USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 644 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 44 THR OG1 : rot 110:sc= 0.261 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0.208 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.663 K(o=-1.3,f=-0.74) USER MOD Set 3.2: A 62 HIS : no HD1:sc= -0.633 K(o=-1.3,f=-2) USER MOD Set 4.1: A 22 GLN : amide:sc= -0.384 X(o=-0.57,f=-0.36) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= -0.187 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.111 (180deg=-1.38) USER MOD Single : A 7 SER OG : rot 180:sc= -1.42 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -61:sc= 0.176 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.79) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -37:sc= 0.191 USER MOD Single : A 34 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.26! C(o=-5.3!,f=-2.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.25) USER MOD Single : A 47 SER OG : rot -94:sc= -3.17! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 50 THR OG1 : rot -104:sc= 0.0627 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.41 K(o=-2.4,f=-3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 67 THR OG1 : rot -140:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.79 X(o=-2.8,f=-2.7) USER MOD Single : A 70 GLN : amide:sc= -0.0415 K(o=-0.041,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.946 K(o=-0.95,f=-0.093) USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= 0.151 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.901 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.753 -1.148 -0.258 1.00 30.54 N ATOM 2 CA MET A 1 0.238 -0.053 -1.071 1.00 63.22 C ATOM 3 C MET A 1 0.978 1.245 -0.766 1.00 2.32 C ATOM 4 O MET A 1 0.437 2.167 -0.154 1.00 63.05 O ATOM 5 CB MET A 1 -1.261 0.131 -0.827 1.00 62.13 C ATOM 6 CG MET A 1 -2.089 -1.094 -1.180 1.00 62.10 C ATOM 7 SD MET A 1 -3.769 -0.675 -1.684 1.00 22.44 S ATOM 8 CE MET A 1 -3.928 -1.652 -3.177 1.00 2.22 C ATOM 0 H1 MET A 1 0.934 -1.974 -0.863 1.00 30.54 H new ATOM 0 H2 MET A 1 1.639 -0.853 0.200 1.00 30.54 H new ATOM 0 H3 MET A 1 0.054 -1.398 0.470 1.00 30.54 H new ATOM 0 HA MET A 1 0.399 -0.305 -2.119 1.00 63.22 H new ATOM 0 HB2 MET A 1 -1.422 0.378 0.222 1.00 62.13 H new ATOM 0 HB3 MET A 1 -1.615 0.980 -1.413 1.00 62.13 H new ATOM 0 HG2 MET A 1 -1.598 -1.640 -1.985 1.00 62.10 H new ATOM 0 HG3 MET A 1 -2.128 -1.762 -0.319 1.00 62.10 H new ATOM 0 HE1 MET A 1 -4.918 -1.500 -3.608 1.00 2.22 H new ATOM 0 HE2 MET A 1 -3.168 -1.345 -3.895 1.00 2.22 H new ATOM 0 HE3 MET A 1 -3.795 -2.707 -2.937 1.00 2.22 H new ATOM 18 N PRO A 2 2.245 1.322 -1.200 1.00 30.10 N ATOM 19 CA PRO A 2 3.086 2.503 -0.984 1.00 53.23 C ATOM 20 C PRO A 2 2.627 3.700 -1.810 1.00 72.04 C ATOM 21 O PRO A 2 1.921 3.544 -2.806 1.00 41.55 O ATOM 22 CB PRO A 2 4.472 2.040 -1.439 1.00 30.24 C ATOM 23 CG PRO A 2 4.205 0.945 -2.413 1.00 51.34 C ATOM 24 CD PRO A 2 2.954 0.261 -1.935 1.00 50.35 C ATOM 0 HA PRO A 2 3.054 2.842 0.051 1.00 53.23 H new ATOM 0 HB2 PRO A 2 5.029 2.854 -1.902 1.00 30.24 H new ATOM 0 HB3 PRO A 2 5.067 1.685 -0.597 1.00 30.24 H new ATOM 0 HG2 PRO A 2 4.072 1.342 -3.420 1.00 51.34 H new ATOM 0 HG3 PRO A 2 5.041 0.246 -2.453 1.00 51.34 H new ATOM 0 HD2 PRO A 2 2.360 -0.117 -2.767 1.00 50.35 H new ATOM 0 HD3 PRO A 2 3.181 -0.590 -1.293 1.00 50.35 H new ATOM 32 N ALA A 3 3.033 4.894 -1.390 1.00 74.33 N ATOM 33 CA ALA A 3 2.665 6.117 -2.093 1.00 71.52 C ATOM 34 C ALA A 3 3.832 6.648 -2.918 1.00 24.02 C ATOM 35 O ALA A 3 4.974 6.223 -2.741 1.00 14.01 O ATOM 36 CB ALA A 3 2.191 7.172 -1.104 1.00 61.55 C ATOM 0 H ALA A 3 3.617 5.040 -0.566 1.00 74.33 H new ATOM 0 HA ALA A 3 1.849 5.883 -2.776 1.00 71.52 H new ATOM 0 HB1 ALA A 3 1.920 8.080 -1.643 1.00 61.55 H new ATOM 0 HB2 ALA A 3 1.322 6.798 -0.562 1.00 61.55 H new ATOM 0 HB3 ALA A 3 2.991 7.395 -0.398 1.00 61.55 H new ATOM 42 N ALA A 4 3.539 7.579 -3.819 1.00 55.04 N ATOM 43 CA ALA A 4 4.564 8.169 -4.670 1.00 44.13 C ATOM 44 C ALA A 4 4.462 9.691 -4.679 1.00 21.40 C ATOM 45 O ALA A 4 3.366 10.249 -4.743 1.00 41.12 O ATOM 46 CB ALA A 4 4.454 7.623 -6.086 1.00 63.21 C ATOM 0 H ALA A 4 2.599 7.941 -3.979 1.00 55.04 H new ATOM 0 HA ALA A 4 5.538 7.899 -4.263 1.00 44.13 H new ATOM 0 HB1 ALA A 4 5.226 8.073 -6.710 1.00 63.21 H new ATOM 0 HB2 ALA A 4 4.585 6.541 -6.070 1.00 63.21 H new ATOM 0 HB3 ALA A 4 3.472 7.864 -6.493 1.00 63.21 H new ATOM 52 N LEU A 5 5.610 10.356 -4.613 1.00 52.32 N ATOM 53 CA LEU A 5 5.649 11.815 -4.613 1.00 24.41 C ATOM 54 C LEU A 5 4.853 12.381 -5.784 1.00 14.34 C ATOM 55 O LEU A 5 4.560 11.675 -6.749 1.00 45.50 O ATOM 56 CB LEU A 5 7.097 12.305 -4.681 1.00 53.12 C ATOM 57 CG LEU A 5 8.031 11.796 -3.583 1.00 34.42 C ATOM 58 CD1 LEU A 5 9.481 11.889 -4.030 1.00 22.31 C ATOM 59 CD2 LEU A 5 7.816 12.578 -2.295 1.00 62.12 C ATOM 0 H LEU A 5 6.525 9.909 -4.559 1.00 52.32 H new ATOM 0 HA LEU A 5 5.195 12.167 -3.686 1.00 24.41 H new ATOM 0 HB2 LEU A 5 7.512 12.015 -5.646 1.00 53.12 H new ATOM 0 HB3 LEU A 5 7.092 13.395 -4.650 1.00 53.12 H new ATOM 0 HG LEU A 5 7.798 10.748 -3.391 1.00 34.42 H new ATOM 0 HD11 LEU A 5 10.131 11.522 -3.235 1.00 22.31 H new ATOM 0 HD12 LEU A 5 9.625 11.284 -4.925 1.00 22.31 H new ATOM 0 HD13 LEU A 5 9.728 12.928 -4.250 1.00 22.31 H new ATOM 0 HD21 LEU A 5 8.489 12.202 -1.524 1.00 62.12 H new ATOM 0 HD22 LEU A 5 8.021 13.634 -2.472 1.00 62.12 H new ATOM 0 HD23 LEU A 5 6.784 12.459 -1.965 1.00 62.12 H new ATOM 71 N VAL A 6 4.505 13.661 -5.692 1.00 44.22 N ATOM 72 CA VAL A 6 3.745 14.324 -6.745 1.00 45.30 C ATOM 73 C VAL A 6 4.078 15.811 -6.810 1.00 32.32 C ATOM 74 O VAL A 6 4.644 16.288 -7.793 1.00 2.42 O ATOM 75 CB VAL A 6 2.229 14.157 -6.533 1.00 1.31 C ATOM 76 CG1 VAL A 6 1.454 14.893 -7.615 1.00 40.03 C ATOM 77 CG2 VAL A 6 1.854 12.683 -6.506 1.00 5.11 C ATOM 0 H VAL A 6 4.737 14.259 -4.899 1.00 44.22 H new ATOM 0 HA VAL A 6 4.027 13.850 -7.685 1.00 45.30 H new ATOM 0 HB VAL A 6 1.964 14.593 -5.570 1.00 1.31 H new ATOM 0 HG11 VAL A 6 0.385 14.763 -7.449 1.00 40.03 H new ATOM 0 HG12 VAL A 6 1.701 15.954 -7.581 1.00 40.03 H new ATOM 0 HG13 VAL A 6 1.721 14.490 -8.592 1.00 40.03 H new ATOM 0 HG21 VAL A 6 0.779 12.584 -6.355 1.00 5.11 H new ATOM 0 HG22 VAL A 6 2.132 12.219 -7.453 1.00 5.11 H new ATOM 0 HG23 VAL A 6 2.382 12.188 -5.691 1.00 5.11 H new ATOM 87 N SER A 7 3.722 16.538 -5.755 1.00 60.44 N ATOM 88 CA SER A 7 3.979 17.972 -5.693 1.00 65.54 C ATOM 89 C SER A 7 4.244 18.414 -4.258 1.00 11.45 C ATOM 90 O SER A 7 4.072 17.640 -3.316 1.00 63.51 O ATOM 91 CB SER A 7 2.794 18.749 -6.269 1.00 4.30 C ATOM 92 OG SER A 7 2.214 18.059 -7.362 1.00 41.22 O ATOM 0 H SER A 7 3.255 16.157 -4.932 1.00 60.44 H new ATOM 0 HA SER A 7 4.867 18.184 -6.289 1.00 65.54 H new ATOM 0 HB2 SER A 7 2.044 18.903 -5.493 1.00 4.30 H new ATOM 0 HB3 SER A 7 3.125 19.736 -6.592 1.00 4.30 H new ATOM 0 HG SER A 7 1.458 18.576 -7.711 1.00 41.22 H new ATOM 98 N ILE A 8 4.662 19.665 -4.099 1.00 4.44 N ATOM 99 CA ILE A 8 4.950 20.212 -2.778 1.00 54.44 C ATOM 100 C ILE A 8 4.640 21.705 -2.722 1.00 70.53 C ATOM 101 O ILE A 8 4.865 22.432 -3.689 1.00 43.50 O ATOM 102 CB ILE A 8 6.422 19.990 -2.385 1.00 31.10 C ATOM 103 CG1 ILE A 8 7.335 20.902 -3.207 1.00 24.15 C ATOM 104 CG2 ILE A 8 6.807 18.531 -2.579 1.00 44.11 C ATOM 105 CD1 ILE A 8 8.806 20.716 -2.903 1.00 73.14 C ATOM 0 H ILE A 8 4.809 20.319 -4.868 1.00 4.44 H new ATOM 0 HA ILE A 8 4.310 19.683 -2.071 1.00 54.44 H new ATOM 0 HB ILE A 8 6.544 20.241 -1.331 1.00 31.10 H new ATOM 0 HG12 ILE A 8 7.165 20.714 -4.267 1.00 24.15 H new ATOM 0 HG13 ILE A 8 7.062 21.940 -3.020 1.00 24.15 H new ATOM 0 HG21 ILE A 8 7.850 18.389 -2.297 1.00 44.11 H new ATOM 0 HG22 ILE A 8 6.174 17.901 -1.954 1.00 44.11 H new ATOM 0 HG23 ILE A 8 6.673 18.255 -3.625 1.00 44.11 H new ATOM 0 HD11 ILE A 8 9.394 21.394 -3.522 1.00 73.14 H new ATOM 0 HD12 ILE A 8 8.990 20.933 -1.851 1.00 73.14 H new ATOM 0 HD13 ILE A 8 9.095 19.687 -3.117 1.00 73.14 H new ATOM 117 N SER A 9 4.124 22.154 -1.583 1.00 33.32 N ATOM 118 CA SER A 9 3.781 23.559 -1.401 1.00 1.44 C ATOM 119 C SER A 9 4.900 24.302 -0.676 1.00 60.33 C ATOM 120 O SER A 9 5.126 24.097 0.517 1.00 54.54 O ATOM 121 CB SER A 9 2.475 23.690 -0.615 1.00 11.12 C ATOM 122 OG SER A 9 2.104 25.049 -0.464 1.00 41.54 O ATOM 0 H SER A 9 3.934 21.565 -0.772 1.00 33.32 H new ATOM 0 HA SER A 9 3.650 24.006 -2.387 1.00 1.44 H new ATOM 0 HB2 SER A 9 1.681 23.148 -1.130 1.00 11.12 H new ATOM 0 HB3 SER A 9 2.590 23.230 0.367 1.00 11.12 H new ATOM 0 HG SER A 9 1.266 25.105 0.040 1.00 41.54 H new ATOM 128 N VAL A 10 5.599 25.165 -1.407 1.00 34.01 N ATOM 129 CA VAL A 10 6.694 25.940 -0.836 1.00 32.55 C ATOM 130 C VAL A 10 6.418 27.436 -0.933 1.00 63.35 C ATOM 131 O VAL A 10 6.004 27.934 -1.980 1.00 35.21 O ATOM 132 CB VAL A 10 8.028 25.627 -1.538 1.00 44.32 C ATOM 133 CG1 VAL A 10 8.499 24.223 -1.192 1.00 33.13 C ATOM 134 CG2 VAL A 10 7.890 25.796 -3.044 1.00 35.33 C ATOM 0 H VAL A 10 5.426 25.345 -2.396 1.00 34.01 H new ATOM 0 HA VAL A 10 6.770 25.656 0.214 1.00 32.55 H new ATOM 0 HB VAL A 10 8.779 26.333 -1.183 1.00 44.32 H new ATOM 0 HG11 VAL A 10 9.443 24.021 -1.698 1.00 33.13 H new ATOM 0 HG12 VAL A 10 8.640 24.142 -0.114 1.00 33.13 H new ATOM 0 HG13 VAL A 10 7.752 23.498 -1.516 1.00 33.13 H new ATOM 0 HG21 VAL A 10 8.842 25.571 -3.524 1.00 35.33 H new ATOM 0 HG22 VAL A 10 7.125 25.115 -3.418 1.00 35.33 H new ATOM 0 HG23 VAL A 10 7.604 26.823 -3.270 1.00 35.33 H new ATOM 144 N SER A 11 6.652 28.148 0.164 1.00 3.11 N ATOM 145 CA SER A 11 6.426 29.588 0.203 1.00 2.14 C ATOM 146 C SER A 11 7.727 30.335 0.482 1.00 62.21 C ATOM 147 O SER A 11 7.906 30.952 1.532 1.00 50.20 O ATOM 148 CB SER A 11 5.388 29.934 1.272 1.00 33.34 C ATOM 149 OG SER A 11 5.169 31.332 1.338 1.00 50.34 O ATOM 0 H SER A 11 6.998 27.751 1.038 1.00 3.11 H new ATOM 0 HA SER A 11 6.051 29.898 -0.772 1.00 2.14 H new ATOM 0 HB2 SER A 11 4.450 29.426 1.050 1.00 33.34 H new ATOM 0 HB3 SER A 11 5.726 29.570 2.242 1.00 33.34 H new ATOM 0 HG SER A 11 6.005 31.783 1.578 1.00 50.34 H new ATOM 155 N PRO A 12 8.659 30.278 -0.481 1.00 71.13 N ATOM 156 CA PRO A 12 9.960 30.943 -0.364 1.00 50.04 C ATOM 157 C PRO A 12 9.843 32.462 -0.432 1.00 33.13 C ATOM 158 O PRO A 12 9.028 33.000 -1.182 1.00 71.01 O ATOM 159 CB PRO A 12 10.739 30.413 -1.571 1.00 30.12 C ATOM 160 CG PRO A 12 9.692 30.037 -2.562 1.00 24.30 C ATOM 161 CD PRO A 12 8.514 29.560 -1.759 1.00 13.30 C ATOM 0 HA PRO A 12 10.438 30.737 0.594 1.00 50.04 H new ATOM 0 HB2 PRO A 12 11.410 31.172 -1.973 1.00 30.12 H new ATOM 0 HB3 PRO A 12 11.354 29.555 -1.300 1.00 30.12 H new ATOM 0 HG2 PRO A 12 9.420 30.889 -3.185 1.00 24.30 H new ATOM 0 HG3 PRO A 12 10.051 29.255 -3.231 1.00 24.30 H new ATOM 0 HD2 PRO A 12 7.570 29.799 -2.249 1.00 13.30 H new ATOM 0 HD3 PRO A 12 8.535 28.479 -1.618 1.00 13.30 H new ATOM 169 N THR A 13 10.662 33.150 0.357 1.00 24.23 N ATOM 170 CA THR A 13 10.650 34.607 0.388 1.00 60.23 C ATOM 171 C THR A 13 11.975 35.178 -0.103 1.00 41.34 C ATOM 172 O THR A 13 13.011 35.009 0.538 1.00 32.43 O ATOM 173 CB THR A 13 10.370 35.137 1.807 1.00 71.33 C ATOM 174 OG1 THR A 13 9.092 34.674 2.259 1.00 43.41 O ATOM 175 CG2 THR A 13 10.403 36.657 1.833 1.00 50.43 C ATOM 0 H THR A 13 11.343 32.721 0.984 1.00 24.23 H new ATOM 0 HA THR A 13 9.849 34.930 -0.277 1.00 60.23 H new ATOM 0 HB THR A 13 11.148 34.762 2.472 1.00 71.33 H new ATOM 0 HG1 THR A 13 8.922 35.014 3.162 1.00 43.41 H new ATOM 0 HG21 THR A 13 10.203 37.008 2.845 1.00 50.43 H new ATOM 0 HG22 THR A 13 11.386 37.005 1.516 1.00 50.43 H new ATOM 0 HG23 THR A 13 9.644 37.049 1.156 1.00 50.43 H new ATOM 183 N ASN A 14 11.935 35.857 -1.246 1.00 34.15 N ATOM 184 CA ASN A 14 13.133 36.454 -1.823 1.00 4.03 C ATOM 185 C ASN A 14 13.237 37.931 -1.454 1.00 21.21 C ATOM 186 O ASN A 14 13.038 38.807 -2.296 1.00 22.25 O ATOM 187 CB ASN A 14 13.125 36.296 -3.345 1.00 11.34 C ATOM 188 CG ASN A 14 11.826 36.769 -3.968 1.00 12.44 C ATOM 189 OD1 ASN A 14 11.725 37.905 -4.433 1.00 31.23 O ATOM 190 ND2 ASN A 14 10.824 35.898 -3.979 1.00 54.31 N ATOM 0 H ASN A 14 11.085 36.007 -1.790 1.00 34.15 H new ATOM 0 HA ASN A 14 14.000 35.934 -1.415 1.00 4.03 H new ATOM 0 HB2 ASN A 14 13.955 36.860 -3.771 1.00 11.34 H new ATOM 0 HB3 ASN A 14 13.287 35.249 -3.600 1.00 11.34 H new ATOM 0 HD21 ASN A 14 9.925 36.160 -4.384 1.00 54.31 H new ATOM 0 HD22 ASN A 14 10.953 34.967 -3.582 1.00 54.31 H new ATOM 197 N SER A 15 13.551 38.199 -0.190 1.00 74.04 N ATOM 198 CA SER A 15 13.678 39.569 0.291 1.00 12.53 C ATOM 199 C SER A 15 14.975 39.752 1.073 1.00 0.13 C ATOM 200 O SER A 15 15.841 38.877 1.076 1.00 24.23 O ATOM 201 CB SER A 15 12.482 39.936 1.172 1.00 30.03 C ATOM 202 OG SER A 15 11.259 39.659 0.513 1.00 73.03 O ATOM 0 H SER A 15 13.722 37.485 0.519 1.00 74.04 H new ATOM 0 HA SER A 15 13.699 40.231 -0.575 1.00 12.53 H new ATOM 0 HB2 SER A 15 12.530 39.377 2.107 1.00 30.03 H new ATOM 0 HB3 SER A 15 12.528 40.994 1.431 1.00 30.03 H new ATOM 0 HG SER A 15 10.510 39.901 1.097 1.00 73.03 H new ATOM 208 N THR A 16 15.102 40.897 1.737 1.00 45.11 N ATOM 209 CA THR A 16 16.293 41.197 2.522 1.00 1.00 C ATOM 210 C THR A 16 15.934 41.494 3.973 1.00 2.54 C ATOM 211 O THR A 16 14.837 41.968 4.268 1.00 54.15 O ATOM 212 CB THR A 16 17.063 42.397 1.939 1.00 12.21 C ATOM 213 OG1 THR A 16 18.060 42.837 2.868 1.00 40.53 O ATOM 214 CG2 THR A 16 16.116 43.545 1.622 1.00 20.10 C ATOM 0 H THR A 16 14.394 41.632 1.747 1.00 45.11 H new ATOM 0 HA THR A 16 16.929 40.313 2.482 1.00 1.00 H new ATOM 0 HB THR A 16 17.544 42.078 1.014 1.00 12.21 H new ATOM 0 HG1 THR A 16 18.812 42.209 2.862 1.00 40.53 H new ATOM 0 HG21 THR A 16 16.682 44.381 1.212 1.00 20.10 H new ATOM 0 HG22 THR A 16 15.376 43.215 0.893 1.00 20.10 H new ATOM 0 HG23 THR A 16 15.611 43.862 2.534 1.00 20.10 H new ATOM 222 N VAL A 17 16.867 41.214 4.878 1.00 12.32 N ATOM 223 CA VAL A 17 16.649 41.454 6.300 1.00 61.31 C ATOM 224 C VAL A 17 17.867 42.112 6.939 1.00 13.00 C ATOM 225 O VAL A 17 18.986 41.982 6.445 1.00 22.00 O ATOM 226 CB VAL A 17 16.335 40.144 7.048 1.00 42.50 C ATOM 227 CG1 VAL A 17 17.572 39.262 7.123 1.00 1.41 C ATOM 228 CG2 VAL A 17 15.797 40.442 8.439 1.00 3.24 C ATOM 0 H VAL A 17 17.781 40.821 4.652 1.00 12.32 H new ATOM 0 HA VAL A 17 15.793 42.124 6.381 1.00 61.31 H new ATOM 0 HB VAL A 17 15.567 39.604 6.494 1.00 42.50 H new ATOM 0 HG11 VAL A 17 17.331 38.342 7.655 1.00 1.41 H new ATOM 0 HG12 VAL A 17 17.909 39.021 6.115 1.00 1.41 H new ATOM 0 HG13 VAL A 17 18.364 39.791 7.653 1.00 1.41 H new ATOM 0 HG21 VAL A 17 15.580 39.506 8.954 1.00 3.24 H new ATOM 0 HG22 VAL A 17 16.541 41.003 9.004 1.00 3.24 H new ATOM 0 HG23 VAL A 17 14.883 41.031 8.357 1.00 3.24 H new ATOM 238 N ALA A 18 17.640 42.819 8.041 1.00 12.03 N ATOM 239 CA ALA A 18 18.719 43.496 8.750 1.00 34.12 C ATOM 240 C ALA A 18 19.651 42.492 9.419 1.00 31.42 C ATOM 241 O ALA A 18 19.321 41.312 9.547 1.00 3.33 O ATOM 242 CB ALA A 18 18.150 44.459 9.781 1.00 13.15 C ATOM 0 H ALA A 18 16.719 42.938 8.462 1.00 12.03 H new ATOM 0 HA ALA A 18 19.300 44.062 8.022 1.00 34.12 H new ATOM 0 HB1 ALA A 18 18.967 44.958 10.303 1.00 13.15 H new ATOM 0 HB2 ALA A 18 17.531 45.204 9.281 1.00 13.15 H new ATOM 0 HB3 ALA A 18 17.544 43.907 10.499 1.00 13.15 H new ATOM 248 N LYS A 19 20.817 42.966 9.844 1.00 61.10 N ATOM 249 CA LYS A 19 21.798 42.110 10.501 1.00 42.23 C ATOM 250 C LYS A 19 21.159 41.328 11.643 1.00 22.45 C ATOM 251 O LYS A 19 20.327 41.854 12.380 1.00 13.43 O ATOM 252 CB LYS A 19 22.963 42.949 11.032 1.00 52.13 C ATOM 253 CG LYS A 19 24.327 42.340 10.755 1.00 54.41 C ATOM 254 CD LYS A 19 24.605 41.157 11.667 1.00 53.22 C ATOM 255 CE LYS A 19 26.072 41.091 12.063 1.00 53.33 C ATOM 256 NZ LYS A 19 26.401 42.068 13.137 1.00 14.15 N ATOM 0 H LYS A 19 21.106 43.939 9.745 1.00 61.10 H new ATOM 0 HA LYS A 19 22.175 41.400 9.765 1.00 42.23 H new ATOM 0 HB2 LYS A 19 22.919 43.941 10.583 1.00 52.13 H new ATOM 0 HB3 LYS A 19 22.845 43.080 12.108 1.00 52.13 H new ATOM 0 HG2 LYS A 19 24.378 42.019 9.715 1.00 54.41 H new ATOM 0 HG3 LYS A 19 25.099 43.097 10.893 1.00 54.41 H new ATOM 0 HD2 LYS A 19 23.988 41.234 12.563 1.00 53.22 H new ATOM 0 HD3 LYS A 19 24.321 40.233 11.163 1.00 53.22 H new ATOM 0 HE2 LYS A 19 26.311 40.083 12.403 1.00 53.33 H new ATOM 0 HE3 LYS A 19 26.693 41.289 11.189 1.00 53.33 H new ATOM 0 HZ1 LYS A 19 27.410 41.992 13.379 1.00 14.15 H new ATOM 0 HZ2 LYS A 19 26.197 43.032 12.804 1.00 14.15 H new ATOM 0 HZ3 LYS A 19 25.827 41.864 13.980 1.00 14.15 H new ATOM 270 N GLY A 20 21.556 40.066 11.786 1.00 51.42 N ATOM 271 CA GLY A 20 21.012 39.233 12.842 1.00 64.51 C ATOM 272 C GLY A 20 19.506 39.094 12.754 1.00 74.34 C ATOM 273 O GLY A 20 18.766 39.872 13.358 1.00 23.42 O ATOM 0 H GLY A 20 22.244 39.607 11.189 1.00 51.42 H new ATOM 0 HA2 GLY A 20 21.468 38.244 12.792 1.00 64.51 H new ATOM 0 HA3 GLY A 20 21.278 39.658 13.810 1.00 64.51 H new ATOM 277 N LEU A 21 19.048 38.102 11.997 1.00 11.04 N ATOM 278 CA LEU A 21 17.618 37.864 11.830 1.00 3.43 C ATOM 279 C LEU A 21 17.366 36.541 11.115 1.00 42.23 C ATOM 280 O LEU A 21 18.151 36.127 10.262 1.00 23.24 O ATOM 281 CB LEU A 21 16.979 39.011 11.046 1.00 51.42 C ATOM 282 CG LEU A 21 15.676 39.571 11.617 1.00 33.03 C ATOM 283 CD1 LEU A 21 14.592 38.504 11.618 1.00 53.31 C ATOM 284 CD2 LEU A 21 15.898 40.109 13.023 1.00 15.32 C ATOM 0 H LEU A 21 19.646 37.450 11.489 1.00 11.04 H new ATOM 0 HA LEU A 21 17.165 37.812 12.820 1.00 3.43 H new ATOM 0 HB2 LEU A 21 17.701 39.824 10.978 1.00 51.42 H new ATOM 0 HB3 LEU A 21 16.789 38.668 10.029 1.00 51.42 H new ATOM 0 HG LEU A 21 15.347 40.394 10.982 1.00 33.03 H new ATOM 0 HD11 LEU A 21 13.672 38.921 12.028 1.00 53.31 H new ATOM 0 HD12 LEU A 21 14.414 38.165 10.597 1.00 53.31 H new ATOM 0 HD13 LEU A 21 14.912 37.661 12.230 1.00 53.31 H new ATOM 0 HD21 LEU A 21 14.960 40.504 13.414 1.00 15.32 H new ATOM 0 HD22 LEU A 21 16.251 39.305 13.669 1.00 15.32 H new ATOM 0 HD23 LEU A 21 16.643 40.905 12.995 1.00 15.32 H new ATOM 296 N GLN A 22 16.265 35.885 11.466 1.00 23.41 N ATOM 297 CA GLN A 22 15.910 34.609 10.856 1.00 55.12 C ATOM 298 C GLN A 22 14.446 34.600 10.427 1.00 12.04 C ATOM 299 O GLN A 22 13.645 35.403 10.906 1.00 60.54 O ATOM 300 CB GLN A 22 16.175 33.461 11.831 1.00 12.25 C ATOM 301 CG GLN A 22 15.425 33.595 13.147 1.00 10.40 C ATOM 302 CD GLN A 22 15.597 32.385 14.043 1.00 61.30 C ATOM 303 OE1 GLN A 22 14.629 31.868 14.601 1.00 55.12 O ATOM 304 NE2 GLN A 22 16.835 31.925 14.186 1.00 74.22 N ATOM 0 H GLN A 22 15.604 36.215 12.169 1.00 23.41 H new ATOM 0 HA GLN A 22 16.531 34.474 9.970 1.00 55.12 H new ATOM 0 HB2 GLN A 22 15.895 32.520 11.357 1.00 12.25 H new ATOM 0 