USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=29 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 67 THR OG1 : rot 159:sc= -1.31 USER MOD Set 1.2: A 69 ASN : amide:sc= -1.49 K(o=-2.8,f=-1.2) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.0282 X(o=0.028,f=0) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.208 (180deg=-1.77!) USER MOD Single : A 7 SER OG : rot 180:sc= -1.07 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.046 K(o=-0.046,f=-2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 52:sc= 0.604 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.04) USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= 0.361 (180deg=-0.182) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.345 USER MOD Single : A 34 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.46) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.06! C(o=-4.1!,f=-2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -150:sc= 0.142 USER MOD Single : A 42 GLN : amide:sc= -1.96 K(o=-2,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 130:sc= -0.0528 USER MOD Single : A 48 SER OG : rot 58:sc= 0.121 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 50 THR OG1 : rot -60:sc= -3.25! 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= -2.81 K(o=-2.8,f=-12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.123 USER MOD Single : A 62 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 72 ASN : amide:sc= -0.635 K(o=-0.63,f=-0.061) USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.19) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.823 USER MOD Single : A 83 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.034) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.973 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= -0.0785 X(o=-0.079,f=-0.00024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.111 -1.256 -2.726 1.00 30.52 N ATOM 2 CA MET A 1 0.628 0.088 -3.019 1.00 31.10 C ATOM 3 C MET A 1 1.372 1.127 -2.186 1.00 62.30 C ATOM 4 O MET A 1 0.814 1.747 -1.280 1.00 64.33 O ATOM 5 CB MET A 1 -0.875 0.183 -2.750 1.00 31.13 C ATOM 6 CG MET A 1 -1.731 -0.343 -3.890 1.00 72.12 C ATOM 7 SD MET A 1 -2.379 0.974 -4.938 1.00 4.15 S ATOM 8 CE MET A 1 -4.141 0.697 -4.780 1.00 31.03 C ATOM 0 H1 MET A 1 1.459 -1.698 -3.601 1.00 30.52 H new ATOM 0 H2 MET A 1 1.885 -1.203 -2.033 1.00 30.52 H new ATOM 0 H3 MET A 1 0.334 -1.826 -2.335 1.00 30.52 H new ATOM 0 HA MET A 1 0.815 0.292 -4.073 1.00 31.10 H new ATOM 0 HB2 MET A 1 -1.109 -0.375 -1.843 1.00 31.13 H new ATOM 0 HB3 MET A 1 -1.137 1.224 -2.560 1.00 31.13 H new ATOM 0 HG2 MET A 1 -1.139 -1.027 -4.498 1.00 72.12 H new ATOM 0 HG3 MET A 1 -2.562 -0.918 -3.480 1.00 72.12 H new ATOM 0 HE1 MET A 1 -4.680 1.435 -5.373 1.00 31.03 H new ATOM 0 HE2 MET A 1 -4.385 -0.304 -5.137 1.00 31.03 H new ATOM 0 HE3 MET A 1 -4.432 0.790 -3.734 1.00 31.03 H new ATOM 18 N PRO A 2 2.662 1.322 -2.497 1.00 41.42 N ATOM 19 CA PRO A 2 3.510 2.286 -1.789 1.00 11.00 C ATOM 20 C PRO A 2 3.118 3.730 -2.084 1.00 61.24 C ATOM 21 O PRO A 2 2.596 4.034 -3.156 1.00 54.12 O ATOM 22 CB PRO A 2 4.911 1.991 -2.330 1.00 70.22 C ATOM 23 CG PRO A 2 4.679 1.389 -3.673 1.00 23.40 C ATOM 24 CD PRO A 2 3.392 0.619 -3.565 1.00 22.51 C ATOM 0 HA PRO A 2 3.426 2.184 -0.707 1.00 11.00 H new ATOM 0 HB2 PRO A 2 5.507 2.901 -2.401 1.00 70.22 H new ATOM 0 HB3 PRO A 2 5.451 1.306 -1.677 1.00 70.22 H new ATOM 0 HG2 PRO A 2 4.609 2.161 -4.440 1.00 23.40 H new ATOM 0 HG3 PRO A 2 5.503 0.734 -3.955 1.00 23.40 H new ATOM 0 HD2 PRO A 2 2.838 0.629 -4.504 1.00 22.51 H new ATOM 0 HD3 PRO A 2 3.569 -0.426 -3.310 1.00 22.51 H new ATOM 32 N ALA A 3 3.374 4.615 -1.127 1.00 43.31 N ATOM 33 CA ALA A 3 3.050 6.028 -1.286 1.00 65.43 C ATOM 34 C ALA A 3 4.123 6.749 -2.096 1.00 33.21 C ATOM 35 O ALA A 3 5.260 6.891 -1.649 1.00 4.20 O ATOM 36 CB ALA A 3 2.881 6.687 0.074 1.00 21.25 C ATOM 0 H ALA A 3 3.805 4.379 -0.233 1.00 43.31 H new ATOM 0 HA ALA A 3 2.109 6.101 -1.832 1.00 65.43 H new ATOM 0 HB1 ALA A 3 2.639 7.741 -0.060 1.00 21.25 H new ATOM 0 HB2 ALA A 3 2.074 6.196 0.618 1.00 21.25 H new ATOM 0 HB3 ALA A 3 3.808 6.596 0.640 1.00 21.25 H new ATOM 42 N ALA A 4 3.752 7.201 -3.289 1.00 42.33 N ATOM 43 CA ALA A 4 4.682 7.909 -4.160 1.00 63.14 C ATOM 44 C ALA A 4 4.389 9.405 -4.177 1.00 12.20 C ATOM 45 O ALA A 4 3.280 9.827 -4.509 1.00 43.33 O ATOM 46 CB ALA A 4 4.620 7.341 -5.571 1.00 3.32 C ATOM 0 H ALA A 4 2.814 7.090 -3.675 1.00 42.33 H new ATOM 0 HA ALA A 4 5.689 7.767 -3.766 1.00 63.14 H new ATOM 0 HB1 ALA A 4 5.319 7.879 -6.211 1.00 3.32 H new ATOM 0 HB2 ALA A 4 4.887 6.284 -5.550 1.00 3.32 H new ATOM 0 HB3 ALA A 4 3.609 7.452 -5.964 1.00 3.32 H new ATOM 52 N LEU A 5 5.388 10.203 -3.816 1.00 54.20 N ATOM 53 CA LEU A 5 5.236 11.654 -3.789 1.00 23.12 C ATOM 54 C LEU A 5 4.763 12.178 -5.141 1.00 65.41 C ATOM 55 O LEU A 5 4.900 11.503 -6.162 1.00 41.41 O ATOM 56 CB LEU A 5 6.561 12.317 -3.407 1.00 13.42 C ATOM 57 CG LEU A 5 6.470 13.469 -2.405 1.00 50.44 C ATOM 58 CD1 LEU A 5 7.458 13.266 -1.267 1.00 42.44 C ATOM 59 CD2 LEU A 5 6.719 14.800 -3.100 1.00 2.43 C ATOM 0 H LEU A 5 6.311 9.870 -3.538 1.00 54.20 H new ATOM 0 HA LEU A 5 4.483 11.902 -3.041 1.00 23.12 H new ATOM 0 HB2 LEU A 5 7.221 11.554 -2.994 1.00 13.42 H new ATOM 0 HB3 LEU A 5 7.034 12.689 -4.316 1.00 13.42 H new ATOM 0 HG LEU A 5 5.464 13.483 -1.986 1.00 50.44 H new ATOM 0 HD11 LEU A 5 7.379 14.095 -0.564 1.00 42.44 H new ATOM 0 HD12 LEU A 5 7.233 12.332 -0.753 1.00 42.44 H new ATOM 0 HD13 LEU A 5 8.471 13.225 -1.667 1.00 42.44 H new ATOM 0 HD21 LEU A 5 6.650 15.609 -2.372 1.00 2.43 H new ATOM 0 HD22 LEU A 5 7.713 14.797 -3.547 1.00 2.43 H new ATOM 0 HD23 LEU A 5 5.972 14.949 -3.879 1.00 2.43 H new ATOM 71 N VAL A 6 4.208 13.385 -5.141 1.00 3.40 N ATOM 72 CA VAL A 6 3.718 14.002 -6.368 1.00 62.41 C ATOM 73 C VAL A 6 4.219 15.435 -6.501 1.00 13.51 C ATOM 74 O VAL A 6 4.906 15.777 -7.463 1.00 41.32 O ATOM 75 CB VAL A 6 2.179 14.000 -6.421 1.00 32.10 C ATOM 76 CG1 VAL A 6 1.687 14.692 -7.683 1.00 50.00 C ATOM 77 CG2 VAL A 6 1.645 12.578 -6.340 1.00 70.34 C ATOM 0 H VAL A 6 4.086 13.956 -4.304 1.00 3.40 H new ATOM 0 HA VAL A 6 4.103 13.408 -7.197 1.00 62.41 H new ATOM 0 HB VAL A 6 1.803 14.554 -5.561 1.00 32.10 H