -15.616 9.634 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.981 -15.714 8.625 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.150 -14.658 10.182 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.901 -14.679 9.591 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.846 -15.984 7.845 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.730 -13.945 9.772 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.671 -15.248 8.028 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.617 -14.230 8.983 1.00 64.43 C ATOM 0 H TRP A 52 26.098 -17.513 8.987 1.00 42.04 H new ATOM 0 HA TRP A 52 23.514 -18.825 9.426 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.721 -17.048 7.255 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.122 -17.754 7.128 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.016 -15.792 9.925 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.420 -14.018 10.929 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.880 -16.764 7.099 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.686 -13.163 10.516 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.801 -15.468 7.428 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.708 -13.661 9.111 1.00 64.43 H new ATOM 855 N VAL A 53 23.814 -20.775 7.896 1.00 64.50 N ATOM 856 CA VAL A 53 24.084 -21.931 7.073 1.00 13.22 C ATOM 857 C VAL A 53 23.113 -21.981 5.911 1.00 24.40 C ATOM 858 O VAL A 53 21.901 -22.136 6.097 1.00 52.11 O ATOM 859 CB VAL A 53 23.981 -23.218 7.908 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.579 -24.392 7.124 1.00 70.32 C ATOM 861 CG2 VAL A 53 24.731 -23.042 9.241 1.00 70.32 C ATOM 0 H VAL A 53 22.967 -20.827 8.462 1.00 64.50 H new ATOM 0 HA VAL A 53 25.098 -21.852 6.681 1.00 13.22 H new ATOM 0 HB VAL A 53 22.931 -23.424 8.118 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.504 -25.302 7.719 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.032 -24.523 6.190 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.627 -24.187 6.905 1.00 70.32 H new ATOM 0 HG21 VAL A 53 24.653 -23.958 9.826 1.00 70.32 H new ATOM 0 HG22 VAL A 53 25.781 -22.827 9.042 1.00 70.32 H new ATOM 0 HG23 VAL A 53 24.291 -22.216 9.800 1.00 70.32 H new ATOM 871 N ILE A 54 23.672 -21.959 4.720 1.00 31.32 N ATOM 872 CA ILE A 54 22.933 -22.135 3.493 1.00 2.42 C ATOM 873 C ILE A 54 23.848 -22.873 2.515 1.00 55.44 C ATOM 874 O ILE A 54 24.964 -22.414 2.245 1.00 64.42 O ATOM 875 CB ILE A 54 22.482 -20.760 2.936 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.598 -20.050 3.979 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.671 -20.933 1.647 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.240 -18.650 3.473 1.00 33.44 C ATOM 0 H ILE A 54 24.672 -21.815 4.577 1.00 31.32 H new ATOM 0 HA ILE A 54 22.026 -22.717 3.657 1.00 2.42 H new ATOM 0 HB ILE A 54 23.373 -20.169 2.722 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.691 -20.628 4.157 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.124 -19.981 4.931 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.366 -19.955 1.275 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.284 -21.432 0.896 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.786 -21.536 1.852 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.614 -18.146 4.210 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.153 -18.075 3.318 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.698 -18.731 2.531 1.00 33.44 H new ATOM 890 N GLY A 55 23.429 -24.044 2.067 1.00 44.24 N ATOM 891 CA GLY A 55 24.282 -24.901 1.241 1.00 72.21 C ATOM 892 C GLY A 55 24.721 -24.207 -0.031 1.00 2.10 C ATOM 893 O GLY A 55 25.847 -24.397 -0.498 1.00 62.13 O ATOM 0 H GLY A 55 22.504 -24.429 2.258 1.00 44.24 H new ATOM 0 HA2 GLY A 55 25.161 -25.198 1.814 1.00 72.21 H new ATOM 0 HA3 GLY A 55 23.743 -25.814 0.988 1.00 72.21 H new ATOM 897 N GLN A 56 23.811 -23.467 -0.628 1.00 71.41 N ATOM 898 CA GLN A 56 24.080 -22.806 -1.903 1.00 61.53 C ATOM 899 C GLN A 56 24.633 -21.401 -1.711 1.00 71.41 C ATOM 900 O GLN A 56 24.712 -20.625 -2.668 1.00 14.44 O ATOM 901 CB GLN A 56 22.809 -22.755 -2.753 1.00 1.42 C ATOM 902 CG GLN A 56 22.307 -24.183 -3.012 1.00 54.32 C ATOM 903 CD GLN A 56 23.338 -24.959 -3.824 1.00 14.01 C ATOM 904 OE1 GLN A 56 23.692 -24.547 -4.928 1.00 34.33 O ATOM 905 NE2 GLN A 56 23.854 -26.045 -3.341 1.00 5.11 N ATOM 0 H GLN A 56 22.875 -23.303 -0.256 1.00 71.41 H new ATOM 0 HA GLN A 56 24.839 -23.393 -2.419 1.00 61.53 H new ATOM 0 HB2 GLN A 56 22.040 -22.175 -2.242 1.00 1.42 H new ATOM 0 HB3 GLN A 56 23.011 -22.252 -3.699 1.00 1.42 H new ATOM 0 HG2 GLN A 56 22.122 -24.690 -2.065 1.00 54.32 H new ATOM 0 HG3 GLN A 56 21.358 -24.152 -3.548 1.00 54.32 H new ATOM 0 HE21 GLN A 56 23.560 -26.386 -2.426 1.00 5.11 H new ATOM 0 HE22 GLN A 56 24.554 -26.559 -3.876 1.00 5.11 H new ATOM 914 N ARG A 57 24.935 -21.042 -0.474 1.00 54.23 N ATOM 915 CA ARG A 57 25.394 -19.689 -0.180 1.00 14.45 C ATOM 916 C ARG A 57 26.709 -19.429 -0.890 1.00 42.21 C ATOM 917 O ARG A 57 27.647 -20.234 -0.791 1.00 54.43 O ATOM 918 CB ARG A 57 25.644 -19.504 1.318 1.00 41.54 C ATOM 919 CG ARG A 57 25.464 -18.028 1.686 1.00 32.25 C ATOM 920 CD ARG A 57 25.994 -17.784 3.095 1.00 32.13 C ATOM 921 NE ARG A 57 27.453 -17.815 3.072 1.00 22.13 N ATOM 922 CZ ARG A 57 28.195 -18.210 4.108 1.00 2.30 C ATOM 923 NH1 ARG A 57 27.638 -18.733 5.167 1.00 74.12 N ATOM 924 NH2 ARG A 57 29.480 -18.112 4.043 1.00 71.11 N ATOM 0 H ARG A 57 24.873 -21.658 0.336 1.00 54.23 H new ATOM 0 HA ARG A 57 24.618 -19.001 -0.515 1.00 14.45 H new ATOM 0 HB2 ARG A 57 24.952 -20.120 1.892 1.00 41.54 H new ATOM 0 HB3 ARG A 57 26.651 -19.833 1.573 1.00 41.54 H new ATOM 0 HG2 ARG A 57 25.995 -17.398 0.973 1.00 32.25 H new ATOM 0 HG3 ARG A 57 24.410 -17.755 1.630 1.00 32.25 H new ATOM 0 HD2 ARG A 57 25.645 -16.820 3.466 1.00 32.13 H new ATOM 0 HD3 ARG A 57 25.613 -18.545 3.776 1.00 32.13 H new ATOM 0 HE ARG A 57 27.930 -17.519 2.220 1.00 22.13 H new ATOM 0 HH11 ARG A 57 26.625 -18.843 5.208 1.00 74.12 H new ATOM 0 HH12 ARG A 57 28.216 -19.031 5.953 1.00 74.12 H new ATOM 0 HH21 ARG A 57 29.921 -17.735 3.204 1.00 71.11 H new ATOM 0 HH22 ARG A 57 30.055 -18.412 4.831 1.00 71.11 H new ATOM 938 N LEU A 58 26.828 -18.261 -1.476 1.00 65.05 N ATOM 939 CA LEU A 58 28.091 -17.835 -2.047 1.00 31.53 C ATOM 940 C LEU A 58 29.018 -17.361 -0.936 1.00 54.55 C ATOM 941 O LEU A 58 28.551 -16.957 0.134 1.00 13.21 O ATOM 942 CB LEU A 58 27.881 -16.719 -3.073 1.00 52.33 C ATOM 943 CG LEU A 58 26.970 -17.220 -4.210 1.00 32.24 C ATOM 944 CD1 LEU A 58 26.773 -16.115 -5.252 1.00 61.12 C ATOM 945 CD2 LEU A 58 27.585 -18.454 -4.876 1.00 55.40 C ATOM 0 H LEU A 58 26.069 -17.587 -1.572 1.00 65.05 H new ATOM 0 HA LEU A 58 28.544 -18.682 -2.561 1.00 31.53 H new ATOM 0 HB2 LEU A 58 27.433 -15.850 -2.592 1.00 52.33 H new ATOM 0 HB3 LEU A 58 28.841 -16.399 -3.478 1.00 52.33 H new ATOM 0 HG LEU A 58 26.002 -17.490 -3.787 1.00 32.24 H new ATOM 0 HD11 LEU A 58 26.128 -16.479 -6.051 1.00 61.12 H new ATOM 0 HD12 LEU A 58 26.311 -15.248 -4.780 1.00 61.12 H new ATOM 0 HD13 LEU A 58 27.740 -15.830 -5.668 1.00 61.12 H new ATOM 0 HD21 LEU A 58 26.932 -18.798 -5.678 1.00 55.40 H new ATOM 0 HD22 LEU A 58 28.561 -18.197 -5.288 1.00 55.40 H new ATOM 0 HD23 LEU A 58 27.701 -19.247 -4.137 1.00 55.40 H new ATOM 957 N ALA A 59 30.323 -17.413 -1.180 1.00 35.55 N ATOM 958 CA ALA A 59 31.291 -16.949 -0.187 1.00 42.01 C ATOM 959 C ALA A 59 31.044 -15.483 0.112 1.00 65.22 C ATOM 960 O ALA A 59 31.385 -14.982 1.185 1.00 41.30 O ATOM 961 CB ALA A 59 32.729 -17.157 -0.681 1.00 11.31 C ATOM 0 H ALA A 59 30.733 -17.767 -2.044 1.00 35.55 H new ATOM 0 HA ALA A 59 31.164 -17.532 0.725 1.00 42.01 H new ATOM 0 HB1 ALA A 59 33.429 -16.804 0.076 1.00 11.31 H new ATOM 0 HB2 ALA A 59 32.900 -18.217 -0.866 1.00 11.31 H new ATOM 0 HB3 ALA A 59 32.881 -16.598 -1.604 1.00 11.31 H new ATOM 967 N ARG A 60 30.460 -14.803 -0.847 1.00 75.14 N ATOM 968 CA ARG A 60 30.140 -13.393 -0.730 1.00 23.34 C ATOM 969 C ARG A 60 29.049 -13.178 0.319 1.00 54.11 C ATOM 970 O ARG A 60 27.879 -13.446 0.055 1.00 12.14 O ATOM 971 CB ARG A 60 29.640 -12.904 -2.093 1.00 30.40 C ATOM 972 CG ARG A 60 29.355 -11.400 -2.080 1.00 11.11 C ATOM 973 CD ARG A 60 28.750 -11.015 -3.434 1.00 21.13 C ATOM 974 NE ARG A 60 29.735 -11.242 -4.487 1.00 41.43 N ATOM 975 CZ ARG A 60 29.390 -11.396 -5.771 1.00 20.23 C ATOM 976 NH1 ARG A 60 28.133 -11.407 -6.126 1.00 64.24 N ATOM 977 NH2 ARG A 60 30.313 -11.565 -6.667 1.00 14.15 N ATOM 0 H ARG A 60 30.190 -15.214 -1.741 1.00 75.14 H new ATOM 0 HA ARG A 60 31.027 -12.839 -0.422 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.385 -13.127 -2.857 1.00 30.40 H new ATOM 0 HB3 ARG A 60 28.733 -13.445 -2.364 1.00 30.40 H new ATOM 0 HG2 ARG A 60 28.667 -11.151 -1.272 1.00 11.11 H new ATOM 0 HG3 ARG A 60 30.273 -10.841 -1.901 1.00 11.11 H new ATOM 0 HD2 ARG A 60 27.854 -11.605 -3.626 1.00 21.13 H new ATOM 0 HD3 ARG A 60 28.446 -9.968 -3.425 1.00 21.13 H new ATOM 0 HE ARG A 60 30.722 -11.285 -4.235 1.00 41.43 H new ATOM 0 HH11 ARG A 60 27.403 -11.298 -5.422 1.00 64.24 H new ATOM 0 HH12 ARG A 60 27.881 -11.525 -7.107 1.00 64.24 H new ATOM 0 HH21 ARG A 60 31.295 -11.580 -6.391 1.00 14.15 H new ATOM 0 HH22 