HB3 GLN A 22 17.244 33.409 12.035 1.00 12.25 H new ATOM 0 HG2 GLN A 22 15.776 34.484 13.672 1.00 10.40 H new ATOM 0 HG3 GLN A 22 14.365 33.743 12.943 1.00 10.40 H new ATOM 0 HE21 GLN A 22 17.608 32.384 13.705 1.00 74.22 H new ATOM 0 HE22 GLN A 22 17.012 31.113 14.777 1.00 74.22 H new ATOM 313 N GLU A 23 14.105 33.687 9.523 1.00 15.31 N ATOM 314 CA GLU A 23 12.737 33.576 9.030 1.00 72.30 C ATOM 315 C GLU A 23 12.317 32.113 8.915 1.00 24.14 C ATOM 316 O GLU A 23 13.059 31.283 8.391 1.00 53.24 O ATOM 317 CB GLU A 23 12.604 34.264 7.670 1.00 72.22 C ATOM 318 CG GLU A 23 11.179 34.667 7.328 1.00 1.15 C ATOM 319 CD GLU A 23 10.583 35.621 8.346 1.00 62.24 C ATOM 320 OE1 GLU A 23 11.062 36.770 8.434 1.00 45.41 O ATOM 321 OE2 GLU A 23 9.637 35.217 9.053 1.00 34.23 O ATOM 0 H GLU A 23 14.756 33.014 9.118 1.00 15.31 H new ATOM 0 HA GLU A 23 12.079 34.070 9.745 1.00 72.30 H new ATOM 0 HB2 GLU A 23 13.236 35.152 7.658 1.00 72.22 H new ATOM 0 HB3 GLU A 23 12.979 33.595 6.896 1.00 72.22 H new ATOM 0 HG2 GLU A 23 11.164 35.136 6.344 1.00 1.15 H new ATOM 0 HG3 GLU A 23 10.558 33.774 7.265 1.00 1.15 H new ATOM 328 N ASN A 24 11.123 31.805 9.411 1.00 3.23 N ATOM 329 CA ASN A 24 10.605 30.443 9.366 1.00 32.10 C ATOM 330 C ASN A 24 9.999 30.136 8.000 1.00 40.53 C ATOM 331 O ASN A 24 9.309 30.971 7.413 1.00 31.44 O ATOM 332 CB ASN A 24 9.555 30.238 10.460 1.00 55.14 C ATOM 333 CG ASN A 24 8.145 30.494 9.962 1.00 32.24 C ATOM 334 OD1 ASN A 24 7.624 31.603 10.083 1.00 71.25 O ATOM 335 ND2 ASN A 24 7.520 29.465 9.400 1.00 2.55 N ATOM 0 H ASN A 24 10.496 32.480 9.849 1.00 3.23 H new ATOM 0 HA ASN A 24 11.436 29.759 9.537 1.00 32.10 H new ATOM 0 HB2 ASN A 24 9.624 29.219 10.840 1.00 55.14 H new ATOM 0 HB3 ASN A 24 9.769 30.905 11.295 1.00 55.14 H new ATOM 0 HD21 ASN A 24 6.569 29.576 9.048 1.00 2.55 H new ATOM 0 HD22 ASN A 24 7.991 28.564 9.321 1.00 2.55 H new ATOM 342 N PHE A 25 10.262 28.934 7.498 1.00 13.13 N ATOM 343 CA PHE A 25 9.743 28.517 6.201 1.00 70.02 C ATOM 344 C PHE A 25 8.793 27.332 6.350 1.00 11.33 C ATOM 345 O PHE A 25 8.963 26.492 7.234 1.00 3.31 O ATOM 346 CB PHE A 25 10.894 28.147 5.263 1.00 52.13 C ATOM 347 CG PHE A 25 10.442 27.487 3.991 1.00 23.25 C ATOM 348 CD1 PHE A 25 9.837 28.226 2.988 1.00 0.42 C ATOM 349 CD2 PHE A 25 10.624 26.127 3.799 1.00 34.45 C ATOM 350 CE1 PHE A 25 9.420 27.621 1.818 1.00 70.11 C ATOM 351 CE2 PHE A 25 10.209 25.516 2.631 1.00 70.30 C ATOM 352 CZ PHE A 25 9.607 26.264 1.638 1.00 3.35 C ATOM 0 H PHE A 25 10.832 28.232 7.970 1.00 13.13 H new ATOM 0 HA PHE A 25 9.189 29.353 5.774 1.00 70.02 H new ATOM 0 HB2 PHE A 25 11.455 29.048 5.016 1.00 52.13 H new ATOM 0 HB3 PHE A 25 11.578 27.479 5.786 1.00 52.13 H new ATOM 0 HD1 PHE A 25 9.689 29.287 3.122 1.00 0.42 H new ATOM 0 HD2 PHE A 25 11.096 25.537 4.571 1.00 34.45 H new ATOM 0 HE1 PHE A 25 8.948 28.209 1.044 1.00 70.11 H new ATOM 0 HE2 PHE A 25 10.355 24.455 2.495 1.00 70.30 H new ATOM 0 HZ PHE A 25 9.283 25.789 0.723 1.00 3.35 H new ATOM 362 N LYS A 26 7.791 27.272 5.480 1.00 72.11 N ATOM 363 CA LYS A 26 6.813 26.191 5.512 1.00 14.14 C ATOM 364 C LYS A 26 6.906 25.335 4.254 1.00 61.52 C ATOM 365 O LYS A 26 7.033 25.855 3.146 1.00 64.32 O ATOM 366 CB LYS A 26 5.399 26.760 5.651 1.00 35.54 C ATOM 367 CG LYS A 26 4.310 25.701 5.607 1.00 63.24 C ATOM 368 CD LYS A 26 4.425 24.734 6.773 1.00 61.52 C ATOM 369 CE LYS A 26 4.358 23.287 6.306 1.00 10.42 C ATOM 370 NZ LYS A 26 2.984 22.727 6.432 1.00 0.12 N ATOM 0 H LYS A 26 7.635 27.960 4.743 1.00 72.11 H new ATOM 0 HA LYS A 26 7.032 25.562 6.375 1.00 14.14 H new ATOM 0 HB2 LYS A 26 5.327 27.305 6.592 1.00 35.54 H new ATOM 0 HB3 LYS A 26 5.226 27.480 4.852 1.00 35.54 H new ATOM 0 HG2 LYS A 26 3.332 26.182 5.627 1.00 63.24 H new ATOM 0 HG3 LYS A 26 4.375 25.150 4.669 1.00 63.24 H new ATOM 0 HD2 LYS A 26 5.365 24.905 7.298 1.00 61.52 H new ATOM 0 HD3 LYS A 26 3.623 24.925 7.486 1.00 61.52 H new ATOM 0 HE2 LYS A 26 4.681 23.225 5.267 1.00 10.42 H new ATOM 0 HE3 LYS A 26 5.051 22.684 6.892 1.00 10.42 H new ATOM 0 HZ1 LYS A 26 2.980 21.740 6.104 1.00 0.12 H new ATOM 0 HZ2 LYS A 26 2.685 22.762 7.427 1.00 0.12 H new ATOM 0 HZ3 LYS A 26 2.326 23.287 5.853 1.00 0.12 H new ATOM 384 N ALA A 27 6.841 24.019 4.432 1.00 12.25 N ATOM 385 CA ALA A 27 6.915 23.091 3.311 1.00 55.32 C ATOM 386 C ALA A 27 5.910 21.955 3.471 1.00 52.40 C ATOM 387 O ALA A 27 5.899 21.261 4.488 1.00 74.42 O ATOM 388 CB ALA A 27 8.325 22.536 3.177 1.00 52.21 C ATOM 0 H ALA A 27 6.737 23.572 5.343 1.00 12.25 H new ATOM 0 HA ALA A 27 6.664 23.638 2.402 1.00 55.32 H new ATOM 0 HB1 ALA A 27 8.365 21.844 2.336 1.00 52.21 H new ATOM 0 HB2 ALA A 27 9.024 23.355 3.007 1.00 52.21 H new ATOM 0 HB3 ALA A 27 8.598 22.010 4.092 1.00 52.21 H new ATOM 394 N THR A 28 5.065 21.771 2.461 1.00 45.33 N ATOM 395 CA THR A 28 4.056 20.721 2.490 1.00 34.14 C ATOM 396 C THR A 28 4.277 19.713 1.368 1.00 10.40 C ATOM 397 O THR A 28 4.358 20.082 0.197 1.00 74.20 O ATOM 398 CB THR A 28 2.635 21.304 2.369 1.00 70.22 C ATOM 399 OG1 THR A 28 2.574 22.584 3.008 1.00 64.13 O ATOM 400 CG2 THR A 28 1.611 20.370 2.996 1.00 62.53 C ATOM 0 H THR A 28 5.060 22.337 1.612 1.00 45.33 H new ATOM 0 HA THR A 28 4.153 20.216 3.451 1.00 34.14 H new ATOM 0 HB THR A 28 2.402 21.415 1.310 1.00 70.22 H new ATOM 0 HG1 THR A 28 1.668 22.948 2.925 1.00 64.13 H new ATOM 0 HG21 THR A 28 0.616 20.803 2.898 1.00 62.53 H new ATOM 0 HG22 THR A 28 1.639 19.406 2.488 1.00 62.53 H new ATOM 0 HG23 THR A 28 1.844 20.231 4.052 1.00 62.53 H new ATOM 408 N GLY A 29 4.374 18.439 1.734 1.00 60.34 N ATOM 409 CA GLY A 29 4.585 17.397 0.745 1.00 53.40 C ATOM 410 C GLY A 29 3.287 16.763 0.285 1.00 11.42 C ATOM 411 O GLY A 29 2.368 16.567 1.081 1.00 2.04 O ATOM 0 H GLY A 29 4.310 18.109 2.697 1.00 60.34 H new ATOM 0 HA2 GLY A 29 5.106 17.817 -0.116 1.00 53.40 H new ATOM 0 HA3 GLY A 29 5.233 16.628 1.165 1.00 53.40 H new ATOM 415 N ILE A 30 3.210 16.444 -1.002 1.00 72.12 N ATOM 416 CA ILE A 30 2.015 15.829 -1.566 1.00 55.21 C ATOM 417 C ILE A 30 2.319 14.441 -2.118 1.00 73.24 C ATOM 418 O ILE A 30 3.398 14.199 -2.659 1.00 22.55 O ATOM 419 CB ILE A 30 1.412 16.695 -2.688 1.00 41.13 C ATOM 420 CG1 ILE A 30 1.359 18.162 -2.257 1.00 55.22 C ATOM 421 CG2 ILE A 30 0.023 16.194 -3.056 1.00 3.40 C ATOM 422 CD1 ILE A 30 0.525 18.398 -1.017 1.00 72.32 C ATOM 0 H ILE A 30 3.961 16.601 -1.674 1.00 72.12 H new ATOM 0 HA ILE A 30 1.291 15.744 -0.755 1.00 55.21 H new ATOM 0 HB ILE A 30 2.049 16.618 -3.569 1.00 41.13 H new ATOM 0 HG12 ILE A 30 2.374 18.516 -2.075 1.00 55.22 H new ATOM 0 HG13 ILE A 30 0.955 18.758 -3.075 1.00 55.22 H new ATOM 0 HG21 ILE A 30 -0.390 16.816 -3.850 1.00 3.40 H new ATOM 0 HG22 ILE A 30 0.088 15.162 -3.400 1.00 3.40 H new ATOM 0 HG23 ILE A 30 -0.626 16.245 -2.181 1.00 3.40 H new ATOM 0 HD11 ILE A 30 0.533 19.460 -0.770 1.00 72.32 H new ATOM 0 HD12 ILE A 30 -0.500 18.075 -1.201 1.00 72.32 H new ATOM 0 HD13 ILE A 30 0.941 17.829 -0.185 1.00 72.32 H new ATOM 434 N PHE A 31 1.359 13.532 -1.981 1.00 30.02 N ATOM 435 CA PHE A 31 1.523 12.167 -2.467 1.00 23.02 C ATOM 436 C PHE A 31 0.432 11.813 -3.473 1.00 63.11 C ATOM 437 O PHE A 31 -0.638 12.422 -3.487 1.00 31.33 O ATOM 438 CB PHE A 31 1.494 11.180 -1.298 1.00 25.11 C ATOM 439 CG PHE A 31 2.686 11.290 -0.391 1.00 4.34 C ATOM 440 CD1 PHE A 31 2.859 12.404 0.415 1.00 24.25 C ATOM 441 CD2 PHE A 31 3.634 10.281 -0.344 1.00 62.44 C ATOM 442 CE1 PHE A 31 3.955 12.508 1.252 1.00 51.42 C ATOM 443 CE2 PHE A 31 4.731 10.379 0.490 1.00 4.42 C ATOM 444 CZ PHE A 31 4.893 11.495 1.288 1.00 14.23 C ATOM 0 H PHE A 31 0.459 13.716 -1.537 1.00 30.02 H new ATOM 0 HA PHE A 31 2.489 12.100 -2.967 1.00 23.02 H new ATOM 0 HB2 PHE A 31 0.588 11.346 -0.715 1.00 25.11 H new ATOM 0 HB3 PHE A 31 1.439 10.165 -1.691 1.00 25.11 H new ATOM 0 HD1 PHE A 31 2.130 13.200 0.389 1.00 24.25 H new ATOM 0 HD2 PHE A 31 3.514 9.407 -0.967 1.00 62.44 H new ATOM 0 HE1 PHE A 31 4.077 13.380 1.877 1.00 51.42 H new ATOM 0 HE2 PHE A 31 5.461 9.584 0.518 1.00 4.42 H new ATOM 0 HZ PHE A 31 5.751 11.575 1.939 1.00 14.23 H new ATOM 454 N THR A 32 0.712 10.824 -4.316 1.00 74.42 N ATOM 455 CA THR A 32 -0.243 10.389 -5.327 1.00 75.45 C ATOM 456 C THR A 32 -1.458 9.726 -4.688 1.00 11.04 C ATOM 457 O THR A 32 -2.476 9.507 -5.345 1.00 1.31 O ATOM 458 CB THR A 32 0.400 9.404 -6.321 1.00 63.45 C ATOM 459 OG1 THR A 32 -0.489 9.163 -7.418 1.00 21.33 O ATOM 460 CG2 THR A 32 0.738 8.088 -5.637 1.00 61.42 C ATOM 0 H THR A 32 1.593 10.309 -4.318 1.00 74.42 H new ATOM 0 HA THR A 32 -0.561 11.282 -5.865 1.00 75.45 H new ATOM 0 HB THR A 32 1.323 9.849 -6.693 1.00 63.45 H new ATOM 0 HG1 THR A 32 -1.412 9.132 -7.090 1.00 21.33 H new ATOM 0 HG21 THR A 32 1.191 7.409 -6.359 1.00 61.42 H new ATOM 0 HG22 THR A 32 1.438 8.271 -4.822 1.00 61.42 H new ATOM 0 HG23 THR A 32 -0.173 7.640 -5.239 1.00 61.42 H new ATOM 468 N ASP A 33 -1.345 9.409 -3.402 1.00 41.45 N ATOM 469 CA ASP A 33 -2.435 8.773 -2.673 1.00 35.11 C ATOM 470 C ASP A 33 -3.360 9.818 -2.057 1.00 12.30 C ATOM 471 O ASP A 33 -4.166 9.509 -1.181 1.00 33.31 O ATOM 472 CB ASP A 33 -1.881 7.858 -1.580 1.00 63.54 C ATOM 473 CG ASP A 33 -2.686 6.582 -1.430 1.00 62.31 C ATOM 474 OD1 ASP A 33 -3.931 6.657 -1.484 1.00 20.44 O ATOM 475 OD2 ASP A 33 -2.071 5.508 -1.258 1.00 44.30 O ATOM 0 H ASP A 33 -0.509 9.582 -2.844 1.00 41.45 H new ATOM 0 