new ATOM 0 HG11 VAL A 6 0.597 14.681 -7.703 1.00 50.00 H new ATOM 0 HG12 VAL A 6 2.039 15.723 -7.693 1.00 50.00 H new ATOM 0 HG13 VAL A 6 2.071 14.168 -8.558 1.00 50.00 H new ATOM 0 HG21 VAL A 6 0.556 12.596 -6.379 1.00 70.34 H new ATOM 0 HG22 VAL A 6 2.029 11.997 -7.179 1.00 70.34 H new ATOM 0 HG23 VAL A 6 1.967 12.121 -5.404 1.00 70.34 H new ATOM 87 N SER A 7 3.870 16.271 -5.528 1.00 33.12 N ATOM 88 CA SER A 7 4.281 17.670 -5.537 1.00 72.12 C ATOM 89 C SER A 7 4.506 18.180 -4.117 1.00 31.51 C ATOM 90 O SER A 7 4.323 17.445 -3.146 1.00 32.30 O ATOM 91 CB SER A 7 3.226 18.529 -6.238 1.00 63.52 C ATOM 92 OG SER A 7 2.666 17.845 -7.346 1.00 43.10 O ATOM 0 H SER A 7 3.303 16.003 -4.723 1.00 33.12 H new ATOM 0 HA SER A 7 5.221 17.743 -6.084 1.00 72.12 H new ATOM 0 HB2 SER A 7 2.438 18.791 -5.532 1.00 63.52 H new ATOM 0 HB3 SER A 7 3.677 19.463 -6.573 1.00 63.52 H new ATOM 0 HG SER A 7 1.994 18.414 -7.776 1.00 43.10 H new ATOM 98 N ILE A 8 4.904 19.442 -4.004 1.00 40.24 N ATOM 99 CA ILE A 8 5.153 20.051 -2.704 1.00 3.13 C ATOM 100 C ILE A 8 4.761 21.525 -2.702 1.00 70.43 C ATOM 101 O ILE A 8 4.740 22.173 -3.749 1.00 34.15 O ATOM 102 CB ILE A 8 6.634 19.925 -2.298 1.00 15.15 C ATOM 103 CG1 ILE A 8 7.496 20.875 -3.131 1.00 63.32 C ATOM 104 CG2 ILE A 8 7.107 18.489 -2.461 1.00 63.33 C ATOM 105 CD1 ILE A 8 7.749 22.207 -2.461 1.00 21.01 C ATOM 0 H ILE A 8 5.061 20.063 -4.798 1.00 40.24 H new ATOM 0 HA ILE A 8 4.539 19.514 -1.981 1.00 3.13 H new ATOM 0 HB ILE A 8 6.733 20.202 -1.248 1.00 15.15 H new ATOM 0 HG12 ILE A 8 8.452 20.396 -3.340 1.00 63.32 H new ATOM 0 HG13 ILE A 8 7.009 21.047 -4.091 1.00 63.32 H new ATOM 0 HG21 ILE A 8 8.155 18.416 -2.170 1.00 63.33 H new ATOM 0 HG22 ILE A 8 6.508 17.835 -1.827 1.00 63.33 H new ATOM 0 HG23 ILE A 8 6.997 18.186 -3.502 1.00 63.33 H new ATOM 0 HD11 ILE A 8 8.367 22.829 -3.109 1.00 21.01 H new ATOM 0 HD12 ILE A 8 6.799 22.708 -2.276 1.00 21.01 H new ATOM 0 HD13 ILE A 8 8.264 22.046 -1.514 1.00 21.01 H new ATOM 117 N SER A 9 4.453 22.048 -1.520 1.00 53.21 N ATOM 118 CA SER A 9 4.059 23.445 -1.382 1.00 41.51 C ATOM 119 C SER A 9 5.043 24.202 -0.495 1.00 63.01 C ATOM 120 O SER A 9 5.086 23.999 0.718 1.00 13.44 O ATOM 121 CB SER A 9 2.648 23.545 -0.798 1.00 65.32 C ATOM 122 OG SER A 9 1.733 24.045 -1.758 1.00 24.14 O ATOM 0 H SER A 9 4.469 21.526 -0.644 1.00 53.21 H new ATOM 0 HA SER A 9 4.067 23.898 -2.373 1.00 41.51 H new ATOM 0 HB2 SER A 9 2.322 22.562 -0.457 1.00 65.32 H new ATOM 0 HB3 SER A 9 2.658 24.198 0.075 1.00 65.32 H new ATOM 0 HG SER A 9 0.839 24.098 -1.361 1.00 24.14 H new ATOM 128 N VAL A 10 5.834 25.075 -1.110 1.00 41.55 N ATOM 129 CA VAL A 10 6.818 25.864 -0.378 1.00 51.13 C ATOM 130 C VAL A 10 6.566 27.357 -0.553 1.00 55.43 C ATOM 131 O VAL A 10 6.288 27.825 -1.657 1.00 51.35 O ATOM 132 CB VAL A 10 8.252 25.540 -0.838 1.00 33.43 C ATOM 133 CG1 VAL A 10 8.721 24.225 -0.234 1.00 62.55 C ATOM 134 CG2 VAL A 10 8.327 25.496 -2.356 1.00 61.15 C ATOM 0 H VAL A 10 5.813 25.254 -2.114 1.00 41.55 H new ATOM 0 HA VAL A 10 6.714 25.602 0.675 1.00 51.13 H new ATOM 0 HB VAL A 10 8.916 26.331 -0.488 1.00 33.43 H new ATOM 0 HG11 VAL A 10 9.736 24.012 -0.570 1.00 62.55 H new ATOM 0 HG12 VAL A 10 8.706 24.298 0.853 1.00 62.55 H new ATOM 0 HG13 VAL A 10 8.057 23.421 -0.552 1.00 62.55 H new ATOM 0 HG21 VAL A 10 9.347 25.266 -2.663 1.00 61.15 H new ATOM 0 HG22 VAL A 10 7.653 24.726 -2.731 1.00 61.15 H new ATOM 0 HG23 VAL A 10 8.035 26.464 -2.763 1.00 61.15 H new ATOM 144 N SER A 11 6.664 28.101 0.544 1.00 45.22 N ATOM 145 CA SER A 11 6.444 29.542 0.513 1.00 53.32 C ATOM 146 C SER A 11 7.726 30.296 0.855 1.00 74.34 C ATOM 147 O SER A 11 7.836 30.944 1.895 1.00 1.23 O ATOM 148 CB SER A 11 5.334 29.931 1.492 1.00 71.25 C ATOM 149 OG SER A 11 4.101 29.333 1.129 1.00 65.15 O ATOM 0 H SER A 11 6.894 27.729 1.466 1.00 45.22 H new ATOM 0 HA SER A 11 6.141 29.816 -0.497 1.00 53.32 H new ATOM 0 HB2 SER A 11 5.609 29.621 2.500 1.00 71.25 H new ATOM 0 HB3 SER A 11 5.224 31.015 1.510 1.00 71.25 H new ATOM 0 HG SER A 11 3.409 29.596 1.771 1.00 65.15 H new ATOM 155 N PRO A 12 8.719 30.209 -0.043 1.00 11.15 N ATOM 156 CA PRO A 12 10.011 30.876 0.141 1.00 44.14 C ATOM 157 C PRO A 12 9.903 32.392 0.020 1.00 3.44 C ATOM 158 O PRO A 12 8.992 32.912 -0.625 1.00 63.44 O ATOM 159 CB PRO A 12 10.867 30.309 -0.995 1.00 1.30 C ATOM 160 CG PRO A 12 9.887 29.905 -2.042 1.00 25.42 C ATOM 161 CD PRO A 12 8.657 29.454 -1.305 1.00 33.40 C ATOM 0 HA PRO A 12 10.424 30.699 1.134 1.00 44.14 H new ATOM 0 HB2 PRO A 12 11.566 31.054 -1.374 1.00 1.30 H new ATOM 0 HB3 PRO A 12 11.459 29.458 -0.658 1.00 1.30 H new ATOM 0 HG2 PRO A 12 9.660 30.739 -2.707 1.00 25.42 H new ATOM 0 HG3 PRO A 12 10.287 29.103 -2.662 1.00 25.42 H new ATOM 0 HD2 PRO A 12 7.749 29.679 -1.864 1.00 33.40 H new ATOM 0 HD3 PRO A 12 8.665 28.378 -1.130 1.00 33.40 H new ATOM 169 N THR A 13 10.839 33.099 0.646 1.00 4.41 N ATOM 170 CA THR A 13 10.849 34.556 0.610 1.00 51.32 C ATOM 171 C THR A 13 12.098 35.081 -0.089 1.00 72.35 C ATOM 172 O THR A 13 13.211 34.931 0.413 1.00 73.34 O ATOM 173 CB THR A 13 10.779 35.154 2.028 1.00 51.13 C ATOM 174 OG1 THR A 13 9.578 34.728 2.680 1.00 32.13 O ATOM 175 CG2 THR A 13 10.823 36.674 1.977 1.00 73.11 C ATOM 0 H THR A 13 11.600 32.685 1.184 1.00 4.41 H new ATOM 0 HA THR A 13 9.966 34.864 0.050 1.00 51.32 H new ATOM 0 HB THR A 13 11.643 34.800 2.591 1.00 51.13 H new ATOM 0 HG1 THR A 13 9.542 35.111 3.581 1.00 32.13 H new ATOM 0 HG21 THR A 13 10.772 37.074 2.990 1.00 73.11 H new ATOM 0 HG22 THR A 13 11.752 36.996 1.506 1.00 73.11 H new ATOM 0 HG23 THR A 13 9.976 37.043 1.398 1.00 73.11 H new ATOM 183 N ASN A 14 11.905 35.697 -1.251 1.00 42.12 N ATOM 184 CA ASN A 14 13.017 36.244 -2.020 1.00 3.34 C ATOM 185 C ASN A 14 13.181 37.737 -1.752 1.00 11.40 C ATOM 186 O ASN A 14 13.118 38.554 -2.671 1.00 62.21 O ATOM 187 CB ASN A 14 12.799 36.004 -3.515 1.00 34.23 C ATOM 188 CG ASN A 14 12.975 34.547 -3.898 1.00 3.21 C ATOM 189 OD1 ASN A 14 12.615 33.646 -3.140 1.00 41.31 O ATOM 190 ND2 ASN A 14 13.533 34.310 -5.080 1.00 32.14 N ATOM 0 H ASN A 14 10.989 35.830 -1.680 1.00 42.12 H new ATOM 0 HA ASN A 14 13.928 35.734 -1.707 1.00 3.34 H new ATOM 0 HB2 ASN A 14 11.796 36.331 -3.790 1.00 34.23 H new