ARG A 60 30.057 -11.683 -7.647 1.00 14.15 H new ATOM 991 N ASP A 61 29.392 -12.549 1.440 1.00 5.24 N ATOM 992 CA ASP A 61 28.364 -12.181 2.417 1.00 62.30 C ATOM 993 C ASP A 61 27.520 -11.051 1.864 1.00 23.25 C ATOM 994 O ASP A 61 26.370 -10.843 2.279 1.00 41.02 O ATOM 995 CB ASP A 61 28.951 -11.797 3.796 1.00 4.03 C ATOM 996 CG ASP A 61 29.720 -10.479 3.759 1.00 13.24 C ATOM 997 OD1 ASP A 61 30.151 -10.078 2.704 1.00 24.14 O ATOM 998 OD2 ASP A 61 29.871 -9.883 4.803 1.00 33.05 O ATOM 0 H ASP A 61 30.345 -12.288 1.693 1.00 5.24 H new ATOM 0 HA ASP A 61 27.743 -13.061 2.584 1.00 62.30 H new ATOM 0 HB2 ASP A 61 28.142 -11.721 4.523 1.00 4.03 H new ATOM 0 HB3 ASP A 61 29.614 -12.591 4.139 1.00 4.03 H new ATOM 1003 N GLN A 62 28.093 -10.339 0.906 1.00 12.52 N ATOM 1004 CA GLN A 62 27.405 -9.256 0.238 1.00 34.33 C ATOM 1005 C GLN A 62 26.298 -9.790 -0.664 1.00 44.45 C ATOM 1006 O GLN A 62 25.514 -9.013 -1.225 1.00 1.43 O ATOM 1007 CB GLN A 62 28.380 -8.402 -0.579 1.00 0.02 C ATOM 1008 CG GLN A 62 29.342 -7.686 0.364 1.00 25.23 C ATOM 1009 CD GLN A 62 30.344 -6.871 -0.438 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.076 -7.423 -1.255 1.00 1.45 O ATOM 1011 NE2 GLN A 62 30.423 -5.590 -0.259 1.00 15.21 N ATOM 0 H GLN A 62 29.044 -10.498 0.574 1.00 12.52 H new ATOM 0 HA GLN A 62 26.957 -8.627 1.008 1.00 34.33 H new ATOM 0 HB2 GLN A 62 28.936 -9.031 -1.274 1.00 0.02 H new ATOM 0 HB3 GLN A 62 27.830 -7.674 -1.176 1.00 0.02 H new ATOM 0 HG2 GLN A 62 28.786 -7.034 1.038 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.866 -8.413 0.984 1.00 25.23 H new ATOM 0 HE21 GLN A 62 29.815 -5.131 0.420 1.00 15.21 H new ATOM 0 HE22 GLN A 62 31.093 -5.040 -0.797 1.00 15.21 H new ATOM 1020 N GLU A 63 26.321 -11.091 -0.925 1.00 4.31 N ATOM 1021 CA GLU A 63 25.382 -11.656 -1.876 1.00 63.23 C ATOM 1022 C GLU A 63 23.943 -11.355 -1.509 1.00 22.23 C ATOM 1023 O GLU A 63 23.590 -11.198 -0.326 1.00 10.12 O ATOM 1024 CB GLU A 63 25.578 -13.165 -2.106 1.00 4.24 C ATOM 1025 CG GLU A 63 25.938 -13.444 -3.579 1.00 13.54 C ATOM 1026 CD GLU A 63 25.234 -12.472 -4.515 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.018 -12.490 -4.564 1.00 33.23 O ATOM 1028 OE2 GLU A 63 25.922 -11.705 -5.156 1.00 51.42 O ATOM 0 H GLU A 63 26.965 -11.759 -0.501 1.00 4.31 H new ATOM 0 HA GLU A 63 25.603 -11.160 -2.821 1.00 63.23 H new ATOM 0 HB2 GLU A 63 26.369 -13.538 -1.455 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.667 -13.701 -1.840 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.017 -13.364 -3.713 1.00 13.54 H new ATOM 0 HG3 GLU A 63 25.659 -14.466 -3.836 1.00 13.54 H new ATOM 1035 N THR A 64 23.136 -11.276 -2.538 1.00 35.12 N ATOM 1036 CA THR A 64 21.729 -10.997 -2.430 1.00 71.14 C ATOM 1037 C THR A 64 21.019 -12.165 -1.749 1.00 54.02 C ATOM 1038 O THR A 64 21.391 -13.331 -1.946 1.00 2.04 O ATOM 1039 CB THR A 64 21.157 -10.810 -3.841 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.234 -10.632 -4.772 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.263 -9.571 -3.876 1.00 70.13 C ATOM 0 H THR A 64 23.450 -11.408 -3.499 1.00 35.12 H new ATOM 0 HA THR A 64 21.578 -10.094 -1.838 1.00 71.14 H new ATOM 0 HB THR A 64 20.574 -11.691 -4.110 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.657 -11.498 -4.953 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.859 -9.442 -4.880 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.443 -9.694 -3.168 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.848 -8.692 -3.605 1.00 70.13 H new ATOM 1049 N LEU A 65 19.953 -11.872 -1.023 1.00 11.25 N ATOM 1050 CA LEU A 65 19.179 -12.925 -0.386 1.00 22.02 C ATOM 1051 C LEU A 65 18.609 -13.831 -1.455 1.00 11.33 C ATOM 1052 O LEU A 65 18.592 -15.055 -1.309 1.00 62.22 O ATOM 1053 CB LEU A 65 18.036 -12.353 0.458 1.00 34.52 C ATOM 1054 CG LEU A 65 18.589 -11.534 1.632 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.433 -10.959 2.452 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.484 -12.396 2.525 1.00 30.03 C ATOM 0 H LEU A 65 19.607 -10.926 -0.861 1.00 11.25 H new ATOM 0 HA LEU A 65 19.839 -13.483 0.278 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.398 -11.724 -0.163 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.414 -13.165 0.835 1.00 34.52 H new ATOM 0 HG LEU A 65 19.190 -10.718 1.231 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.831 -10.378 3.284 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.823 -10.315 1.819 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.820 -11.774 2.838 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.864 -11.793 3.350 