HA ASP A 33 -3.011 8.175 -3.380 1.00 35.11 H new ATOM 0 HB2 ASP A 33 -0.846 7.606 -1.811 1.00 63.54 H new ATOM 0 HB3 ASP A 33 -1.874 8.394 -0.631 1.00 63.54 H new ATOM 480 N ASN A 34 -3.236 11.058 -2.521 1.00 72.51 N ATOM 481 CA ASN A 34 -4.060 12.149 -2.014 1.00 42.35 C ATOM 482 C ASN A 34 -3.777 12.404 -0.537 1.00 44.11 C ATOM 483 O ASN A 34 -4.552 13.071 0.148 1.00 44.30 O ATOM 484 CB ASN A 34 -5.543 11.832 -2.213 1.00 72.45 C ATOM 485 CG ASN A 34 -5.802 11.057 -3.491 1.00 72.22 C ATOM 486 OD1 ASN A 34 -6.189 9.889 -3.454 1.00 74.23 O ATOM 487 ND2 ASN A 34 -5.589 11.706 -4.630 1.00 24.31 N ATOM 0 H ASN A 34 -2.573 11.332 -3.247 1.00 72.51 H new ATOM 0 HA ASN A 34 -3.810 13.050 -2.574 1.00 42.35 H new ATOM 0 HB2 ASN A 34 -5.906 11.256 -1.362 1.00 72.45 H new ATOM 0 HB3 ASN A 34 -6.111 12.762 -2.234 1.00 72.45 H new ATOM 0 HD21 ASN A 34 -5.746 11.236 -5.522 1.00 24.31 H new ATOM 0 HD22 ASN A 34 -5.268 12.674 -4.613 1.00 24.31 H new ATOM 494 N SER A 35 -2.660 11.868 -0.053 1.00 55.52 N ATOM 495 CA SER A 35 -2.276 12.035 1.343 1.00 22.15 C ATOM 496 C SER A 35 -1.062 12.951 1.467 1.00 22.53 C ATOM 497 O SER A 35 0.063 12.552 1.167 1.00 53.30 O ATOM 498 CB SER A 35 -1.970 10.676 1.976 1.00 72.33 C ATOM 499 OG SER A 35 -3.142 10.089 2.515 1.00 0.24 O ATOM 0 H SER A 35 -2.006 11.315 -0.607 1.00 55.52 H new ATOM 0 HA SER A 35 -3.112 12.494 1.871 1.00 22.15 H new ATOM 0 HB2 SER A 35 -1.538 10.012 1.228 1.00 72.33 H new ATOM 0 HB3 SER A 35 -1.225 10.797 2.763 1.00 72.33 H new ATOM 0 HG SER A 35 -2.920 9.221 2.912 1.00 0.24 H new ATOM 505 N ASN A 36 -1.299 14.180 1.912 1.00 50.41 N ATOM 506 CA ASN A 36 -0.226 15.154 2.075 1.00 2.34 C ATOM 507 C ASN A 36 0.335 15.113 3.494 1.00 63.45 C ATOM 508 O ASN A 36 -0.405 14.932 4.460 1.00 13.11 O ATOM 509 CB ASN A 36 -0.734 16.562 1.757 1.00 4.00 C ATOM 510 CG ASN A 36 -1.782 16.564 0.662 1.00 53.44 C ATOM 511 OD1 ASN A 36 -2.836 17.186 0.797 1.00 10.41 O ATOM 512 ND2 ASN A 36 -1.497 15.866 -0.431 1.00 55.25 N ATOM 0 H ASN A 36 -2.224 14.525 2.166 1.00 50.41 H new ATOM 0 HA ASN A 36 0.573 14.897 1.379 1.00 2.34 H new ATOM 0 HB2 ASN A 36 -1.154 17.006 2.659 1.00 4.00 H new ATOM 0 HB3 ASN A 36 0.105 17.188 1.454 1.00 4.00 H new ATOM 0 HD21 ASN A 36 -2.164 15.830 -1.202 1.00 55.25 H new ATOM 0 HD22 ASN A 36 -0.611 15.365 -0.500 1.00 55.25 H new ATOM 519 N SER A 37 1.649 15.281 3.610 1.00 54.33 N ATOM 520 CA SER A 37 2.310 15.260 4.909 1.00 21.21 C ATOM 521 C SER A 37 3.306 16.409 5.031 1.00 52.32 C ATOM 522 O SER A 37 3.868 16.866 4.035 1.00 23.14 O ATOM 523 CB SER A 37 3.027 13.925 5.118 1.00 61.40 C ATOM 524 OG SER A 37 2.099 12.860 5.237 1.00 40.45 O ATOM 0 H SER A 37 2.276 15.433 2.820 1.00 54.33 H new ATOM 0 HA SER A 37 1.548 15.380 5.679 1.00 21.21 H new ATOM 0 HB2 SER A 37 3.698 13.734 4.281 1.00 61.40 H new ATOM 0 HB3 SER A 37 3.643 13.976 6.016 1.00 61.40 H new ATOM 0 HG SER A 37 2.583 12.018 5.368 1.00 40.45 H new ATOM 530 N ASP A 38 3.518 16.872 6.258 1.00 42.13 N ATOM 531 CA ASP A 38 4.447 17.968 6.512 1.00 74.34 C ATOM 532 C ASP A 38 5.857 17.440 6.752 1.00 65.30 C ATOM 533 O ASP A 38 6.059 16.516 7.541 1.00 11.11 O ATOM 534 CB ASP A 38 3.983 18.788 7.717 1.00 65.04 C ATOM 535 CG ASP A 38 4.011 17.990 9.005 1.00 5.24 C ATOM 536 OD1 ASP A 38 3.902 16.748 8.936 1.00 3.33 O ATOM 537 OD2 ASP A 38 4.142 18.608 10.083 1.00 34.32 O ATOM 0 H ASP A 38 3.059 16.506 7.092 1.00 42.13 H new ATOM 0 HA ASP A 38 4.464 18.609 5.631 1.00 74.34 H new ATOM 0 HB2 ASP A 38 4.621 19.666 7.823 1.00 65.04 H new ATOM 0 HB3 ASP A 38 2.970 19.149 7.539 1.00 65.04 H new ATOM 542 N ILE A 39 6.830 18.031 6.066 1.00 12.12 N ATOM 543 CA ILE A 39 8.221 17.620 6.206 1.00 43.05 C ATOM 544 C ILE A 39 8.328 16.123 6.473 1.00 30.42 C ATOM 545 O ILE A 39 9.050 15.691 7.372 1.00 25.42 O ATOM 546 CB ILE A 39 8.923 18.385 7.343 1.00 30.23 C ATOM 547 CG1 ILE A 39 8.235 18.099 8.680 1.00 73.04 C ATOM 548 CG2 ILE A 39 8.929 19.878 7.053 1.00 54.20 C ATOM 549 CD1 ILE A 39 7.107 19.056 8.995 1.00 14.01 C ATOM 0 H ILE A 39 6.680 18.796 5.408 1.00 12.12 H new ATOM 0 HA ILE A 39 8.715 17.854 5.263 1.00 43.05 H new ATOM 0 HB ILE A 39 9.956 18.044 7.407 1.00 30.23 H new ATOM 0 HG12 ILE A 39 7.845 17.081 8.668 1.00 73.04 H new ATOM 0 HG13 ILE A 39 8.976 18.147 9.478 1.00 73.04 H new ATOM 0 HG21 ILE A 39 9.429 20.405 7.866 1.00 54.20 H new ATOM 0 HG22 ILE A 39 9.459 20.065 6.119 1.00 54.20 H new ATOM 0 HG23 ILE A 39 7.903 20.236 6.965 1.00 54.20 H new ATOM 0 HD11 ILE A 39 6.665 18.794 9.956 1.00 14.01 H new ATOM 0 HD12 ILE A 39 7.495 20.074 9.039 1.00 14.01 H new ATOM 0 HD13 ILE A 39 6.347 18.991 8.217 1.00 14.01 H new ATOM 561 N THR A 40 7.605 15.333 5.685 1.00 34.04 N ATOM 562 CA THR A 40 7.618 13.883 5.836 1.00 11.52 C ATOM 563 C THR A 40 8.982 13.306 5.478 1.00 62.14 C ATOM 564 O THR A 40 9.487 12.412 6.157 1.00 35.23 O ATOM 565 CB THR A 40 6.544 13.217 4.956 1.00 15.20 C ATOM 566 OG1 THR A 40 6.617 11.793 5.087 1.00 12.23 O ATOM 567 CG2 THR A 40 6.722 13.607 3.496 1.00 32.14 C ATOM 0 H THR A 40 7.003 15.673 4.935 1.00 34.04 H new ATOM 0 HA THR A 40 7.401 13.672 6.883 1.00 11.52 H new ATOM 0 HB THR A 40 5.566 13.562 5.291 1.00 15.20 H new ATOM 0 HG1 THR A 40 5.930 11.377 4.525 1.00 12.23 H new ATOM 0 HG21 THR A 40 5.952 13.124 2.894 1.00 32.14 H new ATOM 0 HG22 THR A 40 6.636 14.689 3.395 1.00 32.14 H new ATOM 0 HG23 THR A 40 7.705 13.287 3.151 1.00 32.14 H new ATOM 575 N ASP A 41 9.575 13.822 4.407 1.00 41.31 N ATOM 576 CA ASP A 41 10.883 13.359 3.959 1.00 62.41 C ATOM 577 C ASP A 41 11.994 14.239 4.523 1.00 22.31 C ATOM 578 O ASP A 41 13.163 14.081 4.170 1.00 15.21 O ATOM 579 CB ASP A 41 10.949 13.350 2.431 1.00 70.31 C ATOM 580 CG ASP A 41 10.871 11.949 1.856 1.00 34.12 C ATOM 581 OD1 ASP A 41 11.598 11.062 2.352 1.00 54.41 O ATOM 582 OD2 ASP A 41 10.082 11.739 0.911 1.00 32.04 O ATOM 0 H ASP A 41 9.170 14.561 3.833 1.00 41.31 H new ATOM 0 HA ASP A 41 11.027 12.343 4.327 1.00 62.41 H new ATOM 0 HB2 ASP A 41 10.131 13.950 2.031 1.00 70.31 H new ATOM 0 HB3 ASP A 41 11.877 13.821 2.108 1.00 70.31 H new ATOM 587 N GLN A 42 11.621 15.165 5.400 1.00 53.11 N ATOM 588 CA GLN A 42 12.586 16.071 6.011 1.00 51.21 C ATOM 589 C GLN A 42 13.219 16.980 4.962 1.00 23.34 C ATOM 590 O GLN A 42 14.215 16.620 4.335 1.00 43.15 O ATOM 591 CB GLN A 42 13.672 15.278 6.739 1.00 64.54 C ATOM 592 CG GLN A 42 13.616 15.415 8.251 1.00 31.35 C ATOM 593 CD GLN A 42 12.209 15.277 8.798 1.00 74.42 C ATOM 594 OE1 GLN A 42 11.684 14.169 8.921 1.00 51.50 O ATOM 595 NE2 GLN A 42 11.589 16.403 9.129 1.00 13.23 N ATOM 0 H GLN A 42 10.658 15.308 5.703 1.00 53.11 H new ATOM 0 HA GLN A 42 12.056 16.693 6.732 1.00 51.21 H new ATOM 0 HB2 GLN A 42 13.580 14.225 6.475 1.00 64.54 H new ATOM 0 HB3 GLN A 42 14.649 15.610 6.389 1.00 64.54 H new ATOM 0 HG2 GLN A 42 14.254 14.656 8.705 1.00 31.35 H new ATOM 0 HG3 GLN A 42 14.020 16.385 8.539 1.00 31.35 H new ATOM 0 HE21 GLN A 42 12.062 17.299 9.011 1.00 13.23 H new ATOM 0 HE22 GLN A 42 10.640 16.372 9.502 1.00 13.23 H new ATOM 604 N VAL A 43 12.635 18.159 4.777 1.00 14.13 N ATOM 605 CA VAL A 43 13.142 19.120 3.805 1.00 21.21 C ATOM 606 C VAL A 43 14.638 19.351 3.990 1.00 73.52 C ATOM 607 O VAL A 43 15.094 19.697 5.080 1.00 45.44 O ATOM 608 CB VAL A 43 12.408 20.470 3.914 1.00 23.42 C ATOM 609 CG1 VAL A 43 12.983 21.471 2.924 1.00 11.54 C ATOM 610 CG2 VAL A 43 10.915 20.283 3.691 1.00 41.32 C ATOM 0 H VAL A 43 11.810 18.472 5.288 1.00 14.13 H new ATOM 0 HA VAL A 43 12.962 18.696 2.817 1.00 21.21 H new ATOM 0 HB VAL A 43 12.555 20.865 4.919 1.00 23.42 H new ATOM 0 HG11 VAL A 43 12.452 22.419 3.015 1.00 11.54 H new ATOM 0 HG12 VAL A 43 14.041 21.626 3.136 1.00 11.54 H new ATOM 0 HG13 VAL A 43 12.868 21.087 1.910 1.00 11.54 H new ATOM 0 HG21 VAL A 43 10.412 21.246 3.771 1.00 41.32 H new ATOM 0 HG22 VAL A 43 10.745 19.866 2.698 1.00 41.32 H new ATOM 0 HG23 VAL A 43 10.517 19.602 4.443 1.00 41.32 H new ATOM 620 N THR A 44 15.398 19.156 2.917 1.00 50.25 N ATOM 621 CA THR A 44 16.843 19.342 2.960 1.00 52.35 C ATOM 622 C THR A 44 17.206 20.823 2.977 1.00 22.44 C ATOM 623 O THR A 44 16.823 21.576 2.083 1.00 54.21 O ATOM 624 CB THR A 44 17.532 18.671 1.757 1.00 72.34 C ATOM 625 OG1 THR A 44 16.675 17.668 1.198 1.00 1.23 O ATOM 626 CG2 THR A 44 18.853 18.042 2.172 1.00 63.05 C ATOM 0 H THR A 44 15.037 18.869 2.007 1.00 50.25 H new ATOM 0 HA THR A 44 17.195 18.873 3.879 1.00 52.35 H new ATOM 0 HB THR A 44 17.732 19.437 1.007 1.00 72.34 H new ATOM 0 HG1 THR A 44 16.355 17.963 0.320 1.00 1.23 H new ATOM 0 HG21 THR A 44 19.321 17.574 1.306 1.00 63.05 H new ATOM 0 HG22 THR A 44 19.514 18.812 2.570 1.00 63.05 H new ATOM 0 HG23 THR A 44 18.672 17.288 2.938 1.00 63.05 H new ATOM 634 N TRP A 45 17.948 21.232 4.000 1.00 50.20 N ATOM 635 CA TRP A 45 18.364 22.624 4.133 1.00 32.12 C ATOM 636 C TRP A 45 19.784 22.820 3.615 1.00 62.43 C ATOM 637 O TRP A 45 20.684 22.042 3.934 1.00 51.14 O ATOM 638 CB TRP A 45 18.276 23.066 5.595 1.00 53.33 C ATOM 639 CG TRP A 45 18.959 22.127 6.542 1.00 43.11 C ATOM 640 CD1 TRP A 45 18.401 21.058 7.182 1.00 74.12 C ATOM 641 CD2 TRP A 45 20.329 22.175 6.957 1.00 72.22 C ATOM 642 NE1 TRP A 45 19.340 20.438 7.970 1.00 63.13 N ATOM 643 CE2 TRP A 45 20.531 21.103 7.848 1.00 4.34 C ATOM 644 CE3 TRP A 45 21.404 23.017 6.660 1.00 31.24 C ATOM 645 CZ2 TRP A 45 21.765 20.855 