ATOM 0 HB3 ASN A 14 13.500 36.614 -4.084 1.00 34.23 H new ATOM 0 HD21 ASN A 14 13.678 33.350 -5.392 1.00 32.14 H new ATOM 0 HD22 ASN A 14 13.816 35.088 -5.676 1.00 32.14 H new ATOM 197 N SER A 15 13.392 38.087 -0.487 1.00 34.31 N ATOM 198 CA SER A 15 13.561 39.482 -0.097 1.00 62.51 C ATOM 199 C SER A 15 14.859 39.674 0.681 1.00 2.12 C ATOM 200 O SER A 15 15.701 38.777 0.741 1.00 33.13 O ATOM 201 CB SER A 15 12.373 39.945 0.748 1.00 40.00 C ATOM 202 OG SER A 15 12.483 39.478 2.081 1.00 13.35 O ATOM 0 H SER A 15 13.450 37.423 0.285 1.00 34.31 H new ATOM 0 HA SER A 15 13.609 40.084 -1.004 1.00 62.51 H new ATOM 0 HB2 SER A 15 12.322 41.034 0.744 1.00 40.00 H new ATOM 0 HB3 SER A 15 11.445 39.581 0.307 1.00 40.00 H new ATOM 0 HG SER A 15 11.713 39.789 2.601 1.00 13.35 H new ATOM 208 N THR A 16 15.015 40.852 1.277 1.00 5.30 N ATOM 209 CA THR A 16 16.210 41.165 2.051 1.00 43.03 C ATOM 210 C THR A 16 15.902 41.213 3.543 1.00 61.11 C ATOM 211 O THR A 16 14.753 41.399 3.944 1.00 3.31 O ATOM 212 CB THR A 16 16.821 42.512 1.621 1.00 64.02 C ATOM 213 OG1 THR A 16 17.833 42.910 2.552 1.00 4.43 O ATOM 214 CG2 THR A 16 15.751 43.589 1.536 1.00 51.43 C ATOM 0 H THR A 16 14.328 41.605 1.238 1.00 5.30 H new ATOM 0 HA THR A 16 16.929 40.369 1.857 1.00 43.03 H new ATOM 0 HB THR A 16 17.266 42.386 0.634 1.00 64.02 H new ATOM 0 HG1 THR A 16 18.467 42.174 2.680 1.00 4.43 H new ATOM 0 HG21 THR A 16 16.206 44.531 1.231 1.00 51.43 H new ATOM 0 HG22 THR A 16 14.997 43.296 0.805 1.00 51.43 H new ATOM 0 HG23 THR A 16 15.281 43.713 2.512 1.00 51.43 H new ATOM 222 N VAL A 17 16.936 41.044 4.362 1.00 53.24 N ATOM 223 CA VAL A 17 16.775 41.070 5.811 1.00 43.14 C ATOM 224 C VAL A 17 17.843 41.939 6.466 1.00 14.21 C ATOM 225 O VAL A 17 18.922 42.139 5.911 1.00 64.34 O ATOM 226 CB VAL A 17 16.845 39.652 6.408 1.00 11.44 C ATOM 227 CG1 VAL A 17 15.809 38.748 5.759 1.00 33.53 C ATOM 228 CG2 VAL A 17 18.243 39.075 6.249 1.00 43.41 C ATOM 0 H VAL A 17 17.893 40.888 4.047 1.00 53.24 H new ATOM 0 HA VAL A 17 15.791 41.493 6.014 1.00 43.14 H new ATOM 0 HB VAL A 17 16.622 39.714 7.473 1.00 11.44 H new ATOM 0 HG11 VAL A 17 15.873 37.750 6.193 1.00 33.53 H new ATOM 0 HG12 VAL A 17 14.812 39.155 5.931 1.00 33.53 H new ATOM 0 HG13 VAL A 17 15.997 38.690 4.687 1.00 33.53 H new ATOM 0 HG21 VAL A 17 18.274 38.073 6.676 1.00 43.41 H new ATOM 0 HG22 VAL A 17 18.498 39.026 5.190 1.00 43.41 H new ATOM 0 HG23 VAL A 17 18.961 39.712 6.766 1.00 43.41 H new ATOM 238 N ALA A 18 17.533 42.454 7.652 1.00 71.33 N ATOM 239 CA ALA A 18 18.466 43.300 8.385 1.00 65.41 C ATOM 240 C ALA A 18 19.549 42.465 9.061 1.00 71.10 C ATOM 241 O ALA A 18 19.406 41.252 9.216 1.00 21.12 O ATOM 242 CB ALA A 18 17.723 44.137 9.415 1.00 52.24 C ATOM 0 H ALA A 18 16.643 42.300 8.125 1.00 71.33 H new ATOM 0 HA ALA A 18 18.950 43.967 7.672 1.00 65.41 H new ATOM 0 HB1 ALA A 18 18.433 44.764 9.955 1.00 52.24 H new ATOM 0 HB2 ALA A 18 16.991 44.768 8.911 1.00 52.24 H new ATOM 0 HB3 ALA A 18 17.212 43.479 10.118 1.00 52.24 H new ATOM 248 N LYS A 19 20.632 43.122 9.461 1.00 23.22 N ATOM 249 CA LYS A 19 21.740 42.441 10.122 1.00 51.25 C ATOM 250 C LYS A 19 21.241 41.599 11.291 1.00 2.15 C ATOM 251 O LYS A 19 20.600 42.111 12.208 1.00 22.34 O ATOM 252 CB LYS A 19 22.770 43.460 10.615 1.00 31.21 C ATOM 253 CG LYS A 19 24.080 43.420 9.848 1.00 25.15 C ATOM 254 CD LYS A 19 24.874 42.163 10.166 1.00 51.44 C ATOM 255 CE LYS A 19 26.304 42.493 10.564 1.00 2.25 C ATOM 256 NZ LYS A 19 26.490 42.459 12.042 1.00 61.54 N ATOM 0 H LYS A 19 20.767 44.126 9.339 1.00 23.22 H new ATOM 0 HA LYS A 19 22.212 41.779 9.396 1.00 51.25 H new ATOM 0 HB2 LYS A 19 22.344 44.461 10.539 1.00 31.21 H new ATOM 0 HB3 LYS A 19 22.971 43.279 11.671 1.00 31.21 H new ATOM 0 HG2 LYS A 19 23.878 43.463 8.778 1.00 25.15 H new ATOM 0 HG3 LYS A 19 24.675 44.299 10.095 1.00 25.15 H new ATOM 0 HD2 LYS A 19 24.387 41.618 10.975 1.00 51.44 H new ATOM 0 HD3 LYS A 19 24.880 41.505 9.297 1.00 51.44 H new ATOM 0 HE2 LYS A 19 26.985 41.782 10.096 1.00 2.25 H new ATOM 0 HE3 LYS A 19 26.567 43.481 10.187 1.00 2.25 H new ATOM 0 HZ1 LYS A 19 27.478 42.689 12.273 1.00 61.54 H new ATOM 0 HZ2 LYS A 19 25.859 43.155 12.487 1.00 61.54 H new ATOM 0 HZ3 LYS A 19 26.264 41.509 12.399 1.00 61.54 H new ATOM 270 N GLY A 20 21.541 40.304 11.253 1.00 4.34 N ATOM 271 CA GLY A 20 21.117 39.413 12.317 1.00 72.32 C ATOM 272 C GLY A 20 19.609 39.273 12.389 1.00 61.12 C ATOM 273 O GLY A 20 18.915 40.182 12.846 1.00 71.02 O ATOM 0 H GLY A 20 22.070 39.856 10.504 1.00 4.34 H new ATOM 0 HA2 GLY A 20 21.563 38.430 12.163 1.00 72.32 H new ATOM 0 HA3 GLY A 20 21.490 39.787 13.270 1.00 72.32 H new ATOM 277 N LEU A 21 19.100 38.133 11.935 1.00 21.24 N ATOM 278 CA LEU A 21 17.664 37.877 11.949 1.00 51.23 C ATOM 279 C LEU A 21 17.371 36.401 11.698 1.00 1.42 C ATOM 280 O LEU A 21 18.287 35.598 11.528 1.00 64.22 O ATOM 281 CB LEU A 21 16.964 38.734 10.893 1.00 53.33 C ATOM 282 CG LEU A 21 15.694 39.454 11.347 1.00 14.41 C ATOM 283 CD1 LEU A 21 16.029 40.832 11.896 1.00 12.43 C ATOM 284 CD2 LEU A 21 14.702 39.563 10.198 1.00 70.00 C ATOM 0 H LEU A 21 19.660 37.371 11.553 1.00 21.24 H new ATOM 0 HA LEU A 21 17.282 38.141 12.935 1.00 51.23 H new ATOM 0 HB2 LEU A 21 17.672 39.481 10.532 1.00 53.33 H new ATOM 0 HB3 LEU A 21 16.713 38.097 10.045 1.00 53.33 H new ATOM 0 HG LEU A 21 15.234 38.870 12.144 1.00 14.41 H new ATOM 0 HD11 LEU A 21 15.113 41.329 12.214 1.00 12.43 H new ATOM 0 HD12 LEU A 21 16.701 40.731 12.748 1.00 12.43 H new ATOM 0 HD13 LEU A 21 16.513 41.425 11.120 1.00 12.43 H new ATOM 0 HD21 LEU A 21 13.804 40.078 10.540 1.00 70.00 H new ATOM 0 HD22 LEU A 21 15.153 40.124 9.380 1.00 70.00 H new ATOM 0 HD23 LEU A 21 14.437 38.565 9.850 1.00 70.00 H new ATOM 296 N GLN A 22 16.089 36.054 11.675 1.00 35.52 N ATOM 297 CA GLN A 22 15.676 34.674 11.444 1.00 53.43 C ATOM 298 C GLN A 22 14.489 34.615 10.487 1.00 65.41 C ATOM 299 O GLN A 22 13.689 35.547 10.418 1.00 61.45 O ATOM 300 CB GLN A 22 15.313 33.999 12.767 1.00 11.35 C ATOM 301 CG GLN A 22 16.517 33.472 13.531 1.00 34.52 C ATOM 302 CD GLN A 22 16.876 34.336 14.724 1.00 72.32 C ATOM 303 OE1 GLN A 22 16.173 34.342 15.735 1.00 54.44 O ATOM 304 NE2 GLN A 22 17.976 35.071 14.612 1.00 11.15 N ATOM 0 