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.906 -13.231 2.922 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.320 -12.779 1.940 1.00 30.03 H new ATOM 1068 N HIS A 66 18.178 -13.222 -2.548 1.00 73.23 N ATOM 1069 CA HIS A 66 17.610 -13.963 -3.668 1.00 34.14 C ATOM 1070 C HIS A 66 18.504 -15.150 -4.020 1.00 10.32 C ATOM 1071 O HIS A 66 18.021 -16.229 -4.380 1.00 1.13 O ATOM 1072 CB HIS A 66 17.471 -13.038 -4.885 1.00 25.42 C ATOM 1073 CG HIS A 66 16.088 -13.144 -5.472 1.00 52.33 C ATOM 1074 ND1 HIS A 66 15.471 -12.073 -6.095 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.195 -14.180 -5.546 1.00 15.50 C ATOM 1076 CE1 HIS A 66 14.261 -12.481 -6.514 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.038 -13.754 -6.207 1.00 53.54 N ATOM 0 H HIS A 66 18.210 -12.212 -2.686 1.00 73.23 H new ATOM 0 HA HIS A 66 16.625 -14.334 -3.384 1.00 34.14 H new ATOM 0 HB2 HIS A 66 17.670 -12.007 -4.591 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.213 -13.303 -5.638 1.00 25.42 H new ATOM 0 HD2 HIS A 66 15.359 -15.173 -5.154 1.00 15.50 H new ATOM 0 HE1 HIS A 66 13.556 -11.851 -7.036 1.00 44.55 H new ATOM 0 HE2 HIS A 66 13.203 -14.303 -6.410 1.00 53.54 H new ATOM 1086 N SER A 67 19.799 -14.957 -3.885 1.00 14.51 N ATOM 1087 CA SER A 67 20.773 -15.994 -4.162 1.00 21.22 C ATOM 1088 C SER A 67 20.537 -17.226 -3.282 1.00 5.04 C ATOM 1089 O SER A 67 20.749 -18.359 -3.717 1.00 31.30 O ATOM 1090 CB SER A 67 22.174 -15.445 -3.964 1.00 53.23 C ATOM 1091 OG SER A 67 22.292 -14.236 -4.716 1.00 52.30 O ATOM 0 H SER A 67 20.208 -14.074 -3.579 1.00 14.51 H new ATOM 0 HA SER A 67 20.661 -16.310 -5.199 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.362 -15.255 -2.907 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.917 -16.171 -4.294 1.00 53.23 H new ATOM 0 HG SER A 67 23.000 -13.678 -4.330 1.00 52.30 H new ATOM 1097 N HIS A 68 20.034 -17.006 -2.070 1.00 71.23 N ATOM 1098 CA HIS A 68 19.681 -18.105 -1.176 1.00 44.15 C ATOM 1099 C HIS A 68 18.477 -18.865 -1.727 1.00 51.40 C ATOM 1100 O HIS A 68 18.168 -19.981 -1.286 1.00 71.43 O ATOM 1101 CB HIS A 68 19.439 -17.568 0.264 1.00 24.14 C ATOM 1102 CG HIS A 68 18.501 -18.448 1.062 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.716 -19.807 1.249 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.344 -18.153 1.750 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.710 -20.268 2.023 1.00 31.20 C ATOM 1106 NE2 HIS A 68 16.850 -19.299 2.350 1.00 62.11 N ATOM 0 H HIS A 68 19.862 -16.077 -1.685 1.00 71.23 H new ATOM 0 HA HIS A 68 20.509 -18.812 -1.120 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.393 -17.493 0.785 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.027 -16.561 0.208 1.00 24.14 H new ATOM 0 HD2 HIS A 68 16.891 -17.175 1.812 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.612 -21.296 2.340 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.009 -19.385 2.920 1.00 62.11 H new ATOM 1115 N GLY A 69 17.833 -18.289 -2.734 1.00 24.31 N ATOM 1116 CA GLY A 69 16.688 -18.924 -3.366 1.00 1.43 C ATOM 1117 C GLY A 69 15.404 -18.447 -2.728 1.00 24.22 C ATOM 1118 O GLY A 69 14.309 -18.835 -3.142 1.00 54.34 O ATOM 0 H GLY A 69 18.085 -17.383 -3.129 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.679 -18.695 -4.432 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.767 -20.007 -3.273 1.00 1.43 H new ATOM 1122 N VAL A 70 15.528 -17.551 -1.762 1.00 14.11 N ATOM 1123 CA VAL A 70 14.361 -16.985 -1.129 1.00 2.23 C ATOM 1124 C VAL A 70 13.767 -15.907 -2.036 1.00 63.41 C ATOM 1125 O VAL A 70 14.089 -14.727 -1.927 1.00 21.42 O ATOM 1126 CB VAL A 70 14.753 -16.416 0.251 1.00 22.03 C ATOM 1127 CG1 VAL A 70 15.996 -15.523 0.137 1.00 73.22 C ATOM 1128 CG2 VAL A 70 13.601 -15.612 0.854 1.00 4.51 C ATOM 0 H VAL A 70 16.419 -17.206 -1.406 1.00 14.11 H new ATOM 0 HA VAL A 70 13.602 -17.752 -0.974 1.00 2.23 H new ATOM 0 HB VAL A 70 14.978 -17.258 0.905 1.00 22.03 H new ATOM 0 HG11 VAL A 70 16.255 -15.132 1.121 1.00 73.22 H new ATOM 0 HG12 VAL A 70 16.830 -16.108 -0.252 1.00 73.22 H new ATOM 0 HG13 VAL A 70 15.788 -14.694 -0.539 1.00 73.22 H new ATOM 0 HG21 VAL A 70 13.900 -15.221 1.826 1.00 4.51 H new ATOM 0 HG22 VAL A 70 13.349 -14.784 0.191 1.00 4.51 H new ATOM 0 HG23 VAL A 70 12.731 -16.257 0.975 1.00 4.51 H new ATOM 1138 N ARG A 71 12.950 -16.340 -2.977 1.00 60.24 N ATOM 1139 CA ARG A 71 12.343 -15.433 -3.934 1.00 5.14 C ATOM 1140 C ARG A 71 11.313 -14.542 -3.260 1.00 73.44 C ATOM 1141 O ARG A 71 11.114 -13.391 -3.658 1.00 42.30 O ATOM 1142 CB ARG A 71 11.723 -16.194 -5.106 1.00 72.31 C ATOM 1143 CG ARG A 71 12.820 -16.964 -5.861 1.00 42.42 C