8.445 1.00 14.02 C ATOM 646 CZ3 TRP A 45 22.627 22.769 7.254 1.00 41.22 C ATOM 647 CH2 TRP A 45 22.800 21.695 8.137 1.00 12.42 C ATOM 0 H TRP A 45 18.274 20.621 4.749 1.00 50.20 H new ATOM 0 HA TRP A 45 17.691 23.237 3.534 1.00 32.12 H new ATOM 0 HB2 TRP A 45 18.719 24.057 5.695 1.00 53.33 H new ATOM 0 HB3 TRP A 45 17.227 23.156 5.877 1.00 53.33 H new ATOM 0 HD1 TRP A 45 17.372 20.745 7.083 1.00 74.12 H new ATOM 0 HE1 TRP A 45 19.177 19.616 8.551 1.00 63.13 H new ATOM 0 HE3 TRP A 45 21.281 23.846 5.979 1.00 31.24 H new ATOM 0 HZ2 TRP A 45 21.900 20.029 9.127 1.00 14.02 H new ATOM 0 HZ3 TRP A 45 23.464 23.415 7.034 1.00 41.22 H new ATOM 0 HH2 TRP A 45 23.769 21.527 8.583 1.00 12.42 H new ATOM 658 N ASP A 46 19.979 23.862 2.815 1.00 52.13 N ATOM 659 CA ASP A 46 21.291 24.160 2.253 1.00 2.40 C ATOM 660 C ASP A 46 21.527 25.666 2.193 1.00 2.33 C ATOM 661 O ASP A 46 20.604 26.440 1.939 1.00 70.30 O ATOM 662 CB ASP A 46 21.420 23.555 0.854 1.00 4.52 C ATOM 663 CG ASP A 46 22.681 22.728 0.695 1.00 11.23 C ATOM 664 OD1 ASP A 46 22.769 21.654 1.326 1.00 23.21 O ATOM 665 OD2 ASP A 46 23.579 23.155 -0.060 1.00 74.34 O ATOM 0 H ASP A 46 19.245 24.515 2.541 1.00 52.13 H new ATOM 0 HA ASP A 46 22.046 23.717 2.903 1.00 2.40 H new ATOM 0 HB2 ASP A 46 20.551 22.930 0.650 1.00 4.52 H new ATOM 0 HB3 ASP A 46 21.418 24.355 0.114 1.00 4.52 H new ATOM 670 N SER A 47 22.769 26.075 2.430 1.00 5.45 N ATOM 671 CA SER A 47 23.126 27.489 2.409 1.00 50.24 C ATOM 672 C SER A 47 24.333 27.731 1.507 1.00 54.22 C ATOM 673 O SER A 47 25.199 26.868 1.365 1.00 14.01 O ATOM 674 CB SER A 47 23.426 27.983 3.825 1.00 4.10 C ATOM 675 OG SER A 47 24.332 29.073 3.804 1.00 70.12 O ATOM 0 H SER A 47 23.545 25.447 2.639 1.00 5.45 H new ATOM 0 HA SER A 47 22.278 28.046 2.010 1.00 50.24 H new ATOM 0 HB2 SER A 47 22.499 28.286 4.312 1.00 4.10 H new ATOM 0 HB3 SER A 47 23.845 27.169 4.416 1.00 4.10 H new ATOM 0 HG SER A 47 25.247 28.741 3.920 1.00 70.12 H new ATOM 681 N SER A 48 24.382 28.912 0.899 1.00 53.30 N ATOM 682 CA SER A 48 25.479 29.268 0.007 1.00 4.14 C ATOM 683 C SER A 48 26.746 29.573 0.801 1.00 44.24 C ATOM 684 O SER A 48 27.852 29.538 0.262 1.00 0.54 O ATOM 685 CB SER A 48 25.097 30.476 -0.850 1.00 1.44 C ATOM 686 OG SER A 48 26.077 30.728 -1.842 1.00 10.42 O ATOM 0 H SER A 48 23.675 29.639 1.008 1.00 53.30 H new ATOM 0 HA SER A 48 25.675 28.417 -0.646 1.00 4.14 H new ATOM 0 HB2 SER A 48 24.132 30.299 -1.325 1.00 1.44 H new ATOM 0 HB3 SER A 48 24.983 31.355 -0.215 1.00 1.44 H new ATOM 0 HG SER A 48 25.809 31.504 -2.377 1.00 10.42 H new ATOM 692 N ASN A 49 26.576 29.872 2.084 1.00 14.43 N ATOM 693 CA ASN A 49 27.705 30.185 2.953 1.00 33.30 C ATOM 694 C ASN A 49 28.367 31.494 2.535 1.00 13.23 C ATOM 695 O ASN A 49 29.402 31.495 1.869 1.00 61.05 O ATOM 696 CB ASN A 49 28.729 29.049 2.920 1.00 24.03 C ATOM 697 CG ASN A 49 29.699 29.111 4.085 1.00 14.11 C ATOM 698 OD1 ASN A 49 30.894 29.341 3.901 1.00 51.22 O ATOM 699 ND2 ASN A 49 29.186 28.905 5.293 1.00 41.23 N ATOM 0 H ASN A 49 25.667 29.904 2.546 1.00 14.43 H new ATOM 0 HA ASN A 49 27.329 30.298 3.970 1.00 33.30 H new ATOM 0 HB2 ASN A 49 28.207 28.092 2.936 1.00 24.03 H new ATOM 0 HB3 ASN A 49 29.286 29.093 1.984 1.00 24.03 H new ATOM 0 HD21 ASN A 49 29.789 28.934 6.115 1.00 41.23 H new ATOM 0 HD22 ASN A 49 28.189 28.718 5.398 1.00 41.23 H new ATOM 706 N THR A 50 27.762 32.610 2.932 1.00 22.34 N ATOM 707 CA THR A 50 28.292 33.926 2.599 1.00 13.15 C ATOM 708 C THR A 50 29.395 34.336 3.568 1.00 65.22 C ATOM 709 O THR A 50 30.543 34.533 3.168 1.00 22.23 O ATOM 710 CB THR A 50 27.185 34.998 2.617 1.00 63.40 C ATOM 711 OG1 THR A 50 25.984 34.471 2.041 1.00 4.32 O ATOM 712 CG2 THR A 50 27.620 36.237 1.850 1.00 3.32 C ATOM 0 H THR A 50 26.905 32.628 3.484 1.00 22.34 H new ATOM 0 HA THR A 50 28.704 33.855 1.592 1.00 13.15 H new ATOM 0 HB THR A 50 26.998 35.279 3.653 1.00 63.40 H new ATOM 0 HG1 THR A 50 25.870 34.831 1.137 1.00 4.32 H new ATOM 0 HG21 THR A 50 26.823 36.980 1.876 1.00 3.32 H new ATOM 0 HG22 THR A 50 28.518 36.652 2.308 1.00 3.32 H new ATOM 0 HG23 THR A 50 27.832 35.969 0.815 1.00 3.32 H new ATOM 720 N ASP A 51 29.041 34.462 4.842 1.00 64.31 N ATOM 721 CA ASP A 51 30.003 34.846 5.868 1.00 2.54 C ATOM 722 C ASP A 51 29.774 34.055 7.152 1.00 61.41 C ATOM 723 O ASP A 51 30.724 33.607 7.794 1.00 24.33 O ATOM 724 CB ASP A 51 29.904 36.346 6.155 1.00 75.44 C ATOM 725 CG ASP A 51 31.248 37.041 6.074 1.00 3.03 C ATOM 726 OD1 ASP A 51 31.653 37.423 4.956 1.00 3.12 O ATOM 727 OD2 ASP A 51 31.895 37.204 7.130 1.00 43.03 O ATOM 0 H ASP A 51 28.095 34.304 5.189 1.00 64.31 H new ATOM 0 HA ASP A 51 31.002 34.620 5.496 1.00 2.54 H new ATOM 0 HB2 ASP A 51 29.218 36.805 5.443 1.00 75.44 H new ATOM 0 HB3 ASP A 51 29.480 36.496 7.148 1.00 75.44 H new ATOM 732 N ILE A 52 28.508 33.887 7.520 1.00 43.03 N ATOM 733 CA ILE A 52 28.155 33.149 8.726 1.00 2.43 C ATOM 734 C ILE A 52 26.642 33.035 8.877 1.00 21.43 C ATOM 735 O ILE A 52 25.972 33.991 9.268 1.00 12.13 O ATOM 736 CB ILE A 52 28.736 33.819 9.986 1.00 62.13 C ATOM 737 CG1 ILE A 52 28.220 33.121 11.245 1.00 33.44 C ATOM 738 CG2 ILE A 52 28.382 35.298 10.010 1.00 12.25 C ATOM 739 CD1 ILE A 52 28.513 31.637 11.277 1.00 1.02 C ATOM 0 H ILE A 52 27.710 34.252 7.000 1.00 43.03 H new ATOM 0 HA ILE A 52 28.584 32.152 8.623 1.00 2.43 H new ATOM 0 HB ILE A 52 29.822 33.726 9.962 1.00 62.13 H new ATOM 0 HG12 ILE A 52 28.668 33.591 12.121 1.00 33.44 H new ATOM 0 HG13 ILE A 52 27.143 33.272 11.319 1.00 33.44 H new ATOM 0 HG21 ILE A 52 28.799 35.758 10.906 1.00 12.25 H new ATOM 0 HG22 ILE A 52 28.795 35.785 9.127 1.00 12.25 H new ATOM 0 HG23 ILE A 52 27.298 35.413 10.015 1.00 12.25 H new ATOM 0 HD11 ILE A 52 28.118 31.208 12.198 1.00 1.02 H new ATOM 0 HD12 ILE A 52 28.041 31.154 10.421 1.00 1.02 H new ATOM 0 HD13 ILE A 52 29.591 31.478 11.235 1.00 1.02 H new ATOM 751 N LEU A 53 26.110 31.858 8.567 1.00 71.23 N ATOM 752 CA LEU A 53 24.675 31.616 8.670 1.00 51.04 C ATOM 753 C LEU A 53 24.382 30.125 8.800 1.00 31.23 C ATOM 754 O LEU A 53 25.145 29.288 8.319 1.00 61.42 O ATOM 755 CB LEU A 53 23.953 32.184 7.446 1.00 21.13 C ATOM 756 CG LEU A 53 24.059 31.360 6.162 1.00 14.33 C ATOM 757 CD1 LEU A 53 25.510 31.017 5.866 1.00 23.34 C ATOM 758 CD2 LEU A 53 23.220 30.095 6.270 1.00 24.21 C ATOM 0 H LEU A 53 26.651 31.056 8.242 1.00 71.23 H new ATOM 0 HA LEU A 53 24.310 32.119 9.566 1.00 51.04 H new ATOM 0 HB2 LEU A 53 22.898 32.301 7.693 1.00 21.13 H new ATOM 0 HB3 LEU A 53 24.346 33.181 7.248 1.00 21.13 H new ATOM 0 HG LEU A 53 23.674 31.958 5.336 1.00 14.33 H new ATOM 0 HD11 LEU A 53 25.565 30.431 4.949 1.00 23.34 H new ATOM 0 HD12 LEU A 53 26.084 31.936 5.744 1.00 23.34 H new ATOM 0 HD13 LEU A 53 25.923 30.438 6.692 1.00 23.34 H new ATOM 0 HD21 LEU A 53 23.307 29.521 5.348 1.00 24.21 H new ATOM 0 HD22 LEU A 53 23.575 29.493 7.107 1.00 24.21 H new ATOM 0 HD23 LEU A 53 22.176 30.363 6.433 1.00 24.21 H new ATOM 770 N SER A 54 23.270 29.800 9.453 1.00 44.31 N ATOM 771 CA SER A 54 22.877 28.410 9.648 1.00 31.13 C ATOM 772 C SER A 54 21.409 28.205 9.288 1.00 73.13 C ATOM 773 O SER A 54 20.561 29.046 9.589 1.00 22.11 O ATOM 774 CB SER A 54 23.121 27.987 11.098 1.00 5.43 C ATOM 775 OG SER A 54 23.809 28.998 11.815 1.00 52.40 O ATOM 0 H SER A 54 22.626 30.481 9.856 1.00 44.31 H new ATOM 0 HA SER A 54 23.485 27.791 8.989 1.00 31.13 H new ATOM 0 HB2 SER A 54 22.168 27.776 11.584 1.00 5.43 H new ATOM 0 HB3 SER A 54 23.700 27.064 11.118 1.00 5.43 H new ATOM 0 HG SER A 54 23.951 28.704 12.739 1.00 52.40 H new ATOM 781 N ILE A 55 21.116 27.082 8.641 1.00 62.21 N ATOM 782 CA ILE A 55 19.751 26.765 8.240 1.00 41.22 C ATOM 783 C ILE A 55 19.289 25.449 8.855 1.00 33.21 C ATOM 784 O ILE A 55 19.967 24.428 8.744 1.00 72.54 O ATOM 785 CB ILE A 55 19.621 26.677 6.708 1.00 74.32 C ATOM 786 CG1 ILE A 55 20.315 27.868 6.045 1.00 4.03 C ATOM 787 CG2 ILE A 55 18.155 26.619 6.304 1.00 50.45 C ATOM 788 CD1 ILE A 55 19.789 29.208 6.508 1.00 55.54 C ATOM 0 H ILE A 55 21.806 26.376 8.383 1.00 62.21 H new ATOM 0 HA ILE A 55 19.119 27.575 8.604 1.00 41.22 H new ATOM 0 HB ILE A 55 20.108 25.763 6.369 1.00 74.32 H new ATOM 0 HG12 ILE A 55 21.384 27.816 6.251 1.00 4.03 H new ATOM 0 HG13 ILE A 55 20.194 27.793 4.964 1.00 4.03 H new ATOM 0 HG21 ILE A 55 18.079 26.557 5.218 1.00 50.45 H new ATOM 0 HG22 ILE A 55 17.689 25.741 6.751 1.00 50.45 H new ATOM 0 HG23 ILE A 55 17.646 27.517 6.653 1.00 50.45 H new ATOM 0 HD11 ILE A 55 20.327 30.006 5.997 1.00 55.54 H new ATOM 0 HD12 ILE A 55 18.726 29.281 6.278 1.00 55.54 H new ATOM 0 HD13 ILE A 55 19.935 29.304 7.584 1.00 55.54 H new ATOM 800 N SER A 56 18.129 25.480 9.503 1.00 33.03 N ATOM 801 CA SER A 56 17.576 24.290 10.138 1.00 34.54 C ATOM 802 C SER A 56 16.169 24.003 9.623 1.00 73.44 C ATOM 803 O SER A 56 15.315 24.888 9.591 1.00 62.15 O ATOM 804 CB SER A 56 17.548 24.462 11.658 1.00 5.42 C ATOM 805 OG SER A 56 18.315 23.458 12.300 1.00 43.05 O ATOM 0 H SER A 56 17.554 26.317 9.602 1.00 33.03 H new ATOM 0 HA SER A 56 18.217 23.445 9.887 1.00 34.54 H new ATOM 0 HB2 SER A 56 17.936 25.445 11.923 1.00 5.42 H new ATOM 0 HB3 SER A 56 16.518 24.420 12.013 1.00 5.42 H new ATOM 0 HG SER A 56 18.282 23.592 13.270 1.00 43.05 H new ATOM 811 N ASN A 57 15.935 22.758 9.220 1.00 65.34 N ATOM 812 CA ASN A 57 14.633 22.353 8.704 1.00 33.44 C