H GLN A 22 15.319 36.708 11.813 1.00 35.52 H new ATOM 0 HA GLN A 22 16.513 34.142 10.991 1.00 53.43 H new ATOM 0 HB2 GLN A 22 14.779 34.712 13.395 1.00 11.35 H new ATOM 0 HB3 GLN A 22 14.629 33.174 12.569 1.00 11.35 H new ATOM 0 HG2 GLN A 22 16.311 32.457 13.871 1.00 34.52 H new ATOM 0 HG3 GLN A 22 17.373 33.415 12.858 1.00 34.52 H new ATOM 0 HE21 GLN A 22 18.529 35.035 13.755 1.00 11.15 H new ATOM 0 HE22 GLN A 22 18.269 35.672 15.383 1.00 11.15 H new ATOM 313 N GLU A 23 14.384 33.512 9.751 1.00 13.32 N ATOM 314 CA GLU A 23 13.295 33.333 8.798 1.00 63.34 C ATOM 315 C GLU A 23 12.690 31.937 8.920 1.00 52.34 C ATOM 316 O GLU A 23 13.391 30.933 8.808 1.00 4.01 O ATOM 317 CB GLU A 23 13.796 33.560 7.370 1.00 51.43 C ATOM 318 CG GLU A 23 12.679 33.725 6.352 1.00 4.24 C ATOM 319 CD GLU A 23 12.555 35.150 5.848 1.00 22.21 C ATOM 320 OE1 GLU A 23 12.123 36.021 6.631 1.00 41.41 O ATOM 321 OE2 GLU A 23 12.891 35.393 4.670 1.00 73.32 O ATOM 0 H GLU A 23 15.038 32.731 9.797 1.00 13.32 H new ATOM 0 HA GLU A 23 12.522 34.067 9.026 1.00 63.34 H new ATOM 0 HB2 GLU A 23 14.427 34.449 7.352 1.00 51.43 H new ATOM 0 HB3 GLU A 23 14.423 32.718 7.076 1.00 51.43 H new ATOM 0 HG2 GLU A 23 12.860 33.060 5.508 1.00 4.24 H new ATOM 0 HG3 GLU A 23 11.734 33.419 6.802 1.00 4.24 H new ATOM 328 N ASN A 24 11.382 31.884 9.150 1.00 51.30 N ATOM 329 CA ASN A 24 10.681 30.613 9.289 1.00 62.25 C ATOM 330 C ASN A 24 10.341 30.028 7.921 1.00 33.53 C ATOM 331 O ASN A 24 9.948 30.750 7.005 1.00 42.10 O ATOM 332 CB ASN A 24 9.403 30.798 10.109 1.00 22.21 C ATOM 333 CG ASN A 24 9.563 31.837 11.202 1.00 40.33 C ATOM 334 OD1 ASN A 24 8.924 32.889 11.171 1.00 1.14 O ATOM 335 ND2 ASN A 24 10.420 31.547 12.174 1.00 75.50 N ATOM 0 H ASN A 24 10.786 32.707 9.244 1.00 51.30 H new ATOM 0 HA ASN A 24 11.340 29.918 9.809 1.00 62.25 H new ATOM 0 HB2 ASN A 24 8.589 31.094 9.447 1.00 22.21 H new ATOM 0 HB3 ASN A 24 9.120 29.845 10.556 1.00 22.21 H new ATOM 0 HD21 ASN A 24 10.570 32.209 12.936 1.00 75.50 H new ATOM 0 HD22 ASN A 24 10.928 30.663 12.159 1.00 75.50 H new ATOM 342 N PHE A 25 10.493 28.714 7.792 1.00 62.24 N ATOM 343 CA PHE A 25 10.202 28.031 6.536 1.00 24.34 C ATOM 344 C PHE A 25 9.268 26.846 6.766 1.00 41.34 C ATOM 345 O PHE A 25 9.333 26.180 7.799 1.00 62.22 O ATOM 346 CB PHE A 25 11.499 27.552 5.879 1.00 12.43 C ATOM 347 CG PHE A 25 12.158 28.596 5.024 1.00 52.41 C ATOM 348 CD1 PHE A 25 11.807 28.742 3.691 1.00 22.34 C ATOM 349 CD2 PHE A 25 13.128 29.432 5.552 1.00 5.23 C ATOM 350 CE1 PHE A 25 12.411 29.702 2.901 1.00 24.45 C ATOM 351 CE2 PHE A 25 13.736 30.394 4.768 1.00 52.15 C ATOM 352 CZ PHE A 25 13.378 30.528 3.440 1.00 12.22 C ATOM 0 H PHE A 25 10.816 28.101 8.541 1.00 62.24 H new ATOM 0 HA PHE A 25 9.706 28.739 5.872 1.00 24.34 H new ATOM 0 HB2 PHE A 25 12.196 27.237 6.656 1.00 12.43 H new ATOM 0 HB3 PHE A 25 11.285 26.675 5.268 1.00 12.43 H new ATOM 0 HD1 PHE A 25 11.052 28.098 3.264 1.00 22.34 H new ATOM 0 HD2 PHE A 25 13.413 29.331 6.589 1.00 5.23 H new ATOM 0 HE1 PHE A 25 12.127 29.806 1.864 1.00 24.45 H new ATOM 0 HE2 PHE A 25 14.490 31.040 5.193 1.00 52.15 H new ATOM 0 HZ PHE A 25 13.854 31.277 2.825 1.00 12.22 H new ATOM 362 N LYS A 26 8.398 26.590 5.795 1.00 41.25 N ATOM 363 CA LYS A 26 7.450 25.487 5.888 1.00 72.54 C ATOM 364 C LYS A 26 7.215 24.854 4.520 1.00 40.14 C ATOM 365 O LYS A 26 7.006 25.554 3.529 1.00 1.34 O ATOM 366 CB LYS A 26 6.122 25.976 6.470 1.00 72.13 C ATOM 367 CG LYS A 26 5.814 25.407 7.844 1.00 12.41 C ATOM 368 CD LYS A 26 4.594 24.502 7.813 1.00 54.44 C ATOM 369 CE LYS A 26 4.989 23.037 7.713 1.00 52.15 C ATOM 370 NZ LYS A 26 4.686 22.471 6.369 1.00 42.54 N ATOM 0 H LYS A 26 8.330 27.132 4.934 1.00 41.25 H new ATOM 0 HA LYS A 26 7.874 24.732 6.550 1.00 72.54 H new ATOM 0 HB2 LYS A 26 6.141 27.064 6.532 1.00 72.13 H new ATOM 0 HB3 LYS A 26 5.316 25.710 5.787 1.00 72.13 H new ATOM 0 HG2 LYS A 26 6.675 24.846 8.208 1.00 12.41 H new ATOM 0 HG3 LYS A 26 5.645 26.223 8.547 1.00 12.41 H new ATOM 0 HD2 LYS A 26 4.000 24.659 8.713 1.00 54.44 H new ATOM 0 HD3 LYS A 26 3.963 24.769 6.965 1.00 54.44 H new ATOM 0 HE2 LYS A 26 6.054 22.933 7.919 1.00 52.15 H new ATOM 0 HE3 LYS A 26 4.460 22.465 8.475 1.00 52.15 H new ATOM 0 HZ1 LYS A 26 5.503 21.924 6.030 1.00 42.54 H new ATOM 0 HZ2 LYS A 26 3.856 21.848 6.434 1.00 42.54 H new ATOM 0 HZ3 LYS A 26 4.487 23.245 5.703 1.00 42.54 H new ATOM 384 N ALA A 27 7.249 23.526 4.473 1.00 45.43 N ATOM 385 CA ALA A 27 7.037 22.800 3.227 1.00 51.21 C ATOM 386 C ALA A 27 6.071 21.638 3.427 1.00 33.52 C ATOM 387 O ALA A 27 6.181 20.884 4.395 1.00 64.54 O ATOM 388 CB ALA A 27 8.363 22.298 2.676 1.00 61.11 C ATOM 0 H ALA A 27 7.421 22.931 5.284 1.00 45.43 H new ATOM 0 HA ALA A 27 6.594 23.487 2.506 1.00 51.21 H new ATOM 0 HB1 ALA A 27 8.189 21.758 1.745 1.00 61.11 H new ATOM 0 HB2 ALA A 27 9.022 23.145 2.486 1.00 61.11 H new ATOM 0 HB3 ALA A 27 8.829 21.631 3.401 1.00 61.11 H new ATOM 394 N THR A 28 5.122 21.497 2.507 1.00 55.42 N ATOM 395 CA THR A 28 4.135 20.428 2.583 1.00 34.25 C ATOM 396 C THR A 28 4.306 19.438 1.437 1.00 43.01 C ATOM 397 O THR A 28 4.305 19.821 0.268 1.00 43.12 O ATOM 398 CB THR A 28 2.699 20.985 2.555 1.00 51.11 C ATOM 399 OG1 THR A 28 2.710 22.383 2.864 1.00 12.23 O ATOM 400 CG2 THR A 28 1.812 20.248 3.547 1.00 23.22 C ATOM 0 H THR A 28 5.016 22.111 1.699 1.00 55.42 H new ATOM 0 HA THR A 28 4.299 19.915 3.530 1.00 34.25 H new ATOM 0 HB THR A 28 2.296 20.838 1.553 1.00 51.11 H new ATOM 0 HG1 THR A 28 1.794 22.730 2.842 1.00 12.23 H new ATOM 0 HG21 THR A 28 0.803 20.659 3.509 1.00 23.22 H new ATOM 0 HG22 THR A 28 1.782 19.189 3.291 1.00 23.22 H new ATOM 0 HG23 THR A 28 2.214 20.367 4.553 1.00 23.22 H new ATOM 408 N GLY A 29 4.453 18.162 1.780 1.00 61.33 N ATOM 409 CA GLY A 29 4.623 17.136 0.767 1.00 42.42 C ATOM 410 C GLY A 29 3.305 16.533 0.326 1.00 74.24 C ATOM 411 O GLY A 29 2.399 16.342 1.138 1.00 24.52 O ATOM 0 H GLY A 29 4.457 17.820 2.741 1.00 61.33 H new ATOM 0 HA2 GLY A 29 5.131 17.564 -0.098 1.00 42.42 H new ATOM 0 HA3 GLY A 29 5.267 16.348 1.157 1.00 42.42 H new ATOM 415 N ILE A 30 3.195 16.234 -0.964 1.00 73.13 N ATOM 416 CA ILE A 30 1.977 15.649 -1.511 1.00 53.34 C ATOM 417 C ILE A 30 2.235 14.247 -2.053 1.00 11.32 C ATOM 418 