ATOM 1144 CD ARG A 71 12.353 -17.265 -7.292 1.00 13.23 C ATOM 1145 NE ARG A 71 12.622 -16.103 -8.153 1.00 43.00 N ATOM 1146 CZ ARG A 71 11.658 -15.397 -8.761 1.00 42.14 C ATOM 1147 NH1 ARG A 71 10.402 -15.703 -8.580 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.983 -14.392 -9.534 1.00 31.11 N ATOM 0 H ARG A 71 12.690 -17.319 -3.100 1.00 60.24 H new ATOM 0 HA ARG A 71 13.133 -14.796 -4.333 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.964 -16.886 -4.742 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.223 -15.499 -5.780 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.738 -16.377 -5.884 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.049 -17.894 -5.340 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.871 -18.143 -7.677 1.00 13.23 H new ATOM 0 HD3 ARG A 71 11.288 -17.495 -7.297 1.00 13.23 H new ATOM 0 HE ARG A 71 13.592 -15.820 -8.295 1.00 43.00 H new ATOM 0 HH11 ARG A 71 10.149 -16.483 -7.973 1.00 15.55 H new ATOM 0 HH12 ARG A 71 9.673 -15.162 -9.045 1.00 15.55 H new ATOM 0 HH21 ARG A 71 12.964 -14.150 -9.671 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.255 -13.851 -10.000 1.00 31.11 H new ATOM 1162 N GLN A 72 10.586 -15.117 -2.319 1.00 22.33 N ATOM 1163 CA GLN A 72 9.515 -14.417 -1.624 1.00 11.22 C ATOM 1164 C GLN A 72 9.356 -14.935 -0.197 1.00 63.41 C ATOM 1165 O GLN A 72 10.114 -15.799 0.247 1.00 54.20 O ATOM 1166 CB GLN A 72 8.198 -14.534 -2.392 1.00 72.22 C ATOM 1167 CG GLN A 72 7.920 -15.986 -2.737 1.00 11.44 C ATOM 1168 CD GLN A 72 6.838 -16.034 -3.786 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.850 -15.309 -3.689 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.963 -16.817 -4.793 1.00 55.43 N ATOM 0 H GLN A 72 10.719 -16.081 -2.014 1.00 22.33 H new ATOM 0 HA GLN A 72 9.785 -13.362 -1.571 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.382 -14.132 -1.792 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.246 -13.939 -3.304 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.826 -16.467 -3.106 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.608 -16.533 -1.847 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.783 -17.418 -4.873 1.00 55.43 H new ATOM 0 HE22 GLN A 72 6.242 -16.839 -5.515 1.00 55.43 H new ATOM 1179 N ASN A 73 8.385 -14.384 0.515 1.00 71.53 N ATOM 1180 CA ASN A 73 8.110 -14.739 1.907 1.00 20.42 C ATOM 1181 C ASN A 73 7.872 -16.224 2.070 1.00 52.02 C ATOM 1182 O ASN A 73 7.500 -16.913 1.115 1.00 44.32 O ATOM 1183 CB ASN A 73 6.873 -13.979 2.402 1.00 43.42 C ATOM 1184 CG ASN A 73 5.730 -14.126 1.395 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.929 -13.920 0.191 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.555 -14.460 1.805 1.00 55.51 N ATOM 0 H ASN A 73 7.758 -13.671 0.143 1.00 71.53 H new ATOM 0 HA ASN A 73 8.986 -14.464 2.495 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.564 -14.364 3.374 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.114 -12.925 2.539 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.790 -14.554 1.137 1.00 55.51 H new ATOM 0 HD22 ASN A 73 4.390 -14.630 2.797 1.00 55.51 H new ATOM 1193 N GLY A 74 8.010 -16.702 3.295 1.00 42.33 N ATOM 1194 CA GLY A 74 7.725 -18.090 3.614 1.00 72.21 C ATOM 1195 C GLY A 74 8.976 -18.942 3.613 1.00 53.51 C ATOM 1196 O GLY A 74 8.923 -20.135 3.930 1.00 53.41 O ATOM 0 H GLY A 74 8.320 -16.144 4.090 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.249 -18.146 4.593 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.014 -18.489 2.891 1.00 72.21 H new ATOM 1200 N ASP A 75 10.110 -18.339 3.278 1.00 74.32 N ATOM 1201 CA ASP A 75 11.365 -19.070 3.288 1.00 40.23 C ATOM 1202 C ASP A 75 11.884 -19.253 4.699 1.00 33.23 C ATOM 1203 O ASP A 75 11.638 -18.424 5.581 1.00 22.31 O ATOM 1204 CB ASP A 75 12.440 -18.413 2.431 1.00 54.44 C ATOM 1205 CG ASP A 75 13.610 -19.364 2.327 1.00 32.10 C ATOM 1206 OD1 ASP A 75 13.519 -20.291 1.554 1.00 43.04 O ATOM 1207 OD2 ASP A 75 14.565 -19.182 3.034 1.00 41.44 O ATOM 0 H ASP A 75 10.184 -17.360 3.000 1.00 74.32 H new ATOM 0 HA ASP A 75 11.144 -20.045 2.854 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.048 -18.183 1.440 1.00 54.44 H new ATOM 0 HB3 ASP A 75 12.756 -17.469 2.876 1.00 54.44 H new ATOM 1212 N SER A 76 12.635 -20.309 4.887 1.00 54.11 N ATOM 1213 CA SER A 76 13.229 -20.620 6.162 1.00 54.23 C ATOM 1214 C SER A 76 14.744 -20.810 5.982 1.00 1.51 C ATOM 1215 O SER A 76 15.185 -21.363 4.971 1.00 74.44 O ATOM 1216 CB SER A 76 12.587 -21.909 6.699 1.00 52.41 C ATOM 1217 OG SER A 76 11.223 -21.965 6.266 1.00 21.32 O ATOM 0 H SER A 76 12.853 -20.983 4.153 1.00 54.11 H new