ATOM 813 C ASN A 57 14.175 21.047 9.348 1.00 12.54 C ATOM 814 O ASN A 57 13.395 20.295 8.764 1.00 2.45 O ATOM 815 CB ASN A 57 14.690 22.191 7.184 1.00 40.41 C ATOM 816 CG ASN A 57 14.789 23.523 6.465 1.00 63.23 C ATOM 817 OD1 ASN A 57 14.734 24.583 7.088 1.00 53.22 O ATOM 818 ND2 ASN A 57 14.937 23.473 5.146 1.00 51.10 N ATOM 0 H ASN A 57 16.631 22.012 9.241 1.00 65.34 H new ATOM 0 HA ASN A 57 13.914 23.133 8.953 1.00 33.44 H new ATOM 0 HB2 ASN A 57 15.548 21.573 6.919 1.00 40.41 H new ATOM 0 HB3 ASN A 57 13.799 21.663 6.844 1.00 40.41 H new ATOM 0 HD21 ASN A 57 15.010 24.336 4.608 1.00 51.10 H new ATOM 0 HD22 ASN A 57 14.978 22.571 4.671 1.00 51.10 H new ATOM 825 N ALA A 58 14.665 20.786 10.556 1.00 52.12 N ATOM 826 CA ALA A 58 14.304 19.574 11.281 1.00 62.14 C ATOM 827 C ALA A 58 14.516 19.748 12.781 1.00 60.33 C ATOM 828 O ALA A 58 14.697 18.772 13.509 1.00 65.23 O ATOM 829 CB ALA A 58 15.111 18.391 10.765 1.00 11.31 C ATOM 0 H ALA A 58 15.313 21.398 11.053 1.00 52.12 H new ATOM 0 HA ALA A 58 13.245 19.380 11.111 1.00 62.14 H new ATOM 0 HB1 ALA A 58 14.832 17.492 11.315 1.00 11.31 H new ATOM 0 HB2 ALA A 58 14.906 18.246 9.704 1.00 11.31 H new ATOM 0 HB3 ALA A 58 16.174 18.587 10.906 1.00 11.31 H new ATOM 835 N SER A 59 14.492 20.996 13.236 1.00 5.13 N ATOM 836 CA SER A 59 14.687 21.298 14.650 1.00 74.23 C ATOM 837 C SER A 59 13.569 20.692 15.493 1.00 72.20 C ATOM 838 O SER A 59 13.741 20.445 16.687 1.00 51.31 O ATOM 839 CB SER A 59 14.742 22.811 14.867 1.00 14.11 C ATOM 840 OG SER A 59 14.562 23.137 16.234 1.00 24.25 O ATOM 0 H SER A 59 14.340 21.815 12.647 1.00 5.13 H new ATOM 0 HA SER A 59 15.634 20.859 14.963 1.00 74.23 H new ATOM 0 HB2 SER A 59 15.701 23.196 14.521 1.00 14.11 H new ATOM 0 HB3 SER A 59 13.970 23.296 14.270 1.00 14.11 H new ATOM 0 HG SER A 59 14.603 24.110 16.346 1.00 24.25 H new ATOM 846 N ASP A 60 12.424 20.454 14.863 1.00 14.51 N ATOM 847 CA ASP A 60 11.277 19.876 15.554 1.00 54.42 C ATOM 848 C ASP A 60 10.155 19.557 14.571 1.00 72.24 C ATOM 849 O ASP A 60 9.459 18.551 14.713 1.00 51.51 O ATOM 850 CB ASP A 60 10.769 20.834 16.633 1.00 75.30 C ATOM 851 CG ASP A 60 10.867 20.242 18.025 1.00 22.51 C ATOM 852 OD1 ASP A 60 9.947 19.495 18.419 1.00 54.53 O ATOM 853 OD2 ASP A 60 11.865 20.525 18.721 1.00 34.15 O ATOM 0 H ASP A 60 12.265 20.652 13.875 1.00 14.51 H new ATOM 0 HA ASP A 60 11.598 18.947 16.025 1.00 54.42 H new ATOM 0 HB2 ASP A 60 11.344 21.759 16.593 1.00 75.30 H new ATOM 0 HB3 ASP A 60 9.731 21.094 16.424 1.00 75.30 H new ATOM 858 N SER A 61 9.984 20.420 13.574 1.00 25.31 N ATOM 859 CA SER A 61 8.944 20.232 12.570 1.00 51.11 C ATOM 860 C SER A 61 9.023 21.314 11.497 1.00 32.01 C ATOM 861 O SER A 61 9.334 21.035 10.339 1.00 64.51 O ATOM 862 CB SER A 61 7.562 20.249 13.227 1.00 4.41 C ATOM 863 OG SER A 61 7.497 21.227 14.251 1.00 71.01 O ATOM 0 H SER A 61 10.553 21.256 13.440 1.00 25.31 H new ATOM 0 HA SER A 61 9.101 19.263 12.097 1.00 51.11 H new ATOM 0 HB2 SER A 61 6.801 20.454 12.475 1.00 4.41 H new ATOM 0 HB3 SER A 61 7.342 19.266 13.644 1.00 4.41 H new ATOM 0 HG SER A 61 6.604 21.219 14.654 1.00 71.01 H new ATOM 869 N HIS A 62 8.738 22.551 11.891 1.00 1.21 N ATOM 870 CA HIS A 62 8.777 23.677 10.964 1.00 21.32 C ATOM 871 C HIS A 62 10.217 24.058 10.633 1.00 13.31 C ATOM 872 O HIS A 62 11.117 23.899 11.457 1.00 53.14 O ATOM 873 CB HIS A 62 8.042 24.879 11.558 1.00 41.04 C ATOM 874 CG HIS A 62 6.793 25.244 10.815 1.00 25.23 C ATOM 875 ND1 HIS A 62 5.561 24.695 11.100 1.00 20.12 N ATOM 876 CD2 HIS A 62 6.591 26.110 9.795 1.00 62.43 C ATOM 877 CE1 HIS A 62 4.655 25.206 10.286 1.00 60.12 C ATOM 878 NE2 HIS A 62 5.254 26.068 9.484 1.00 63.51 N ATOM 0 H HIS A 62 8.478 22.799 12.845 1.00 1.21 H new ATOM 0 HA HIS A 62 8.279 23.375 10.043 1.00 21.32 H new ATOM 0 HB2 HIS A 62 7.788 24.663 12.596 1.00 41.04 H new ATOM 0 HB3 HIS A 62 8.714 25.737 11.567 1.00 41.04 H new ATOM 0 HD2 HIS A 62 7.341 26.721 9.315 1.00 62.43 H new ATOM 0 HE1 HIS A 62 3.603 24.961 10.278 1.00 60.12 H new ATOM 0 HE2 HIS A 62 4.798 26.614 8.753 1.00 63.51 H new ATOM 886 N GLY A 63 10.427 24.562 9.421 1.00 54.34 N ATOM 887 CA GLY A 63 11.759 24.958 9.002 1.00 32.40 C ATOM 888 C GLY A 63 12.029 26.430 9.241 1.00 74.11 C ATOM 889 O GLY A 63 11.110 27.199 9.527 1.00 72.13 O ATOM 0 H GLY A 63 9.698 24.703 8.721 1.00 54.34 H new ATOM 0 HA2 GLY A 63 12.497 24.364 9.541 1.00 32.40 H new ATOM 0 HA3 GLY A 63 11.884 24.736 7.942 1.00 32.40 H new ATOM 893 N LEU A 64 13.292 26.824 9.125 1.00 12.45 N ATOM 894 CA LEU A 64 13.681 28.215 9.333 1.00 50.15 C ATOM 895 C LEU A 64 15.106 28.460 8.846 1.00 31.14 C ATOM 896 O LEU A 64 15.845 27.519 8.559 1.00 75.40 O ATOM 897 CB LEU A 64 13.565 28.583 10.813 1.00 73.22 C ATOM 898 CG LEU A 64 13.684 27.424 11.804 1.00 45.44 C ATOM 899 CD1 LEU A 64 15.071 26.804 11.735 1.00 43.24 C ATOM 900 CD2 LEU A 64 13.380 27.898 13.217 1.00 12.13 C ATOM 0 H LEU A 64 14.064 26.201 8.888 1.00 12.45 H new ATOM 0 HA LEU A 64 13.005 28.846 8.755 1.00 50.15 H new ATOM 0 HB2 LEU A 64 14.338 29.315 11.046 1.00 73.22 H new ATOM 0 HB3 LEU A 64 12.604 29.073 10.971 1.00 73.22 H new ATOM 0 HG LEU A 64 12.953 26.662 11.533 1.00 45.44 H new ATOM 0 HD11 LEU A 64 15.138 25.981 12.447 1.00 43.24 H new ATOM 0 HD12 LEU A 64 15.252 26.428 10.728 1.00 43.24 H new ATOM 0 HD13 LEU A 64 15.819 27.558 11.981 1.00 43.24 H new ATOM 0 HD21 LEU A 64 13.469 27.060 13.909 1.00 12.13 H new ATOM 0 HD22 LEU A 64 14.087 28.679 13.499 1.00 12.13 H new ATOM 0 HD23 LEU A 64 12.366 28.295 13.257 1.00 12.13 H new ATOM 912 N ALA A 65 15.486 29.730 8.759 1.00 13.51 N ATOM 913 CA ALA A 65 16.823 30.099 8.312 1.00 23.02 C ATOM 914 C ALA A 65 17.337 31.320 9.067 1.00 41.42 C ATOM 915 O ALA A 65 16.703 32.375 9.065 1.00 51.44 O ATOM 916 CB ALA A 65 16.825 30.363 6.814 1.00 61.43 C ATOM 0 H ALA A 65 14.886 30.521 8.992 1.00 13.51 H new ATOM 0 HA ALA A 65 17.493 29.265 8.524 1.00 23.02 H new ATOM 0 HB1 ALA A 65 17.830 30.638 6.494 1.00 61.43 H new ATOM 0 HB2 ALA A 65 16.509 29.463 6.286 1.00 61.43 H new ATOM 0 HB3 ALA A 65 16.137 31.177 6.587 1.00 61.43 H new ATOM 922 N SER A 66 18.489 31.170 9.712 1.00 3.12 N ATOM 923 CA SER A 66 19.086 32.260 10.475 1.00 0.12 C ATOM 924 C SER A 66 20.415 32.690 9.861 1.00 72.53 C ATOM 925 O SER A 66 21.193 31.859 9.391 1.00 24.34 O ATOM 926 CB SER A 66 19.297 31.837 11.930 1.00 21.41 C ATOM 927 OG SER A 66 19.420 32.966 12.777 1.00 33.03 O ATOM 0 H SER A 66 19.028 30.304 9.722 1.00 3.12 H new ATOM 0 HA SER A 66 18.401 33.108 10.446 1.00 0.12 H new ATOM 0 HB2 SER A 66 18.459 31.222 12.258 1.00 21.41 H new ATOM 0 HB3 SER A 66 20.193 31.222 12.007 1.00 21.41 H new ATOM 0 HG SER A 66 19.552 32.669 13.701 1.00 33.03 H new ATOM 933 N THR A 67 20.668 33.995 9.867 1.00 63.40 N ATOM 934 CA THR A 67 21.901 34.536 9.310 1.00 42.41 C ATOM 935 C THR A 67 22.520 35.570 10.245 1.00 75.43 C ATOM 936 O THR A 67 21.820 36.201 11.038 1.00 43.40 O ATOM 937 CB THR A 67 21.658 35.186 7.934 1.00 25.43 C ATOM 938 OG1 THR A 67 20.974 36.433 8.095 1.00 1.12 O ATOM 939 CG2 THR A 67 20.843 34.266 7.038 1.00 31.22 C ATOM 0 H THR A 67 20.035 34.697 10.251 1.00 63.40 H new ATOM 0 HA THR A 67 22.589 33.698 9.192 1.00 42.41 H new ATOM 0 HB THR A 67 22.625 35.362 7.464 1.00 25.43 H new ATOM 0 HG1 THR A 67 20.302 36.531 7.389 1.00 1.12 H new ATOM 0 HG21 THR A 67 20.684 34.746 6.072 1.00 31.22 H new ATOM 0 HG22 THR A 67 21.381 33.329 6.893 1.00 31.22 H new ATOM 0 HG23 THR A 67 19.879 34.063 7.505 1.00 31.22 H new ATOM 947 N LEU A 68 23.834 35.738 10.146 1.00 15.04 N ATOM 948 CA LEU A 68 24.547 36.697 10.984 1.00 73.44 C ATOM 949 C LEU A 68 25.708 37.327 10.221 1.00 13.22 C ATOM 950 O LEU A 68 26.768 37.586 10.789 1.00 52.51 O ATOM 951 CB LEU A 68 25.065 36.012 12.249 1.00 30.43 C ATOM 952 CG LEU A 68 24.143 34.962 12.870 1.00 35.11 C ATOM 953 CD1 LEU A 68 24.394 33.596 12.250 1.00 42.32 C ATOM 954 CD2 LEU A 68 24.335 34.908 14.379 1.00 51.13 C ATOM 0 H LEU A 68 24.427 35.224 9.495 1.00 15.04 H new ATOM 0 HA LEU A 68 23.850 37.486 11.266 1.00 73.44 H new ATOM 0 HB2 LEU A 68 26.018 35.537 12.016 1.00 30.43 H new ATOM 0 HB3 LEU A 68 25.265 36.779 12.997 1.00 30.43 H new ATOM 0 HG LEU A 68 23.111 35.247 12.665 1.00 35.11 H new ATOM 0 HD11 LEU A 68 23.729 32.862 12.705 1.00 42.32 H new ATOM 0 HD12 LEU A 68 24.204 33.643 11.178 1.00 42.32 H new ATOM 0 HD13 LEU A 68 25.430 33.303 12.423 1.00 42.32 H new ATOM 0 HD21 LEU A 68 23.671 34.155 14.804 1.00 51.13 H new ATOM 0 HD22 LEU A 68 25.369 34.648 14.605 1.00 51.13 H new ATOM 0 HD23 LEU A 68 24.103 35.882 14.810 1.00 51.13 H new ATOM 966 N ASN A 69 25.498 37.573 8.932 1.00 2.30 N ATOM 967 CA ASN A 69 26.527 38.176 8.092 1.00 70.51 C ATOM 968 C ASN A 69 26.024 39.470 7.460 1.00 62.23 C ATOM 969 O ASN A 69 24.859 39.835 7.614 1.00 2.11 O ATOM 970 CB ASN A 69 26.961 37.196 6.999 1.00 14.04 C ATOM 971 CG ASN A 69 25.799 36.738 6.139 1.00 34.23 C ATOM 972 OD1 ASN A 69 25.634 37.190 5.006 1.00 2.33 O ATOM 973 ND2 ASN A 69 24.985 35.835 6.676 1.00 44.42 N ATOM 0 H ASN A 69 24.626 37.364 8.447 1.00 2.30 H new ATOM 0 HA ASN A 69 27.385 38.410 8.722 1.00 70.51 H new ATOM 0 HB2 ASN A 69 27.712 37.670 6.367 1.00 14.04 H new ATOM 0 HB3 ASN A 69 27.433 36.328 7.459 1.00 14.04 H new ATOM 0 HD21 ASN A 69 24.186 35.489 6.145 1.00 44.42 H new ATOM 0 HD22 ASN A 69 25.160 35.488 7.619 