O ILE A 30 3.292 13.975 -2.622 1.00 71.13 O ATOM 419 CB ILE A 30 1.390 16.522 -2.637 1.00 33.24 C ATOM 420 CG1 ILE A 30 0.947 17.877 -2.082 1.00 54.32 C ATOM 421 CG2 ILE A 30 0.223 15.810 -3.305 1.00 61.20 C ATOM 422 CD1 ILE A 30 2.037 18.925 -2.105 1.00 42.33 C ATOM 0 H ILE A 30 3.934 16.387 -1.650 1.00 73.13 H new ATOM 0 HA ILE A 30 1.259 15.593 -0.693 1.00 53.34 H new ATOM 0 HB ILE A 30 2.163 16.692 -3.386 1.00 33.24 H new ATOM 0 HG12 ILE A 30 0.096 18.237 -2.660 1.00 54.32 H new ATOM 0 HG13 ILE A 30 0.602 17.745 -1.056 1.00 54.32 H new ATOM 0 HG21 ILE A 30 -0.181 16.439 -4.098 1.00 61.20 H new ATOM 0 HG22 ILE A 30 0.567 14.867 -3.730 1.00 61.20 H new ATOM 0 HG23 ILE A 30 -0.554 15.613 -2.566 1.00 61.20 H new ATOM 0 HD11 ILE A 30 1.652 19.860 -1.697 1.00 42.33 H new ATOM 0 HD12 ILE A 30 2.880 18.586 -1.503 1.00 42.33 H new ATOM 0 HD13 ILE A 30 2.366 19.085 -3.132 1.00 42.33 H new ATOM 434 N PHE A 31 1.261 13.361 -1.873 1.00 23.13 N ATOM 435 CA PHE A 31 1.382 11.986 -2.344 1.00 3.12 C ATOM 436 C PHE A 31 0.305 11.669 -3.377 1.00 63.50 C ATOM 437 O PHE A 31 -0.745 12.311 -3.415 1.00 20.45 O ATOM 438 CB PHE A 31 1.281 11.011 -1.169 1.00 2.21 C ATOM 439 CG PHE A 31 2.549 10.899 -0.372 1.00 4.41 C ATOM 440 CD1 PHE A 31 3.628 10.178 -0.859 1.00 13.13 C ATOM 441 CD2 PHE A 31 2.663 11.516 0.864 1.00 65.14 C ATOM 442 CE1 PHE A 31 4.795 10.073 -0.127 1.00 24.01 C ATOM 443 CE2 PHE A 31 3.829 11.415 1.600 1.00 70.32 C ATOM 444 CZ PHE A 31 4.897 10.693 1.103 1.00 13.12 C ATOM 0 H PHE A 31 0.379 13.570 -1.405 1.00 23.13 H new ATOM 0 HA PHE A 31 2.358 11.874 -2.816 1.00 3.12 H new ATOM 0 HB2 PHE A 31 0.474 11.331 -0.510 1.00 2.21 H new ATOM 0 HB3 PHE A 31 1.011 10.025 -1.548 1.00 2.21 H new ATOM 0 HD1 PHE A 31 3.556 9.693 -1.821 1.00 13.13 H new ATOM 0 HD2 PHE A 31 1.831 12.082 1.257 1.00 65.14 H new ATOM 0 HE1 PHE A 31 5.628 9.506 -0.517 1.00 24.01 H new ATOM 0 HE2 PHE A 31 3.905 11.900 2.562 1.00 70.32 H new ATOM 0 HZ PHE A 31 5.810 10.614 1.675 1.00 13.12 H new ATOM 454 N THR A 32 0.574 10.673 -4.216 1.00 34.40 N ATOM 455 CA THR A 32 -0.370 10.270 -5.251 1.00 31.10 C ATOM 456 C THR A 32 -1.614 9.632 -4.643 1.00 21.01 C ATOM 457 O THR A 32 -2.616 9.428 -5.328 1.00 33.32 O ATOM 458 CB THR A 32 0.270 9.278 -6.240 1.00 65.11 C ATOM 459 OG1 THR A 32 -0.662 8.947 -7.275 1.00 41.54 O ATOM 460 CG2 THR A 32 0.712 8.010 -5.525 1.00 4.00 C ATOM 0 H THR A 32 1.438 10.131 -4.199 1.00 34.40 H new ATOM 0 HA THR A 32 -0.655 11.175 -5.788 1.00 31.10 H new ATOM 0 HB THR A 32 1.147 9.753 -6.680 1.00 65.11 H new ATOM 0 HG1 THR A 32 -1.573 8.964 -6.913 1.00 41.54 H new ATOM 0 HG21 THR A 32 1.161 7.325 -6.244 1.00 4.00 H new ATOM 0 HG22 THR A 32 1.444 8.261 -4.757 1.00 4.00 H new ATOM 0 HG23 THR A 32 -0.152 7.534 -5.061 1.00 4.00 H new ATOM 468 N ASP A 33 -1.543 9.320 -3.354 1.00 3.04 N ATOM 469 CA ASP A 33 -2.665 8.706 -2.652 1.00 44.44 C ATOM 470 C ASP A 33 -3.632 9.769 -2.141 1.00 33.03 C ATOM 471 O ASP A 33 -4.492 9.489 -1.307 1.00 13.12 O ATOM 472 CB ASP A 33 -2.160 7.854 -1.487 1.00 15.23 C ATOM 473 CG ASP A 33 -1.160 8.593 -0.619 1.00 53.14 C ATOM 474 OD1 ASP A 33 -1.280 9.830 -0.497 1.00 52.44 O ATOM 475 OD2 ASP A 33 -0.258 7.934 -0.062 1.00 51.00 O ATOM 0 H ASP A 33 -0.720 9.482 -2.773 1.00 3.04 H new ATOM 0 HA ASP A 33 -3.197 8.065 -3.356 1.00 44.44 H new ATOM 0 HB2 ASP A 33 -3.007 7.542 -0.875 1.00 15.23 H new ATOM 0 HB3 ASP A 33 -1.698 6.948 -1.878 1.00 15.23 H new ATOM 480 N ASN A 34 -3.484 10.989 -2.646 1.00 13.41 N ATOM 481 CA ASN A 34 -4.344 12.095 -2.239 1.00 32.44 C ATOM 482 C ASN A 34 -4.144 12.425 -0.763 1.00 23.54 C ATOM 483 O ASN A 34 -4.951 13.130 -0.158 1.00 54.04 O ATOM 484 CB ASN A 34 -5.812 11.750 -2.501 1.00 24.11 C ATOM 485 CG ASN A 34 -5.994 10.915 -3.754 1.00 14.03 C ATOM 486 OD1 ASN A 34 -5.441 11.228 -4.808 1.00 25.33 O ATOM 487 ND2 ASN A 34 -6.775 9.846 -3.644 1.00 2.25 N ATOM 0 H ASN A 34 -2.777 11.237 -3.338 1.00 13.41 H new ATOM 0 HA ASN A 34 -4.072 12.970 -2.829 1.00 32.44 H new ATOM 0 HB2 ASN A 34 -6.214 11.208 -1.645 1.00 24.11 H new ATOM 0 HB3 ASN A 34 -6.388 12.671 -2.594 1.00 24.11 H new ATOM 0 HD21 ASN A 34 -6.936 9.247 -4.453 1.00 2.25 H new ATOM 0 HD22 ASN A 34 -7.213 9.624 -2.750 1.00 2.25 H new ATOM 494 N SER A 35 -3.061 11.909 -0.189 1.00 11.55 N ATOM 495 CA SER A 35 -2.755 12.146 1.217 1.00 15.45 C ATOM 496 C SER A 35 -1.539 13.056 1.363 1.00 31.33 C ATOM 497 O SER A 35 -0.403 12.628 1.164 1.00 32.52 O ATOM 498 CB SER A 35 -2.504 10.820 1.937 1.00 20.11 C ATOM 499 OG SER A 35 -2.933 10.882 3.286 1.00 2.43 O ATOM 0 H SER A 35 -2.381 11.325 -0.676 1.00 11.55 H new ATOM 0 HA SER A 35 -3.613 12.641 1.671 1.00 15.45 H new ATOM 0 HB2 SER A 35 -3.031 10.017 1.421 1.00 20.11 H new ATOM 0 HB3 SER A 35 -1.442 10.579 1.901 1.00 20.11 H new ATOM 0 HG SER A 35 -2.763 10.022 3.723 1.00 2.43 H new ATOM 505 N ASN A 36 -1.787 14.314 1.712 1.00 33.13 N ATOM 506 CA ASN A 36 -0.713 15.285 1.885 1.00 52.34 C ATOM 507 C ASN A 36 -0.243 15.325 3.335 1.00 22.34 C ATOM 508 O ASN A 36 -1.046 15.222 4.262 1.00 14.02 O ATOM 509 CB ASN A 36 -1.181 16.676 1.450 1.00 24.04 C ATOM 510 CG ASN A 36 -2.137 16.624 0.274 1.00 23.54 C ATOM 511 OD1 ASN A 36 -3.329 16.894 0.417 1.00 12.11 O ATOM 512 ND2 ASN A 36 -1.616 16.274 -0.896 1.00 71.21 N ATOM 0 H ASN A 36 -2.722 14.685 1.881 1.00 33.13 H new ATOM 0 HA ASN A 36 0.125 14.978 1.259 1.00 52.34 H new ATOM 0 HB2 ASN A 36 -1.669 17.171 2.290 1.00 24.04 H new ATOM 0 HB3 ASN A 36 -0.314 17.281 1.183 1.00 24.04 H new ATOM 0 HD21 ASN A 36 -2.210 16.220 -1.723 1.00 71.21 H new ATOM 0 HD22 ASN A 36 -0.622 16.059 -0.968 1.00 71.21 H new ATOM 519 N SER A 37 1.064 15.475 3.524 1.00 23.41 N ATOM 520 CA SER A 37 1.643 15.524 4.862 1.00 52.42 C ATOM 521 C SER A 37 2.663 16.653 4.971 1.00 44.24 C ATOM 522 O SER A 37 3.145 17.169 3.962 1.00 52.13 O ATOM 523 CB SER A 37 2.305 14.188 5.204 1.00 13.33 C ATOM 524 OG SER A 37 1.339 13.224 5.588 1.00 43.43 O ATOM 0 H SER A 37 1.742 15.565 2.768 1.00 23.41 H new ATOM 0 HA SER A 37 0.839 15.714 5.572 1.00 52.42 H new ATOM 0 HB2 SER A 37 2.864 13.824 4.342 1.00 13.33 H new ATOM 0 HB3 SER A 37 3.023 14.330 6.012 1.00 13.33 H new ATOM 0 HG SER A 37 1.787 12.378 5.800 1.00 43.43 H new ATOM 530 N ASP A 38 2.989 17.031 