ATOM 0 HA SER A 76 13.060 -19.809 6.871 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.133 -22.780 6.338 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.638 -21.930 7.788 1.00 52.41 H new ATOM 0 HG SER A 76 10.807 -21.085 6.381 1.00 21.32 H new ATOM 1223 N ALA A 77 15.532 -20.338 6.946 1.00 33.13 N ATOM 1224 CA ALA A 77 16.997 -20.439 6.862 1.00 74.42 C ATOM 1225 C ALA A 77 17.577 -20.955 8.164 1.00 71.15 C ATOM 1226 O ALA A 77 16.872 -21.048 9.175 1.00 14.41 O ATOM 1227 CB ALA A 77 17.625 -19.085 6.508 1.00 5.24 C ATOM 0 H ALA A 77 15.188 -19.883 7.792 1.00 33.13 H new ATOM 0 HA ALA A 77 17.233 -21.147 6.068 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.709 -19.190 6.453 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.243 -18.748 5.544 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.370 -18.354 7.275 1.00 5.24 H new ATOM 1233 N TYR A 78 18.857 -21.324 8.138 1.00 12.02 N ATOM 1234 CA TYR A 78 19.499 -21.860 9.324 1.00 11.21 C ATOM 1235 C TYR A 78 20.643 -20.964 9.799 1.00 11.53 C ATOM 1236 O TYR A 78 21.587 -20.679 9.047 1.00 70.42 O ATOM 1237 CB TYR A 78 20.011 -23.281 9.071 1.00 33.45 C ATOM 1238 CG TYR A 78 19.619 -24.132 10.242 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.995 -23.753 11.529 1.00 21.22 C ATOM 1240 CD2 TYR A 78 18.851 -25.280 10.048 1.00 61.00 C ATOM 1241 CE1 TYR A 78 19.610 -24.512 12.617 1.00 41.13 C ATOM 1242 CE2 TYR A 78 18.466 -26.055 11.141 1.00 1.34 C ATOM 1243 CZ TYR A 78 18.843 -25.667 12.427 1.00 43.02 C ATOM 1244 OH TYR A 78 18.464 -26.418 13.508 1.00 40.42 O ATOM 0 H TYR A 78 19.459 -21.261 7.317 1.00 12.02 H new ATOM 0 HA TYR A 78 18.747 -21.892 10.113 1.00 11.21 H new ATOM 0 HB2 TYR A 78 19.586 -23.681 8.150 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.094 -23.279 8.947 1.00 33.45 H new ATOM 0 HD1 TYR A 78 20.589 -22.863 11.676 1.00 21.22 H new ATOM 0 HD2 TYR A 78 18.554 -25.569 9.050 1.00 61.00 H new ATOM 0 HE1 TYR A 78 19.901 -24.214 13.614 1.00 41.13 H new ATOM 0 HE2 TYR A 78 17.880 -26.950 10.993 1.00 1.34 H new ATOM 0 HH TYR A 78 19.146 -27.098 13.689 1.00 40.42 H new ATOM 1254 N LEU A 79 20.582 -20.572 11.065 1.00 25.24 N ATOM 1255 CA LEU A 79 21.614 -19.756 11.692 1.00 53.21 C ATOM 1256 C LEU A 79 22.247 -20.497 12.866 1.00 53.55 C ATOM 1257 O LEU A 79 21.540 -21.055 13.714 1.00 62.25 O ATOM 1258 CB LEU A 79 21.020 -18.419 12.155 1.00 53.33 C ATOM 1259 CG LEU A 79 22.047 -17.625 12.975 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.248 -17.262 12.107 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.395 -16.341 13.492 1.00 71.21 C ATOM 0 H LEU A 79 19.812 -20.812 11.689 1.00 25.24 H new ATOM 0 HA LEU A 79 22.394 -19.556 10.957 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.708 -17.835 11.289 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.129 -18.600 12.756 1.00 53.33 H new ATOM 0 HG LEU A 79 22.384 -18.237 13.812 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.969 -16.699 12.700 1.00 75.51 H new ATOM 0 HD12 LEU A 79 23.717 -18.173 11.735 1.00 75.51 H new ATOM 0 HD13 LEU A 79 22.918 -16.654 11.265 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.121 -15.774 14.075 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.057 -15.739 12.648 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.542 -16.594 14.122 1.00 71.21 H new ATOM 1273 N TYR A 80 23.571 -20.507 12.921 1.00 5.12 N ATOM 1274 CA TYR A 80 24.274 -21.169 14.009 1.00 41.02 C ATOM 1275 C TYR A 80 25.057 -20.164 14.838 1.00 42.44 C ATOM 1276 O TYR A 80 25.830 -19.369 14.291 1.00 55.24 O ATOM 1277 CB TYR A 80 25.220 -22.255 13.472 1.00 20.13 C ATOM 1278 CG TYR A 80 24.967 -23.537 14.220 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.191 -23.595 15.601 1.00 32.42 C ATOM 1280 CD2 TYR A 80 24.495 -24.661 13.541 1.00 60.13 C ATOM 1281 CE1 TYR A 80 24.949 -24.773 16.300 1.00 4.45 C ATOM 1282 CE2 TYR A 80 24.247 -25.840 14.238 1.00 34.21 C ATOM 1283 CZ TYR A 80 24.473 -25.896 15.617 1.00 1.20 C ATOM 1284 OH TYR A 80 24.213 -27.056 16.300 1.00 2.11 O ATOM 0 H TYR A 80 24.177 -20.067 12.229 1.00 5.12 H new ATOM 0 HA TYR A 80 23.527 -21.642 14.646 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.056 -22.403 12.405 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.258 -21.945 13.595 1.00 20.13 H new ATOM 0 HD1 TYR A 80 25.553 -22.723 16.125 1.00 32.42 H new ATOM 0 HD2 TYR A 80 24.322 -24.616 12.476 1.00 60.13 H new ATOM 0 HE1 TYR A 80 25.128 -24.820 17.364 1.00 4.45 H new ATOM 0 HE2 TYR A 80 23.880 -26.711 13.714 1.00 34.21 H new ATOM 0 HH TYR A 80 23.244 -27.185 16.369 1.00 2.11 H new ATOM 1294 N LEU