1.00 44.42 H new ATOM 980 N GLN A 70 26.911 40.158 6.748 1.00 60.33 N ATOM 981 CA GLN A 70 26.557 41.411 6.092 1.00 12.14 C ATOM 982 C GLN A 70 26.666 41.283 4.577 1.00 61.24 C ATOM 983 O GLN A 70 27.306 42.102 3.919 1.00 62.12 O ATOM 984 CB GLN A 70 27.460 42.543 6.587 1.00 72.52 C ATOM 985 CG GLN A 70 27.530 42.647 8.102 1.00 63.23 C ATOM 986 CD GLN A 70 28.952 42.587 8.625 1.00 33.33 C ATOM 987 OE1 GLN A 70 29.431 43.524 9.263 1.00 13.54 O ATOM 988 NE2 GLN A 70 29.635 41.480 8.358 1.00 61.12 N ATOM 0 H GLN A 70 27.879 39.869 6.611 1.00 60.33 H new ATOM 0 HA GLN A 70 25.522 41.644 6.344 1.00 12.14 H new ATOM 0 HB2 GLN A 70 28.466 42.392 6.195 1.00 72.52 H new ATOM 0 HB3 GLN A 70 27.098 43.488 6.183 1.00 72.52 H new ATOM 0 HG2 GLN A 70 27.069 43.582 8.420 1.00 63.23 H new ATOM 0 HG3 GLN A 70 26.949 41.838 8.545 1.00 63.23 H new ATOM 0 HE21 GLN A 70 29.199 40.727 7.825 1.00 61.12 H new ATOM 0 HE22 GLN A 70 30.596 41.382 8.685 1.00 61.12 H new ATOM 997 N GLY A 71 26.037 40.248 4.028 1.00 34.11 N ATOM 998 CA GLY A 71 26.076 40.031 2.594 1.00 41.03 C ATOM 999 C GLY A 71 24.820 39.361 2.074 1.00 72.21 C ATOM 1000 O GLY A 71 23.730 39.574 2.603 1.00 1.33 O ATOM 0 H GLY A 71 25.501 39.556 4.551 1.00 34.11 H new ATOM 0 HA2 GLY A 71 26.210 40.987 2.089 1.00 41.03 H new ATOM 0 HA3 GLY A 71 26.941 39.416 2.346 1.00 41.03 H new ATOM 1004 N ASN A 72 24.972 38.549 1.033 1.00 73.23 N ATOM 1005 CA ASN A 72 23.839 37.847 0.439 1.00 24.23 C ATOM 1006 C ASN A 72 24.076 36.340 0.435 1.00 74.51 C ATOM 1007 O ASN A 72 25.102 35.862 -0.049 1.00 2.52 O ATOM 1008 CB ASN A 72 23.598 38.341 -0.988 1.00 72.35 C ATOM 1009 CG ASN A 72 24.877 38.786 -1.670 1.00 61.04 C ATOM 1010 OD1 ASN A 72 25.483 38.032 -2.432 1.00 31.54 O ATOM 1011 ND2 ASN A 72 25.294 40.017 -1.399 1.00 42.24 N ATOM 0 H ASN A 72 25.868 38.361 0.583 1.00 73.23 H new ATOM 0 HA ASN A 72 22.956 38.057 1.042 1.00 24.23 H new ATOM 0 HB2 ASN A 72 23.136 37.545 -1.572 1.00 72.35 H new ATOM 0 HB3 ASN A 72 22.892 39.172 -0.968 1.00 72.35 H new ATOM 0 HD21 ASN A 72 26.148 40.372 -1.829 1.00 42.24 H new ATOM 0 HD22 ASN A 72 24.760 40.607 -0.761 1.00 42.24 H new ATOM 1018 N VAL A 73 23.117 35.594 0.977 1.00 44.34 N ATOM 1019 CA VAL A 73 23.219 34.141 1.034 1.00 65.01 C ATOM 1020 C VAL A 73 22.085 33.479 0.259 1.00 2.43 C ATOM 1021 O VAL A 73 21.043 34.090 0.020 1.00 32.43 O ATOM 1022 CB VAL A 73 23.198 33.634 2.488 1.00 73.40 C ATOM 1023 CG1 VAL A 73 21.804 33.770 3.081 1.00 55.44 C ATOM 1024 CG2 VAL A 73 23.676 32.191 2.556 1.00 74.03 C ATOM 0 H VAL A 73 22.261 35.973 1.383 1.00 44.34 H new ATOM 0 HA VAL A 73 24.171 33.872 0.577 1.00 65.01 H new ATOM 0 HB VAL A 73 23.879 34.247 3.078 1.00 73.40 H new ATOM 0 HG11 VAL A 73 21.809 33.407 4.109 1.00 55.44 H new ATOM 0 HG12 VAL A 73 21.504 34.818 3.068 1.00 55.44 H new ATOM 0 HG13 VAL A 73 21.099 33.183 2.492 1.00 55.44 H new ATOM 0 HG21 VAL A 73 23.655 31.849 3.591 1.00 74.03 H new ATOM 0 HG22 VAL A 73 23.022 31.562 1.952 1.00 74.03 H new ATOM 0 HG23 VAL A 73 24.695 32.127 2.174 1.00 74.03 H new ATOM 1034 N LYS A 74 22.295 32.227 -0.131 1.00 35.31 N ATOM 1035 CA LYS A 74 21.290 31.479 -0.877 1.00 54.35 C ATOM 1036 C LYS A 74 20.808 30.270 -0.082 1.00 3.11 C ATOM 1037 O LYS A 74 21.605 29.423 0.321 1.00 20.34 O ATOM 1038 CB LYS A 74 21.858 31.024 -2.223 1.00 43.13 C ATOM 1039 CG LYS A 74 20.849 31.071 -3.357 1.00 50.14 C ATOM 1040 CD LYS A 74 20.409 32.495 -3.654 1.00 22.02 C ATOM 1041 CE LYS A 74 20.751 32.898 -5.080 1.00 54.31 C ATOM 1042 NZ LYS A 74 20.801 34.378 -5.241 1.00 63.10 N ATOM 0 H LYS A 74 23.153 31.708 0.057 1.00 35.31 H new ATOM 0 HA LYS A 74 20.440 32.138 -1.052 1.00 54.35 H new ATOM 0 HB2 LYS A 74 22.710 31.654 -2.480 1.00 43.13 H new ATOM 0 HB3 LYS A 74 22.233 30.005 -2.124 1.00 43.13 H new ATOM 0 HG2 LYS A 74 21.286 30.630 -4.253 1.00 50.14 H new ATOM 0 HG3 LYS A 74 19.979 30.467 -3.097 1.00 50.14 H new ATOM 0 HD2 LYS A 74 19.334 32.585 -3.497 1.00 22.02 H new ATOM 0 HD3 LYS A 74 20.891 33.179 -2.956 1.00 22.02 H new ATOM 0 HE2 LYS A 74 21.714 32.470 -5.357 1.00 54.31 H new ATOM 0 HE3 LYS A 74 20.009 32.483 -5.763 1.00 54.31 H new ATOM 0 HZ1 LYS A 74 20.111 34.672 -5.961 1.00 63.10 H new ATOM 0 HZ2 LYS A 74 20.572 34.834 -4.335 1.00 63.10 H new ATOM 0 HZ3 LYS A 74 21.756 34.663 -5.540 1.00 63.10 H new ATOM 1056 N VAL A 75 19.500 30.196 0.140 1.00 73.34 N ATOM 1057 CA VAL A 75 18.912 29.089 0.885 1.00 61.24 C ATOM 1058 C VAL A 75 17.982 28.265 0.002 1.00 75.21 C ATOM 1059 O VAL A 75 17.006 28.781 -0.545 1.00 5.40 O ATOM 1060 CB VAL A 75 18.127 29.591 2.111 1.00 40.53 C ATOM 1061 CG1 VAL A 75 17.743 28.428 3.013 1.00 41.53 C ATOM 1062 CG2 VAL A 75 18.940 30.625 2.876 1.00 33.11 C ATOM 0 H VAL A 75 18.827 30.890 -0.186 1.00 73.34 H new ATOM 0 HA VAL A 75 19.737 28.462 1.223 1.00 61.24 H new ATOM 0 HB VAL A 75 17.210 30.067 1.764 1.00 40.53 H new ATOM 0 HG11 VAL A 75 17.189 28.803 3.874 1.00 41.53 H new ATOM 0 HG12 VAL A 75 17.120 27.727 2.458 1.00 41.53 H new ATOM 0 HG13 VAL A 75 18.645 27.920 3.355 1.00 41.53 H new ATOM 0 HG21 VAL A 75 18.371 30.969 3.739 1.00 33.11 H new ATOM 0 HG22 VAL A 75 19.874 30.176 3.213 1.00 33.11 H new ATOM 0 HG23 VAL A 75 19.158 31.471 2.224 1.00 33.11 H new ATOM 1072 N THR A 76 18.288 26.978 -0.133 1.00 43.24 N ATOM 1073 CA THR A 76 17.480 26.082 -0.950 1.00 63.42 C ATOM 1074 C THR A 76 16.825 25.002 -0.097 1.00 74.32 C ATOM 1075 O THR A 76 17.406 24.531 0.880 1.00 41.11 O ATOM 1076 CB THR A 76 18.324 25.409 -2.050 1.00 3.54 C ATOM 1077 OG1 THR A 76 19.710 25.436 -1.689 1.00 13.13 O ATOM 1078 CG2 THR A 76 18.129 26.110 -3.386 1.00 5.23 C ATOM 0 H THR A 76 19.090 26.533 0.313 1.00 43.24 H new ATOM 0 HA THR A 76 16.707 26.692 -1.418 1.00 63.42 H new ATOM 0 HB THR A 76 17.995 24.375 -2.149 1.00 3.54 H new ATOM 0 HG1 THR A 76 20.240 25.005 -2.392 1.00 13.13 H new ATOM 0 HG21 THR A 76 18.734 25.618 -4.147 1.00 5.23 H new ATOM 0 HG22 THR A 76 17.078 26.063 -3.672 1.00 5.23 H new ATOM 0 HG23 THR A 76 18.435 27.153 -3.298 1.00 5.23 H new ATOM 1086 N ALA A 77 15.611 24.613 -0.474 1.00 31.44 N ATOM 1087 CA ALA A 77 14.877 23.586 0.256 1.00 65.42 C ATOM 1088 C ALA A 77 14.241 22.582 -0.700 1.00 11.32 C ATOM 1089 O ALA A 77 13.617 22.964 -1.690 1.00 34.51 O ATOM 1090 CB ALA A 77 13.815 24.223 1.140 1.00 64.24 C ATOM 0 H ALA A 77 15.115 24.993 -1.280 1.00 31.44 H new ATOM 0 HA ALA A 77 15.584 23.049 0.888 1.00 65.42 H new ATOM 0 HB1 ALA A 77 13.275 23.444 1.679 1.00 64.24 H new ATOM 0 HB2 ALA A 77 14.291 24.895 1.854 1.00 64.24 H new ATOM 0 HB3 ALA A 77 13.117 24.787 0.521 1.00 64.24 H new ATOM 1096 N SER A 78 14.404 21.298 -0.397 1.00 53.32 N ATOM 1097 CA SER A 78 13.848 20.240 -1.232 1.00 65.33 C ATOM 1098 C SER A 78 13.323 19.091 -0.376 1.00 42.41 C ATOM 1099 O SER A 78 13.948 18.703 0.611 1.00 11.04 O ATOM 1100 CB SER A 78 14.908 19.721 -2.207 1.00 11.24 C ATOM 1101 OG SER A 78 15.838 18.879 -1.548 1.00 1.21 O ATOM 0 H SER A 78 14.916 20.966 0.420 1.00 53.32 H new ATOM 0 HA SER A 78 13.016 20.658 -1.799 1.00 65.33 H new ATOM 0 HB2 SER A 78 14.425 19.172 -3.016 1.00 11.24 H new ATOM 0 HB3 SER A 78 15.432 20.562 -2.661 1.00 11.24 H new ATOM 0 HG SER A 78 16.504 18.559 -2.192 1.00 1.21 H new ATOM 1107 N ILE A 79 12.171 18.553 -0.762 1.00 64.10 N ATOM 1108 CA ILE A 79 11.562 17.449 -0.031 1.00 61.22 C ATOM 1109 C ILE A 79 11.020 16.390 -0.986 1.00 2.32 C ATOM 1110 O ILE A 79 10.285 16.701 -1.922 1.00 15.35 O ATOM 1111 CB ILE A 79 10.419 17.938 0.877 1.00 32.15 C ATOM 1112 CG1 ILE A 79 9.712 16.748 1.529 1.00 34.05 C ATOM 1113 CG2 ILE A 79 9.431 18.777 0.081 1.00 72.54 C ATOM 1114 CD1 ILE A 79 9.557 16.884 3.028 1.00 13.20 C ATOM 0 H ILE A 79 11.641 18.864 -1.576 1.00 64.10 H new ATOM 0 HA ILE A 79 12.345 17.010 0.588 1.00 61.22 H new ATOM 0 HB ILE A 79 10.842 18.561 1.665 1.00 32.15 H new ATOM 0 HG12 ILE A 79 8.726 16.631 1.079 1.00 34.05 H new ATOM 0 HG13 ILE A 79 10.272 15.839 1.311 1.00 34.05 H new ATOM 0 HG21 ILE A 79 8.629 19.115 0.737 1.00 72.54 H new ATOM 0 HG22 ILE A 79 9.944 19.642 -0.340 1.00 72.54 H new ATOM 0 HG23 ILE A 79 9.011 18.176 -0.726 1.00 72.54 H new ATOM 0 HD11 ILE A 79 9.048 16.005 3.422 1.00 13.20 H new ATOM 0 HD12 ILE A 79 10.541 16.971 3.489 1.00 13.20 H new ATOM 0 HD13 ILE A 79 8.971 17.775 3.254 1.00 13.20 H new ATOM 1126 N GLY A 80 11.388 15.136 -0.741 1.00 43.21 N ATOM 1127 CA GLY A 80 10.929 14.050 -1.586 1.00 73.25 C ATOM 1128 C GLY A 80 11.405 14.188 -3.019 1.00 1.32 C ATOM 1129 O GLY A 80 12.507 13.759 -3.358 1.00 41.30 O ATOM 0 H GLY A 80 11.996 14.853 0.028 1.00 43.21 H new ATOM 0 HA2 GLY A 80 11.283 13.103 -1.179 1.00 73.25 H new ATOM 0 HA3 GLY A 80 9.840 14.017 -1.570 1.00 73.25 H new ATOM 1133 N GLY A 81 10.571 14.788 -3.863 1.00 43.31 N ATOM 1134 CA GLY A 81 10.931 14.970 -5.257 1.00 74.54 C ATOM 1135 C GLY A 81 11.098 16.430 -5.628 1.00 25.23 C ATOM 1136 O GLY A 81 12.212 16.888 -5.884 1.00 64.33 O ATOM 0 H GLY A 81 9.653 15.151 -3.606 1.00 43.31 H new ATOM 0 HA2 GLY A 81 11.860 14.438 -5.461 1.00 74.54 H new ATOM 0 HA3 GLY A 81 10.163 14.524 -5.888 1.00 74.54 H new ATOM 1140 N ILE A 82 9.990 17.162 -5.657 1.00 42.15 N ATOM 1141 CA ILE A 82 10.020 18.579 -6.000 1.00 22.40 C ATOM 1142 C ILE A 82 10.945 19.351 -5.065 1.00 35.12 C ATOM 1143 O ILE A 82 11.108 18.989 -3.900 1.00 71.41 O ATOM 1144 CB ILE A 82 8.613 19.202 -5.942 