6.202 1.00 55.52 N ATOM 531 CA ASP A 38 3.953 18.098 6.444 1.00 14.44 C ATOM 532 C ASP A 38 5.371 17.542 6.519 1.00 1.24 C ATOM 533 O ASP A 38 5.647 16.622 7.289 1.00 24.14 O ATOM 534 CB ASP A 38 3.612 18.838 7.739 1.00 22.33 C ATOM 535 CG ASP A 38 3.898 18.005 8.974 1.00 51.14 C ATOM 536 OD1 ASP A 38 3.526 16.813 8.984 1.00 53.30 O ATOM 537 OD2 ASP A 38 4.493 18.546 9.930 1.00 70.54 O ATOM 0 H ASP A 38 2.600 16.614 7.048 1.00 55.52 H new ATOM 0 HA ASP A 38 3.901 18.798 5.610 1.00 14.44 H new ATOM 0 HB2 ASP A 38 4.186 19.763 7.787 1.00 22.33 H new ATOM 0 HB3 ASP A 38 2.558 19.117 7.728 1.00 22.33 H new ATOM 542 N ILE A 39 6.265 18.106 5.715 1.00 65.05 N ATOM 543 CA ILE A 39 7.655 17.666 5.690 1.00 10.22 C ATOM 544 C ILE A 39 7.756 16.155 5.864 1.00 62.55 C ATOM 545 O ILE A 39 8.604 15.658 6.606 1.00 44.41 O ATOM 546 CB ILE A 39 8.483 18.354 6.792 1.00 53.54 C ATOM 547 CG1 ILE A 39 7.904 18.032 8.171 1.00 5.21 C ATOM 548 CG2 ILE A 39 8.519 19.858 6.565 1.00 44.42 C ATOM 549 CD1 ILE A 39 8.690 18.640 9.312 1.00 33.43 C ATOM 0 H ILE A 39 6.052 18.869 5.072 1.00 65.05 H new ATOM 0 HA ILE A 39 8.057 17.945 4.716 1.00 10.22 H new ATOM 0 HB ILE A 39 9.504 17.975 6.750 1.00 53.54 H new ATOM 0 HG12 ILE A 39 6.876 18.390 8.217 1.00 5.21 H new ATOM 0 HG13 ILE A 39 7.871 16.950 8.299 1.00 5.21 H new ATOM 0 HG21 ILE A 39 9.108 20.331 7.351 1.00 44.42 H new ATOM 0 HG22 ILE A 39 8.972 20.069 5.596 1.00 44.42 H new ATOM 0 HG23 ILE A 39 7.503 20.253 6.585 1.00 44.42 H new ATOM 0 HD11 ILE A 39 8.223 18.371 10.259 1.00 33.43 H new ATOM 0 HD12 ILE A 39 9.712 18.263 9.291 1.00 33.43 H new ATOM 0 HD13 ILE A 39 8.702 19.725 9.208 1.00 33.43 H new ATOM 561 N THR A 40 6.886 15.425 5.172 1.00 50.32 N ATOM 562 CA THR A 40 6.877 13.970 5.248 1.00 22.11 C ATOM 563 C THR A 40 8.234 13.391 4.862 1.00 34.04 C ATOM 564 O THR A 40 8.726 12.460 5.500 1.00 1.35 O ATOM 565 CB THR A 40 5.795 13.366 4.333 1.00 21.12 C ATOM 566 OG1 THR A 40 5.881 11.937 4.351 1.00 74.31 O ATOM 567 CG2 THR A 40 5.949 13.871 2.906 1.00 23.35 C ATOM 0 H THR A 40 6.178 15.819 4.552 1.00 50.32 H new ATOM 0 HA THR A 40 6.654 13.709 6.283 1.00 22.11 H new ATOM 0 HB THR A 40 4.819 13.676 4.707 1.00 21.12 H new ATOM 0 HG1 THR A 40 5.571 11.580 3.493 1.00 74.31 H new ATOM 0 HG21 THR A 40 5.174 13.431 2.279 1.00 23.35 H new ATOM 0 HG22 THR A 40 5.854 14.957 2.892 1.00 23.35 H new ATOM 0 HG23 THR A 40 6.930 13.588 2.524 1.00 23.35 H new ATOM 575 N ASP A 41 8.833 13.948 3.816 1.00 61.52 N ATOM 576 CA ASP A 41 10.135 13.487 3.346 1.00 13.21 C ATOM 577 C ASP A 41 11.258 14.322 3.953 1.00 31.14 C ATOM 578 O ASP A 41 12.425 14.159 3.599 1.00 2.41 O ATOM 579 CB ASP A 41 10.202 13.552 1.820 1.00 42.45 C ATOM 580 CG ASP A 41 10.275 12.178 1.184 1.00 65.10 C ATOM 581 OD1 ASP A 41 10.935 11.290 1.764 1.00 34.24 O ATOM 582 OD2 ASP A 41 9.673 11.990 0.107 1.00 50.04 O ATOM 0 H ASP A 41 8.439 14.719 3.277 1.00 61.52 H new ATOM 0 HA ASP A 41 10.263 12.452 3.664 1.00 13.21 H new ATOM 0 HB2 ASP A 41 9.325 14.077 1.443 1.00 42.45 H new ATOM 0 HB3 ASP A 41 11.074 14.134 1.522 1.00 42.45 H new ATOM 587 N GLN A 42 10.896 15.215 4.868 1.00 0.44 N ATOM 588 CA GLN A 42 11.874 16.077 5.523 1.00 73.40 C ATOM 589 C GLN A 42 12.644 16.903 4.498 1.00 12.02 C ATOM 590 O GLN A 42 13.665 16.462 3.971 1.00 42.20 O ATOM 591 CB GLN A 42 12.846 15.239 6.355 1.00 3.11 C ATOM 592 CG GLN A 42 13.062 15.775 7.761 1.00 12.21 C ATOM 593 CD GLN A 42 11.763 16.149 8.449 1.00 64.42 C ATOM 594 OE1 GLN A 42 11.680 17.172 9.129 1.00 33.51 O ATOM 595 NE2 GLN A 42 10.741 15.319 8.275 1.00 41.35 N ATOM 0 H GLN A 42 9.934 15.361 5.173 1.00 0.44 H new ATOM 0 HA GLN A 42 11.337 16.759 6.182 1.00 73.40 H new ATOM 0 HB2 GLN A 42 12.470 14.218 6.418 1.00 3.11 H new ATOM 0 HB3 GLN A 42 13.806 15.194 5.841 1.00 3.11 H new ATOM 0 HG2 GLN A 42 13.581 15.024 8.356 1.00 12.21 H new ATOM 0 HG3 GLN A 42 13.710 16.650 7.717 1.00 12.21 H new ATOM 0 HE21 GLN A 42 10.855 14.482 7.703 1.00 41.35 H new ATOM 0 HE22 GLN A 42 9.842 15.518 8.714 1.00 41.35 H new ATOM 604 N VAL A 43 12.147 18.104 4.220 1.00 51.20 N ATOM 605 CA VAL A 43 12.789 18.993 3.259 1.00 75.14 C ATOM 606 C VAL A 43 14.130 19.494 3.783 1.00 34.42 C ATOM 607 O VAL A 43 14.185 20.287 4.724 1.00 73.42 O ATOM 608 CB VAL A 43 11.894 20.203 2.929 1.00 4.03 C ATOM 609 CG1 VAL A 43 11.421 20.880 4.206 1.00 13.43 C ATOM 610 CG2 VAL A 43 12.637 21.187 2.038 1.00 21.01 C ATOM 0 H VAL A 43 11.302 18.484 4.647 1.00 51.20 H new ATOM 0 HA VAL A 43 12.952 18.412 2.351 1.00 75.14 H new ATOM 0 HB VAL A 43 11.017 19.848 2.388 1.00 4.03 H new ATOM 0 HG11 VAL A 43 10.790 21.732 3.954 1.00 13.43 H new ATOM 0 HG12 VAL A 43 10.850 20.170 4.804 1.00 13.43 H new ATOM 0 HG13 VAL A 43 12.284 21.223 4.777 1.00 13.43 H new ATOM 0 HG21 VAL A 43 11.990 22.036 1.815 1.00 21.01 H new ATOM 0 HG22 VAL A 43 13.532 21.538 2.551 1.00 21.01 H new ATOM 0 HG23 VAL A 43 12.922 20.693 1.109 1.00 21.01 H new ATOM 620 N THR A 44 15.211 19.026 3.168 1.00 25.32 N ATOM 621 CA THR A 44 16.553 19.425 3.573 1.00 44.01 C ATOM 622 C THR A 44 16.894 20.816 3.051 1.00 11.33 C ATOM 623 O THR A 44 16.909 21.050 1.843 1.00 62.43 O ATOM 624 CB THR A 44 17.613 18.427 3.069 1.00 74.32 C ATOM 625 OG1 THR A 44 17.284 17.103 3.504 1.00 23.41 O ATOM 626 CG2 THR A 44 18.996 18.804 3.576 1.00 44.15 C ATOM 0 H THR A 44 15.183 18.370 2.387 1.00 25.32 H new ATOM 0 HA THR A 44 16.563 19.435 4.663 1.00 44.01 H new ATOM 0 HB THR A 44 17.622 18.460 1.980 1.00 74.32 H new ATOM 0 HG1 THR A 44 17.961 16.474 3.178 1.00 23.41 H new ATOM 0 HG21 THR A 44 19.727 18.085 3.207 1.00 44.15 H new ATOM 0 HG22 THR A 44 19.255 19.801 3.219 1.00 44.15 H new ATOM 0 HG23 THR A 44 18.998 18.797 4.666 1.00 44.15 H new ATOM 634 N TRP A 45 17.167 21.736 3.969 1.00 11.42 N ATOM 635 CA TRP A 45 17.508 23.106 3.601 1.00 62.35 C ATOM 636 C TRP A 45 19.019 23.308 3.596 1.00 25.33 C ATOM 637 O TRP A 45 19.745 22.646 4.338 1.00 25.41 O ATOM 638 CB TRP A 45 16.852 24.094 4.566 1.00 52.23 C ATOM 639 CG TRP A 45 15.375 23.886 4.716 1.00 22.21 C ATOM 640 CD1 TRP A 45 14.753 23.001 5.550 1.00 62.45 C ATOM 641 CD2 TRP A 45 14.336 24.575 4.012 1.00 4.11 C ATOM 642 NE1 TRP A 45 13.390 23.098 5.406 1.00 41.00 N ATOM 643 CE2 TRP A 45 13.109 24.057 4.470 