A 81 24.918 -20.250 16.155 1.00 0.03 N ATOM 1295 CA LEU A 81 25.701 -19.421 17.054 1.00 31.14 C ATOM 1296 C LEU A 81 26.709 -20.273 17.792 1.00 52.43 C ATOM 1297 O LEU A 81 26.368 -21.315 18.335 1.00 25.33 O ATOM 1298 CB LEU A 81 24.814 -18.663 18.046 1.00 11.44 C ATOM 1299 CG LEU A 81 24.210 -17.430 17.359 1.00 63.32 C ATOM 1300 CD1 LEU A 81 22.949 -17.823 16.607 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.870 -16.368 18.404 1.00 62.13 C ATOM 0 H LEU A 81 24.270 -20.885 16.621 1.00 0.03 H new ATOM 0 HA LEU A 81 26.226 -18.678 16.454 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.020 -19.314 18.410 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.399 -18.358 18.913 1.00 11.44 H new ATOM 0 HG LEU A 81 24.938 -17.025 16.656 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.526 -16.943 16.122 1.00 74.33 H new ATOM 0 HD12 LEU A 81 23.193 -18.571 15.853 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.222 -18.237 17.306 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.442 -15.496 17.910 1.00 62.13 H new ATOM 0 HD22 LEU A 81 23.149 -16.774 19.114 1.00 62.13 H new ATOM 0 HD23 LEU A 81 24.776 -16.076 18.934 1.00 62.13 H new ATOM 1313 N LEU A 82 27.957 -19.848 17.776 1.00 41.20 N ATOM 1314 CA LEU A 82 29.016 -20.603 18.416 1.00 33.24 C ATOM 1315 C LEU A 82 29.133 -20.266 19.885 1.00 52.35 C ATOM 1316 O LEU A 82 28.552 -19.284 20.351 1.00 61.23 O ATOM 1317 CB LEU A 82 30.357 -20.424 17.691 1.00 34.41 C ATOM 1318 CG LEU A 82 30.526 -21.518 16.609 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.050 -22.804 17.254 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.186 -21.821 15.913 1.00 74.54 C ATOM 0 H LEU A 82 28.262 -18.984 17.327 1.00 41.20 H new ATOM 0 HA LEU A 82 28.746 -21.657 18.345 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.402 -19.437 17.231 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.177 -20.480 18.407 1.00 34.41 H new ATOM 0 HG LEU A 82 31.234 -21.151 15.866 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.168 -23.572 16.490 1.00 4.22 H new ATOM 0 HD12 LEU A 82 32.014 -22.609 17.724 1.00 4.22 H new ATOM 0 HD13 LEU A 82 30.342 -23.148 18.008 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.335 -22.593 15.158 1.00 74.54 H new ATOM 0 HD22 LEU A 82 28.463 -22.169 16.651 1.00 74.54 H new ATOM 0 HD23 LEU A 82 28.810 -20.915 15.437 1.00 74.54 H new ATOM 1332 N SER A 83 29.835 -21.112 20.621 1.00 72.52 N ATOM 1333 CA SER A 83 30.001 -20.931 22.047 1.00 14.32 C ATOM 1334 C SER A 83 30.359 -19.488 22.345 1.00 12.51 C ATOM 1335 O SER A 83 31.425 -19.005 21.948 1.00 43.32 O ATOM 1336 CB SER A 83 31.100 -21.857 22.545 1.00 65.22 C ATOM 1337 OG SER A 83 31.053 -23.070 21.793 1.00 63.53 O ATOM 0 H SER A 83 30.302 -21.938 20.246 1.00 72.52 H new ATOM 0 HA SER A 83 29.068 -21.172 22.557 1.00 14.32 H new ATOM 0 HB2 SER A 83 32.074 -21.381 22.434 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.966 -22.065 23.607 1.00 65.22 H new ATOM 0 HG SER A 83 31.758 -23.675 22.104 1.00 63.53 H new ATOM 1343 N ALA A 84 29.426 -18.781 22.954 1.00 2.42 N ATOM 1344 CA ALA A 84 29.588 -17.367 23.223 1.00 12.40 C ATOM 1345 C ALA A 84 30.992 -17.063 23.690 1.00 24.54 C ATOM 1346 O ALA A 84 31.453 -17.607 24.697 1.00 65.31 O ATOM 1347 CB ALA A 84 28.572 -16.893 24.258 1.00 41.54 C ATOM 0 H ALA A 84 28.539 -19.169 23.274 1.00 2.42 H new ATOM 0 HA ALA A 84 29.412 -16.828 22.292 1.00 12.40 H new ATOM 0 HB1 ALA A 84 28.712 -15.828 24.444 1.00 41.54 H new ATOM 0 HB2 ALA A 84 27.563 -17.066 23.883 1.00 41.54 H new ATOM 0 HB3 ALA A 84 28.714 -17.446 25.187 1.00 41.54 H new ATOM 1353 N ARG A 85 31.676 -16.220 22.941 1.00 20.43 N ATOM 1354 CA ARG A 85 33.033 -15.843 23.273 1.00 2.21 C ATOM 1355 C ARG A 85 33.042 -14.861 24.420 1.00 70.24 C ATOM 1356 O ARG A 85 32.260 -13.905 24.432 1.00 2.14 O ATOM 1357 CB ARG A 85 33.705 -15.205 22.063 1.00 3.12 C ATOM 1358 CG ARG A 85 33.926 -16.257 20.976 1.00 73.00 C ATOM 1359 CD ARG A 85 34.496 -15.575 19.726 1.00 4.44 C ATOM 1360 NE ARG A 85 35.729 -14.870 20.057 1.00 10.23 N ATOM 1361 CZ ARG A 85 36.407 -14.154 19.160 1.00 63.44 C ATOM 1362 NH1 ARG A 85 36.051 -14.161 17.908 1.00 54.33 N ATOM 1363 NH2 ARG A 85 37.439 -13.467 19.538 1.00 55.53 N ATOM 0 H ARG A 85 31.311 -15.782 22.095 1.00 20.43 H new ATOM 0 HA ARG A 85 33.578 -16.740 23.566 1.00 2.21 H new ATOM 0 HB2 ARG A 85 33.086 -14.395 21.677 1.00 3.12 H new ATOM 0 HB3 ARG A 85 34.659 -14.766 22.355 1.00 3.12 H new ATOM 0 HG2 ARG A 85 34.612 -17.026 21.331 1.00 73.00 H new ATOM 0 HG3 ARG A 85 32.986 -16.754 20.737 1.00 73.00 H new ATOM 0 HD2 ARG A 85 34.690 -16.319 18.953 1.00 4.44 H new ATOM 0 HD3 ARG A 85 33.766 -14.875 19.319 1.00 4.44 H new ATOM 0 HE ARG A 85 36.086 -14.927 21.011 1.00 10.23 H new ATOM 0 HH11 ARG A 85 35.249 -14.716 17.609 1.00 54.33 H new ATOM 0 HH12 ARG A 85 36.574 -13.611 17.226 1.00 54.33 H new ATOM 0 HH21 ARG A 85 37.728 -13.477 20.516 1.00 55.53 H new ATOM 0 HH22 ARG A 85 37.963 -12.917 18.857 1.00 55.53 H new ATOM 1377 N ASN A 86 33.998 -15.006 25.315 1.00 72.42 N ATOM 1378 CA ASN A 86 34.139 -14.045 26.391 1.00 43.42 C ATOM 1379 C ASN A 86 34.712 -12.765 25.840 1.00 13.12 C ATOM 1380 O ASN A 86 35.863 -12.402 26.123 1.00 21.14 O ATOM 1381 CB ASN A 86 35.031 -14.581 27.511 1.00 53.32 C ATOM 1382 CG ASN A 86 34.936 -13.666 28.722 1.00 11.41 C ATOM 1383 OD1 ASN A 86 35.877 -12.941 29.035 1.00 50.23 O ATOM 1384 ND2 ASN A 86 33.852 -13.656 29.429 1.00 4.31 N ATOM 0 H ASN A 86 34.678 -15.766 25.321 1.00 72.42 H new ATOM 0 HA ASN A 86 33.154 -13.858 26.818 1.00 43.42 H new ATOM 0 HB2 ASN A 86 34.725 -15.592 27.781 1.00 53.32 H new ATOM 0 HB3 ASN A 86 36.064 -14.642 27.169 1.00 53.32 H new ATOM 0 HD21 ASN A 86 33.780 -13.047 30.244 1.00 4.31 H new ATOM 0 HD22 ASN A 86 33.069 -14.257 29.171 1.00 4.31 H new ATOM 1391 N THR A 87 33.941 -12.123 24.990 1.00 54.54 N ATOM 1392 CA THR A 87 34.375 -10.911 24.350 1.00 5.51 C ATOM 1393 C THR A 87 34.162 -9.741 25.298 1.00 42.40 C ATOM 1394 O THR A 87 33.084 -9.601 25.900 1.00 24.33 O ATOM 1395 CB THR A 87 33.620 -10.718 23.011 1.00 0.04 C ATOM 1396 OG1 THR A 87 33.880 -9.426 22.468 1.00 73.02 O ATOM 1397 CG2 THR A 87 32.105 -10.905 23.207 1.00 13.21 C ATOM 0 H THR A 87 33.003 -12.427 24.728 1.00 54.54 H new ATOM 0 HA THR A 87 35.438 -10.969 24.116 1.00 5.51 H new ATOM 0 HB THR A 87 33.980 -11.473 22.312 1.00 0.04 H new ATOM 0 HG1 THR A 87 33.396 -9.323 21.622 1.00 73.02 H new ATOM 0 HG21 THR A 87 31.595 -10.765 22.254 1.00 13.21 H new ATOM 0 HG22 THR A 87 31.908 -11.910 23.580 1.00 13.21 H new ATOM 0 HG23 THR A 87 31.738 -10.173 23.926 1.00 13.21 H new ATOM 1405 N SER A 88 35.209 -8.963 25.520 1.00 41.20 N ATOM 1406 CA SER A 88 35.122 -7.870 26.467 1.00 14.24 C ATOM 1407 C SER A 88 34.097 -6.849 25.980 1.00 53.12 C ATOM 1408 O SER A 88 34.091 -6.478 24.799 1.00 13.03 O ATOM 1409 CB SER A 88 36.495 -7.220 26.630 1.00 12.31 C ATOM 1410 OG SER A 88 37.480 -8.249 26.739 1.00 52.20 O ATOM 0 H SER A 88 36.115 -9.067 25.064 1.00 41.20 H new ATOM 0 HA SER A 88 34.800 -8.250 27.436 1.00 14.24 H new ATOM 0 HB2 SER A 88 36.713 -6.578 25.777 1.00 12.31 H new ATOM 0 HB3 SER A 88 36.510 -6.587 27.517 1.00 12.31 H new ATOM 0 HG SER A 88 38.366 -7.844 26.842 1.00 52.20 H new ATOM 1416 N LEU A 89 33.199 -6.455 26.866 1.00 11.45 N ATOM 1417 CA LEU A 89 32.124 -5.530 26.526 1.00 2.42 C ATOM 1418 C LEU A 89 32.670 -4.153 26.161 1.00 41.41 C ATOM 1419 O LEU A 89 32.108 -3.454 25.309 1.00 23.42 O ATOM 1420 CB LEU A 89 31.120 -5.424 27.683 1.00 31.31 C ATOM 1421 CG LEU A 89 30.386 -6.765 27.867 1.00 52.24 C ATOM 1422 CD1 LEU A 89 29.545 -6.722 29.138 1.00 72.30 C ATOM 1423 CD2 LEU A 89 29.476 -7.036 26.665 1.00 73.01 C ATOM 0 H LEU A 89 33.191 -6.764 27.838 1.00 11.45 H new ATOM 0 HA LEU A 89 31.608 -5.925 25.651 1.00 2.42 H new ATOM 0 HB2 LEU A 89 31.639 -5.155 28.603 1.00 31.31 H new ATOM 0 HB3 LEU A 89 30.400 -4.631 27.480 1.00 31.31 H new ATOM 0 HG LEU A 89 31.125 -7.563 27.945 1.00 52.24 H new ATOM 0 HD11 LEU A 89 29.027 -7.673 29.264 1.00 72.30 H new ATOM 0 HD12 LEU A 89 30.192 -6.544 29.997 1.00 72.30 H new ATOM 0 HD13 LEU A 89 28.813 -5.918 29.063 1.00 72.30 H new ATOM 0 HD21 LEU A 89 28.962 -7.987 26.805 1.00 73.01 H new ATOM 0 HD22 LEU A 89 28.741 -6.235 26.577 1.00 73.01 H new ATOM 0 HD23 LEU A 89 30.077 -7.079 25.756 1.00 73.01 H new ATOM 1435 N ASN A 90 33.694 -3.726 26.888 1.00 22.24 N ATOM 1436 CA ASN A 90 34.265 -2.382 26.725 1.00 13.40 C ATOM 1437 C ASN A 90 34.697 -2.110 25.292 1.00 13.42 C ATOM 1438 O ASN A 90 34.891 -0.965 24.964 1.00 53.14 O ATOM 1439 CB ASN A 90 35.450 -2.164 27.681 1.00 14.11 C ATOM 1440 CG ASN A 90 36.498 -3.260 27.521 1.00 13.14 C ATOM 1441 OD1 ASN A 90 36.571 -3.925 26.415 1.00 72.21 O flip ATOM 1442 ND2 ASN A 90 37.269 -3.522 28.450 1.00 54.13 N flip ATOM 1443 OXT ASN A 90 34.833 -3.047 24.549 1.00 13.42 O ATOM 0 H ASN A 90 34.154 -4.290 27.603 1.00 22.24 H new ATOM 0 HA ASN A 90 33.473 -1.675 26.974 1.00 13.40 H new ATOM 0 HB2 ASN A 90 35.904 -1.192 27.486 1.00 14.11 H new ATOM 0 HB3 ASN A 90 35.092 -2.148 28.710 1.00 14.11 H new ATOM 0 HD21 ASN A 90 37.212 -2.998 29.323 1.00 54.13 H new ATOM 0 HD22 ASN A 90 37.962 -4.262 28.344 1.00 54.13 H new TER 1450 ASN A 90