1.00 71.43 C ATOM 1145 CG1 ILE A 82 7.639 18.396 -6.804 1.00 32.51 C ATOM 1146 CG2 ILE A 82 8.657 20.652 -6.399 1.00 12.21 C ATOM 1147 CD1 ILE A 82 8.037 18.325 -8.261 1.00 41.25 C ATOM 0 H ILE A 82 9.061 16.798 -5.447 1.00 42.15 H new ATOM 0 HA ILE A 82 10.397 18.649 -7.020 1.00 22.40 H new ATOM 0 HB ILE A 82 8.263 19.177 -4.910 1.00 71.43 H new ATOM 0 HG12 ILE A 82 7.566 17.384 -6.406 1.00 32.51 H new ATOM 0 HG13 ILE A 82 6.646 18.840 -6.728 1.00 32.51 H new ATOM 0 HG21 ILE A 82 7.655 21.079 -6.352 1.00 12.21 H new ATOM 0 HG22 ILE A 82 9.323 21.218 -5.748 1.00 12.21 H new ATOM 0 HG23 ILE A 82 9.024 20.699 -7.424 1.00 12.21 H new ATOM 0 HD11 ILE A 82 7.301 17.738 -8.811 1.00 41.25 H new ATOM 0 HD12 ILE A 82 8.082 19.332 -8.676 1.00 41.25 H new ATOM 0 HD13 ILE A 82 9.016 17.853 -8.348 1.00 41.25 H new ATOM 1159 N GLN A 83 11.545 20.417 -5.583 1.00 11.40 N ATOM 1160 CA GLN A 83 12.452 21.242 -4.793 1.00 61.23 C ATOM 1161 C GLN A 83 12.250 22.722 -5.101 1.00 33.24 C ATOM 1162 O GLN A 83 11.664 23.080 -6.122 1.00 30.35 O ATOM 1163 CB GLN A 83 13.904 20.846 -5.067 1.00 70.24 C ATOM 1164 CG GLN A 83 14.434 21.359 -6.396 1.00 42.52 C ATOM 1165 CD GLN A 83 15.879 20.968 -6.639 1.00 14.23 C ATOM 1166 OE1 GLN A 83 16.802 21.633 -6.167 1.00 34.22 O ATOM 1167 NE2 GLN A 83 16.082 19.884 -7.378 1.00 5.01 N ATOM 0 H GLN A 83 11.420 20.730 -6.546 1.00 11.40 H new ATOM 0 HA GLN A 83 12.229 21.075 -3.739 1.00 61.23 H new ATOM 0 HB2 GLN A 83 14.534 21.227 -4.263 1.00 70.24 H new ATOM 0 HB3 GLN A 83 13.985 19.759 -5.048 1.00 70.24 H new ATOM 0 HG2 GLN A 83 13.815 20.969 -7.204 1.00 42.52 H new ATOM 0 HG3 GLN A 83 14.346 22.445 -6.423 1.00 42.52 H new ATOM 0 HE21 GLN A 83 15.287 19.363 -7.749 1.00 5.01 H new ATOM 0 HE22 GLN A 83 17.033 19.572 -7.575 1.00 5.01 H new ATOM 1176 N GLY A 84 12.738 23.579 -4.209 1.00 23.30 N ATOM 1177 CA GLY A 84 12.600 25.010 -4.403 1.00 4.31 C ATOM 1178 C GLY A 84 13.868 25.767 -4.058 1.00 34.03 C ATOM 1179 O GLY A 84 14.853 25.174 -3.620 1.00 22.42 O ATOM 0 H GLY A 84 13.226 23.307 -3.356 1.00 23.30 H new ATOM 0 HA2 GLY A 84 12.333 25.209 -5.441 1.00 4.31 H new ATOM 0 HA3 GLY A 84 11.781 25.380 -3.787 1.00 4.31 H new ATOM 1183 N SER A 85 13.843 27.081 -4.257 1.00 23.04 N ATOM 1184 CA SER A 85 15.001 27.919 -3.968 1.00 41.35 C ATOM 1185 C SER A 85 14.566 29.287 -3.452 1.00 42.41 C ATOM 1186 O SER A 85 13.504 29.793 -3.815 1.00 74.03 O ATOM 1187 CB SER A 85 15.862 28.085 -5.222 1.00 60.13 C ATOM 1188 OG SER A 85 15.064 28.390 -6.352 1.00 54.25 O ATOM 0 H SER A 85 13.034 27.588 -4.617 1.00 23.04 H new ATOM 0 HA SER A 85 15.590 27.428 -3.193 1.00 41.35 H new ATOM 0 HB2 SER A 85 16.592 28.879 -5.063 1.00 60.13 H new ATOM 0 HB3 SER A 85 16.423 27.169 -5.406 1.00 60.13 H new ATOM 0 HG SER A 85 15.638 28.493 -7.140 1.00 54.25 H new ATOM 1194 N THR A 86 15.396 29.883 -2.601 1.00 40.01 N ATOM 1195 CA THR A 86 15.098 31.192 -2.033 1.00 25.43 C ATOM 1196 C THR A 86 16.370 32.009 -1.840 1.00 4.42 C ATOM 1197 O THR A 86 17.448 31.456 -1.622 1.00 4.11 O ATOM 1198 CB THR A 86 14.373 31.065 -0.680 1.00 21.22 C ATOM 1199 OG1 THR A 86 13.517 29.917 -0.689 1.00 15.31 O ATOM 1200 CG2 THR A 86 13.555 32.313 -0.386 1.00 35.35 C ATOM 0 H THR A 86 16.280 29.480 -2.290 1.00 40.01 H new ATOM 0 HA THR A 86 14.445 31.703 -2.740 1.00 25.43 H new ATOM 0 HB THR A 86 15.124 30.950 0.101 1.00 21.22 H new ATOM 0 HG1 THR A 86 13.061 29.842 0.175 1.00 15.31 H new ATOM 0 HG21 THR A 86 13.052 32.200 0.574 1.00 35.35 H new ATOM 0 HG22 THR A 86 14.214 33.180 -0.351 1.00 35.35 H new ATOM 0 HG23 THR A 86 12.812 32.454 -1.171 1.00 35.35 H new ATOM 1208 N ASP A 87 16.238 33.329 -1.921 1.00 33.34 N ATOM 1209 CA ASP A 87 17.377 34.223 -1.753 1.00 1.41 C ATOM 1210 C ASP A 87 17.136 35.202 -0.608 1.00 33.24 C ATOM 1211 O ASP A 87 16.129 35.910 -0.584 1.00 34.42 O ATOM 1212 CB ASP A 87 17.645 34.991 -3.048 1.00 52.23 C ATOM 1213 CG ASP A 87 18.696 36.070 -2.875 1.00 53.12 C ATOM 1214 OD1 ASP A 87 19.834 35.732 -2.488 1.00 13.42 O ATOM 1215 OD2 ASP A 87 18.380 37.252 -3.126 1.00 41.23 O ATOM 0 H ASP A 87 15.353 33.803 -2.102 1.00 33.34 H new ATOM 0 HA ASP A 87 18.250 33.617 -1.511 1.00 1.41 H new ATOM 0 HB2 ASP A 87 17.969 34.293 -3.820 1.00 52.23 H new ATOM 0 HB3 ASP A 87 16.717 35.444 -3.397 1.00 52.23 H new ATOM 1220 N PHE A 88 18.066 35.236 0.341 1.00 73.50 N ATOM 1221 CA PHE A 88 17.953 36.126 1.491 1.00 62.54 C ATOM 1222 C PHE A 88 19.217 36.965 1.654 1.00 12.12 C ATOM 1223 O PHE A 88 20.297 36.438 1.922 1.00 34.31 O ATOM 1224 CB PHE A 88 17.696 35.318 2.764 1.00 34.24 C ATOM 1225 CG PHE A 88 16.334 34.686 2.808 1.00 32.23 C ATOM 1226 CD1 PHE A 88 15.230 35.415 3.220 1.00 1.05 C ATOM 1227 CD2 PHE A 88 16.157 33.363 2.437 1.00 62.32 C ATOM 1228 CE1 PHE A 88 13.976 34.836 3.262 1.00 21.55 C ATOM 1229 CE2 PHE A 88 14.905 32.778 2.476 1.00 24.13 C ATOM 1230 CZ PHE A 88 13.813 33.516 2.889 1.00 63.22 C ATOM 0 H PHE A 88 18.906 34.658 0.336 1.00 73.50 H new ATOM 0 HA PHE A 88 17.112 36.797 1.319 1.00 62.54 H new ATOM 0 HB2 PHE A 88 18.453 34.538 2.849 1.00 34.24 H new ATOM 0 HB3 PHE A 88 17.813 35.971 3.629 1.00 34.24 H new ATOM 0 HD1 PHE A 88 15.351 36.448 3.512 1.00 1.05 H new ATOM 0 HD2 PHE A 88 17.008 32.781 2.113 1.00 62.32 H new ATOM 0 HE1 PHE A 88 13.124 35.415 3.586 1.00 21.55 H new ATOM 0 HE2 PHE A 88 14.781 31.746 2.184 1.00 24.13 H new ATOM 0 HZ PHE A 88 12.834 33.062 2.920 1.00 63.22 H new ATOM 1240 N LYS A 89 19.074 38.276 1.490 1.00 21.04 N ATOM 1241 CA LYS A 89 20.202 39.191 1.620 1.00 30.10 C ATOM 1242 C LYS A 89 20.208 39.856 2.993 1.00 41.03 C ATOM 1243 O LYS A 89 19.288 40.598 3.338 1.00 25.13 O ATOM 1244 CB LYS A 89 20.148 40.258 0.525 1.00 52.33 C ATOM 1245 CG LYS A 89 21.212 41.332 0.669 1.00 41.33 C ATOM 1246 CD LYS A 89 21.963 41.552 -0.634 1.00 31.40 C ATOM 1247 CE LYS A 89 22.089 43.031 -0.962 1.00 53.35 C ATOM 1248 NZ LYS A 89 23.472 43.391 -1.380 1.00 41.10 N ATOM 0 H LYS A 89 18.188 38.729 1.267 1.00 21.04 H new ATOM 0 HA LYS A 89 21.120 38.614 1.512 1.00 30.10 H new ATOM 0 HB2 LYS A 89 20.260 39.776 -0.446 1.00 52.33 H new ATOM 0 HB3 LYS A 89 19.165 40.729 0.536 1.00 52.33 H new ATOM 0 HG2 LYS A 89 20.747 42.266 0.984 1.00 41.33 H new ATOM 0 HG3 LYS A 89 21.915 41.046 1.451 1.00 41.33 H new ATOM 0 HD2 LYS A 89 22.956 41.108 -0.562 1.00 31.40 H new ATOM 0 HD3 LYS A 89 21.444 41.041 -1.445 1.00 31.40 H new ATOM 0 HE2 LYS A 89 21.391 43.287 -1.759 1.00 53.35 H new ATOM 0 HE3 LYS A 89 21.808 43.622 -0.090 1.00 53.35 H new ATOM 0 HZ1 LYS A 89 23.516 44.408 -1.595 1.00 41.10 H new ATOM 0 HZ2 LYS A 89 24.136 43.171 -0.610 1.00 41.10 H new ATOM 0 HZ3 LYS A 89 23.731 42.847 -2.227 1.00 41.10 H new ATOM 1262 N VAL A 90 21.251 39.587 3.771 1.00 23.42 N ATOM 1263 CA VAL A 90 21.378 40.161 5.105 1.00 3.23 C ATOM 1264 C VAL A 90 22.378 41.312 5.115 1.00 53.30 C ATOM 1265 O VAL A 90 23.518 41.164 4.675 1.00 24.50 O ATOM 1266 CB VAL A 90 21.821 39.102 6.132 1.00 4.45 C ATOM 1267 CG1 VAL A 90 23.117 38.440 5.691 1.00 24.33 C ATOM 1268 CG2 VAL A 90 21.975 39.729 7.510 1.00 4.01 C ATOM 0 H VAL A 90 22.021 38.975 3.500 1.00 23.42 H new ATOM 0 HA VAL A 90 20.393 40.536 5.383 1.00 3.23 H new ATOM 0 HB VAL A 90 21.050 38.333 6.191 1.00 4.45 H new ATOM 0 HG11 VAL A 90 23.414 37.695 6.429 1.00 24.33 H new ATOM 0 HG12 VAL A 90 22.968 37.956 4.726 1.00 24.33 H new ATOM 0 HG13 VAL A 90 23.899 39.194 5.602 1.00 24.33 H new ATOM 0 HG21 VAL A 90 22.288 38.967 8.224 1.00 4.01 H new ATOM 0 HG22 VAL A 90 22.726 40.518 7.469 1.00 4.01 H new ATOM 0 HG23 VAL A 90 21.021 40.152 7.826 1.00 4.01 H new ATOM 1278 N THR A 91 21.943 42.462 5.621 1.00 54.45 N ATOM 1279 CA THR A 91 22.798 43.640 5.687 1.00 4.35 C ATOM 1280 C THR A 91 23.298 43.877 7.108 1.00 22.30 C ATOM 1281 O THR A 91 22.883 43.192 8.043 1.00 44.31 O ATOM 1282 CB THR A 91 22.059 44.900 5.199 1.00 0.32 C ATOM 1283 OG1 THR A 91 20.909 44.527 4.432 1.00 11.12 O ATOM 1284 CG2 THR A 91 22.976 45.773 4.356 1.00 60.04 C ATOM 0 H THR A 91 21.003 42.602 5.991 1.00 54.45 H new ATOM 0 HA THR A 91 23.648 43.450 5.032 1.00 4.35 H new ATOM 0 HB THR A 91 21.743 45.470 6.073 1.00 0.32 H new ATOM 0 HG1 THR A 91 20.444 45.334 4.127 1.00 11.12 H new ATOM 0 HG21 THR A 91 22.432 46.657 4.023 1.00 60.04 H new ATOM 0 HG22 THR A 91 23.836 46.079 4.952 1.00 60.04 H new ATOM 0 HG23 THR A 91 23.319 45.209 3.488 1.00 60.04 H new ATOM 1292 N GLN A 92 24.190 44.850 7.262 1.00 24.32 N ATOM 1293 CA GLN A 92 24.746 45.175 8.570 1.00 3.52 C ATOM 1294 C GLN A 92 23.749 45.975 9.402 1.00 52.12 C ATOM 1295 O GLN A 92 23.593 47.182 9.212 1.00 1.14 O ATOM 1296 CB GLN A 92 26.046 45.966 8.413 1.00 65.22 C ATOM 1297 CG GLN A 92 26.903 45.984 9.668 1.00 24.32 C ATOM 1298 CD GLN A 92 28.017 47.010 9.600 1.00 65.52 C ATOM 1299 OE1 GLN A 92 28.612 47.228 8.544 1.00 64.50 O ATOM 1300 NE2 GLN A 92 28.306 47.647 10.729 1.00 62.44 N ATOM 0 H GLN A 92 24.543 45.426 6.498 1.00 24.32 H new ATOM 0 HA GLN A 92 24.958 44.240 9.089 1.00 3.52 H new ATOM 0 HB2 GLN A 92 26.625 45.539 7.594 1.00 65.22 H new ATOM 0 HB3 GLN A 92 25.806 46.992 8.132 1.00 65.22 H new ATOM 0 HG2 GLN A 92 26.272 46.195 10.531 1.00 24.32 H new ATOM 0 HG3 GLN A 92 27.334 44.995 9.823 1.00 24.32 H new ATOM 0 HE21 GLN A 92 27.787 47.435 11.581 1.00 62.44 H new ATOM 0 HE22 GLN A 92 29.047 48.348 10.744 1.00 62.44 H new TER 1309 GLN A 92