1.00 52.34 C ATOM 644 CE3 TRP A 45 14.323 25.580 3.042 1.00 45.53 C ATOM 645 CZ2 TRP A 45 11.884 24.511 3.988 1.00 50.44 C ATOM 646 CZ3 TRP A 45 13.107 26.030 2.564 1.00 21.22 C ATOM 647 CH2 TRP A 45 11.901 25.496 3.038 1.00 50.32 C ATOM 0 H TRP A 45 17.159 21.559 4.973 1.00 11.42 H new ATOM 0 HA TRP A 45 17.132 23.289 2.594 1.00 62.35 H new ATOM 0 HB2 TRP A 45 17.325 24.005 5.544 1.00 52.23 H new ATOM 0 HB3 TRP A 45 17.035 25.110 4.215 1.00 52.23 H new ATOM 0 HD1 TRP A 45 15.258 22.325 6.224 1.00 62.45 H new ATOM 0 HE1 TRP A 45 12.699 22.545 5.914 1.00 41.00 H new ATOM 0 HE3 TRP A 45 15.247 25.998 2.672 1.00 45.53 H new ATOM 0 HZ2 TRP A 45 10.953 24.100 4.351 1.00 50.44 H new ATOM 0 HZ3 TRP A 45 13.086 26.806 1.813 1.00 21.22 H new ATOM 0 HH2 TRP A 45 10.967 25.869 2.646 1.00 50.32 H new ATOM 658 N ASP A 46 19.487 24.225 2.757 1.00 11.54 N ATOM 659 CA ASP A 46 20.913 24.515 2.658 1.00 13.32 C ATOM 660 C ASP A 46 21.145 25.958 2.222 1.00 52.44 C ATOM 661 O ASP A 46 20.380 26.508 1.429 1.00 43.22 O ATOM 662 CB ASP A 46 21.582 23.557 1.672 1.00 42.01 C ATOM 663 CG ASP A 46 22.779 22.849 2.275 1.00 63.40 C ATOM 664 OD1 ASP A 46 22.726 22.511 3.476 1.00 20.23 O ATOM 665 OD2 ASP A 46 23.769 22.631 1.545 1.00 10.25 O ATOM 0 H ASP A 46 18.900 24.781 2.135 1.00 11.54 H new ATOM 0 HA ASP A 46 21.356 24.377 3.644 1.00 13.32 H new ATOM 0 HB2 ASP A 46 20.855 22.816 1.339 1.00 42.01 H new ATOM 0 HB3 ASP A 46 21.899 24.112 0.789 1.00 42.01 H new ATOM 670 N SER A 47 22.204 26.567 2.745 1.00 23.34 N ATOM 671 CA SER A 47 22.534 27.948 2.414 1.00 64.24 C ATOM 672 C SER A 47 23.914 28.036 1.767 1.00 15.42 C ATOM 673 O SER A 47 24.821 27.277 2.108 1.00 52.42 O ATOM 674 CB SER A 47 22.490 28.821 3.669 1.00 21.32 C ATOM 675 OG SER A 47 22.627 30.193 3.342 1.00 74.44 O ATOM 0 H SER A 47 22.849 26.125 3.400 1.00 23.34 H new ATOM 0 HA SER A 47 21.793 28.312 1.702 1.00 64.24 H new ATOM 0 HB2 SER A 47 21.548 28.661 4.194 1.00 21.32 H new ATOM 0 HB3 SER A 47 23.288 28.525 4.350 1.00 21.32 H new ATOM 0 HG SER A 47 21.914 30.706 3.777 1.00 74.44 H new ATOM 681 N SER A 48 24.063 28.969 0.832 1.00 10.21 N ATOM 682 CA SER A 48 25.330 29.156 0.134 1.00 34.22 C ATOM 683 C SER A 48 26.427 29.581 1.105 1.00 42.01 C ATOM 684 O SER A 48 27.614 29.494 0.793 1.00 21.25 O ATOM 685 CB SER A 48 25.178 30.202 -0.972 1.00 14.25 C ATOM 686 OG SER A 48 24.099 29.881 -1.833 1.00 11.14 O ATOM 0 H SER A 48 23.323 29.607 0.540 1.00 10.21 H new ATOM 0 HA SER A 48 25.614 28.204 -0.314 1.00 34.22 H new ATOM 0 HB2 SER A 48 25.013 31.184 -0.528 1.00 14.25 H new ATOM 0 HB3 SER A 48 26.101 30.263 -1.548 1.00 14.25 H new ATOM 0 HG SER A 48 23.273 29.813 -1.311 1.00 11.14 H new ATOM 692 N ASN A 49 26.020 30.042 2.283 1.00 23.33 N ATOM 693 CA ASN A 49 26.968 30.482 3.301 1.00 62.43 C ATOM 694 C ASN A 49 27.698 31.745 2.854 1.00 23.41 C ATOM 695 O ASN A 49 28.051 31.891 1.683 1.00 33.02 O ATOM 696 CB ASN A 49 27.980 29.373 3.599 1.00 75.33 C ATOM 697 CG ASN A 49 28.666 29.561 4.938 1.00 73.31 C ATOM 698 OD1 ASN A 49 28.073 29.323 5.990 1.00 20.24 O ATOM 699 ND2 ASN A 49 29.922 29.990 4.904 1.00 52.22 N ATOM 0 H ASN A 49 25.041 30.121 2.557 1.00 23.33 H new ATOM 0 HA ASN A 49 26.409 30.708 4.209 1.00 62.43 H new ATOM 0 HB2 ASN A 49 27.472 28.409 3.586 1.00 75.33 H new ATOM 0 HB3 ASN A 49 28.731 29.348 2.809 1.00 75.33 H new ATOM 0 HD21 ASN A 49 30.435 30.135 5.774 1.00 52.22 H new ATOM 0 HD22 ASN A 49 30.374 30.175 4.008 1.00 52.22 H new ATOM 706 N THR A 50 27.924 32.656 3.796 1.00 75.32 N ATOM 707 CA THR A 50 28.611 33.906 3.500 1.00 11.43 C ATOM 708 C THR A 50 29.653 34.226 4.566 1.00 64.24 C ATOM 709 O THR A 50 30.855 34.111 4.326 1.00 64.52 O ATOM 710 CB THR A 50 27.620 35.082 3.399 1.00 62.41 C ATOM 711 OG1 THR A 50 26.681 34.841 2.345 1.00 10.12 O ATOM 712 CG2 THR A 50 28.355 36.388 3.142 1.00 43.35 C ATOM 0 H THR A 50 27.641 32.551 4.770 1.00 75.32 H new ATOM 0 HA THR A 50 29.107 33.774 2.538 1.00 11.43 H new ATOM 0 HB THR A 50 27.088 35.164 4.347 1.00 62.41 H new ATOM 0 HG1 THR A 50 27.160 34.751 1.495 1.00 10.12 H new ATOM 0 HG21 THR A 50 27.635 37.204 3.075 1.00 43.35 H new ATOM 0 HG22 THR A 50 29.048 36.583 3.960 1.00 43.35 H new ATOM 0 HG23 THR A 50 28.910 36.315 2.206 1.00 43.35 H new ATOM 720 N ASP A 51 29.186 34.627 5.743 1.00 72.04 N ATOM 721 CA ASP A 51 30.078 34.961 6.846 1.00 5.52 C ATOM 722 C ASP A 51 29.813 34.065 8.051 1.00 35.42 C ATOM 723 O ASP A 51 30.742 33.640 8.738 1.00 61.41 O ATOM 724 CB ASP A 51 29.909 36.430 7.240 1.00 21.42 C ATOM 725 CG ASP A 51 31.237 37.138 7.418 1.00 44.44 C ATOM 726 OD1 ASP A 51 32.054 37.115 6.473 1.00 71.53 O ATOM 727 OD2 ASP A 51 31.460 37.718 8.501 1.00 62.31 O ATOM 0 H ASP A 51 28.194 34.729 5.958 1.00 72.04 H new ATOM 0 HA ASP A 51 31.103 34.797 6.513 1.00 5.52 H new ATOM 0 HB2 ASP A 51 29.326 36.944 6.475 1.00 21.42 H new ATOM 0 HB3 ASP A 51 29.341 36.491 8.168 1.00 21.42 H new ATOM 732 N ILE A 52 28.539 33.782 8.302 1.00 13.02 N ATOM 733 CA ILE A 52 28.151 32.936 9.424 1.00 22.02 C ATOM 734 C ILE A 52 26.638 32.758 9.482 1.00 52.24 C ATOM 735 O ILE A 52 25.908 33.676 9.858 1.00 34.02 O ATOM 736 CB ILE A 52 28.640 33.519 10.764 1.00 74.44 C ATOM 737 CG1 ILE A 52 28.086 32.701 11.932 1.00 21.04 C ATOM 738 CG2 ILE A 52 28.227 34.978 10.888 1.00 21.44 C ATOM 739 CD1 ILE A 52 28.436 31.231 11.861 1.00 3.21 C ATOM 0 H ILE A 52 27.758 34.126 7.743 1.00 13.02 H new ATOM 0 HA ILE A 52 28.622 31.966 9.265 1.00 22.02 H new ATOM 0 HB ILE A 52 29.728 33.466 10.792 1.00 74.44 H new ATOM 0 HG12 ILE A 52 28.468 33.112 12.866 1.00 21.04 H new ATOM 0 HG13 ILE A 52 27.001 32.807 11.957 1.00 21.04 H new ATOM 0 HG21 ILE A 52 28.579 35.376 11.840 1.00 21.44 H new ATOM 0 HG22 ILE A 52 28.665 35.551 10.070 1.00 21.44 H new ATOM 0 HG23 ILE A 52 27.141 35.054 10.843 1.00 21.44 H new ATOM 0 HD11 ILE A 52 28.010 30.714 12.721 1.00 3.21 H new ATOM 0 HD12 ILE A 52 28.030 30.804 10.944 1.00 3.21 H new ATOM 0 HD13 ILE A 52 29.520 31.114 11.867 1.00 3.21 H new ATOM 751 N LEU A 53 26.173 31.571 9.108 1.00 54.54 N ATOM 752 CA LEU A 53 24.745 31.271 9.118 1.00 0.41 C ATOM 753 C LEU A 53 24.500 29.800 9.437 1.00 2.15 C ATOM 754 O LEU A 53 25.287 28.933 9.057 1.00 33.12 O ATOM 755 CB LEU A 53 24.120 31.623 7.767 1.00 70.41 C ATOM 756 CG LEU A 53 24.908 31.190 6.530 1.00 3.30 C ATOM 757 CD1 LEU A 53 24.778 29.691 6.311 1.00 54.01 C ATOM 758 CD2 LEU A 53 24.435 31.954 5.302 1.00 72.01 C ATOM 0 H LEU A 53 26.764 30.801 8.794 1.00 54.54 H new ATOM 0 HA LEU A 53 24.277 31.875 9.896 1.00 0.41 H new ATOM 0 HB2 LEU A 53 23.129 31.171 7.719 1.00 70.41 H new ATOM 0 HB3 LEU A 53 23.980 32.703 7.724 1.00 70.41 H new ATOM 0 HG LEU A 53 25.960 31.422 6.694 1.00 3.30 H new ATOM 0 HD11 LEU A 53 25.345 29.402 5.426 1.00 54.01 H new ATOM 0 HD12 LEU A 53 25.167 29.161 7.181 1.00 54.01 H new ATOM 0 HD13 LEU A 53 23.728 29.434 6.169 1.00 54.01 H new ATOM 0 HD21 LEU A 53 25.007 31.633 4.431 1.00 72.01 H new ATOM 0 HD22 LEU A 53 23.377 31.755 5.135 1.00 72.01 H new ATOM 0 HD23 LEU A 53 24.582 33.022 5.459 1.00 72.01 H new ATOM 770 N SER A 54 23.403 29.526 10.137 1.00 44.15 N ATOM 771 CA SER A 54 23.055 28.160 10.508 1.00 24.34 C ATOM 772 C SER A 54 21.563 27.908 10.317 1.00 71.13 C ATOM 773 O SER A 54 20.729 28.718 10.722 1.00 33.25 O ATOM 774 CB SER A 54 23.447 27.889 11.962 1.00 23.22 C ATOM 775 OG SER A 54 24.087 26.631 12.092 1.00 34.21 O ATOM 0 H SER A 54 22.741 30.232 10.458 1.00 44.15 H new ATOM 0 HA SER A 54 23.606 27.481 9.857 1.00 24.34 H new ATOM 0 HB2 SER A 54 24.112 28.677 12.316 1.00 23.22 H new ATOM 0 HB3 SER A 54 22.558 27.915 12.592 1.00 23.22 H new ATOM 0 HG SER A 54 24.329 26.482 13.030 1.00 34.21 H new ATOM 781 N ILE A 55 21.235 26.780 9.696 1.00 54.12 N ATOM 782 CA ILE A 55 19.843 26.420 9.451 1.00 45.41 C ATOM 783 C ILE A 55 19.490 25.100 10.127 1.00 51.02 C ATOM 784 O ILE A 55 20.180 24.096 9.951 1.00 44.31 O ATOM 785 CB ILE A 55 19.548 26.308 7.944 1.00 60.14 C ATOM 786 CG1 ILE A 55 20.438 25.239 7.306 1.00 41.44 C ATOM 787 CG2 ILE A 55 19.753 27.652 7.262 1.00 44.42 C ATOM 788 CD1 ILE A 55 19.736 23.916 7.093 1.00 3.33 C ATOM 0 H ILE A 55 21.913 26.100 9.353 1.00 54.12 H new ATOM 0 HA ILE A 55 19.231 27.217 9.874 1.00 45.41 H new ATOM 0 HB ILE A 55 18.507 26.012 7.814 1.00 60.14 H new ATOM 0 HG12 ILE A 55 20.802 25.606 6.347 1.00 41.44 H new ATOM 0 HG13 ILE A 55 21.311 25.080 7.939 1.00 41.44 H new ATOM 0 HG21 ILE A 55 19.540 27.556 6.197 1.00 44.42 H new ATOM 0 HG22 ILE A 55 19.081 28.389 7.701 1.00 44.42 H new ATOM 0 HG23 ILE A 55 20.785 27.975 7.398 1.00 44.42 H new ATOM 0 HD11 ILE A 55 20.427 23.207 6.638 1.00 3.33 H new ATOM 0 HD12 ILE A 55 19.396 23.526 8.052 1.00 3.33 H new ATOM 0 HD13 ILE A 55 18.879 24.061 6.435 1.00 3.33 H new ATOM 800 N SER A 56 18.408 25.108 10.900 1.00 44.14 N ATOM 801 CA SER A 56 17.963 23.911 11.604 1.00 43.40 C ATOM 802 C SER A 56 16.512 23.588 11.262 1.00 62.32 C ATOM 803 O SER A 56 15.609 24.381 11.525 1.00 23.44 O ATOM 804 CB SER A 56 18.114 24.098 13.115 1.00 35.20 C ATOM 805 OG SER A 56 18.104 25.471 13.463 1.00 55.51 O ATOM 0 H SER A 56 17.824 25.930 11.054 1.00 44.14 H new ATOM 0 HA SER A 56 18.587 23.077 11.284 1.00 43.40 H new ATOM 0 HB2 SER A 56 17.304 23.583 13.631 1.00 35.20 H new ATOM 0 HB3 SER A 56 19.046 23.642 13.450 1.00 35.20 H new ATOM 0 HG SER A 56 18.200 25.563 14.434 1.00 55.51 H new ATOM 811 N ASN A 57 16.297 22.416 10.672 1.00 10.05 N ATOM 812 CA ASN A 57 14.956 21.986 10.293 1.00 50.31 C ATOM 813 C ASN A 57 14.823 20.470 10.391 1.00 72.43 C ATOM 814 O ASN A 57 14.897 19.764 9.385 1.00 25.35 O ATOM 815 CB ASN A 57 14.634 22.447 8.870 1.00 51.11 C ATOM 816 CG ASN A 57 15.354 23.730 8.501 1.00 74.23 C ATOM 817 OD1 ASN A 57 14.800 24.823 8.624 1.00 24.31 O ATOM 818 ND2 ASN A 57 16.594 23.602 8.045 1.00 62.34 N ATOM 0 H ASN A 57 17.034 21.748 10.446 1.00 10.05 H new ATOM 0 HA ASN A 57 14.246 22.440 10.984 1.00 50.31 H new ATOM 0 HB2 ASN A 57 14.911 21.663 8.166 1.00 51.11 H new ATOM 0 HB3 ASN A 57 13.559 22.597 8.774 1.00 51.11 H new ATOM 0 HD21 ASN A 57 17.128 24.430 7.780 1.00 62.34 H new ATOM 0 HD22 ASN A 57 17.013 22.676 7.960 1.00 62.34 H new ATOM 825 N ALA A 58 14.624 19.976 11.609 1.00 65.25 N ATOM 826 CA ALA A 58 14.478 18.544 11.838 1.00 60.23 C ATOM 827 C ALA A 58 14.326 18.238 13.324 1.00 55.41 C ATOM 828 O ALA A 58 13.669 17.269 13.704 1.00 61.10 O ATOM 829 CB ALA A 58 15.669 17.793 11.262 1.00 25.40 C ATOM 0 H ALA A 58 14.560 20.547 12.452 1.00 65.25 H new ATOM 0 HA ALA A 58 13.573 18.211 11.331 1.00 60.23 H new ATOM 0 HB1 ALA A 58 15.546 16.725 11.440 1.00 25.40 H new ATOM 0 HB2 ALA A 58 15.731 17.977 10.189 1.00 25.40 H new ATOM 0 HB3 ALA A 58 16.584 18.138 11.743 1.00 25.40 H new ATOM 835 N SER A 59 14.937 19.071 14.160 1.00 13.32 N ATOM 836 CA SER A 59 14.872 18.887 15.605 1.00 4.43 C ATOM 837 C SER A 59 13.425 18.772 16.074 1.00 2.14 C ATOM 838 O SER A 59 13.146 18.196 17.126 1.00 11.21 O ATOM 839 CB SER A 59 15.561 20.052 16.320 1.00 32.31 C ATOM 840 OG SER A 59 16.725 19.616 17.001 1.00 71.24 O ATOM 0 H SER A 59 15.482 19.880 13.862 1.00 13.32 H new ATOM 0 HA SER A 59 15.390 17.960 15.852 1.00 4.43 H new ATOM 0 HB2 SER A 59 15.827 20.822 15.595 1.00 32.31 H new ATOM 0 HB3 SER A 59 14.870 20.507 17.029 1.00 32.31 H new ATOM 0 HG SER A 59 17.148 20.379 17.448 1.00 71.24 H new ATOM 846 N ASP A 60 12.509 19.324 15.287 1.00 70.04 N ATOM 847 CA ASP A 60 11.090 19.283 15.619 1.00 13.12 C ATOM 848 C ASP A 60 10.248 19.009 14.377 1.00 61.42 C ATOM 849 O ASP A 60 9.590 17.973 14.277 1.00 11.21 O ATOM 850 CB ASP A 60 10.657 20.601 16.263 1.00 53.32 C ATOM 851 CG ASP A 60 10.225 20.427 17.705 1.00 32.25 C ATOM 852 OD1 ASP A 60 11.004 19.850 18.493 1.00 42.11 O ATOM 853 OD2 ASP A 60 9.108 20.868 18.047 1.00 32.34 O ATOM 0 H ASP A 60 12.724 19.806 14.414 1.00 70.04 H new ATOM 0 HA ASP A 60 10.932 18.471 16.329 1.00 13.12 H new ATOM 0 HB2 ASP A 60 11.482 21.312 16.217 1.00 53.32 H new ATOM 0 HB3 ASP A 60 9.835 21.029 15.690 1.00 53.32 H new ATOM 858 N SER A 61 10.274 19.944 13.433 1.00 74.35 N ATOM 859 CA SER A 61 9.509 19.805 12.199 1.00 42.05 C ATOM 860 C SER A 61 9.590 21.079 11.363 1.00 12.34 C ATOM 861 O SER A 61 10.145 21.081 10.264 1.00 31.11 O ATOM 862 CB SER A 61 8.048 19.479 12.513 1.00 52.41 C ATOM 863 OG SER A 61 7.172 20.178 11.645 1.00 34.23 O ATOM 0 H SER A 61 10.816 20.806 13.499 1.00 74.35 H new ATOM 0 HA SER A 61 9.940 18.986 11.624 1.00 42.05 H new ATOM 0 HB2 SER A 61 7.882 18.406 12.415 1.00 52.41 H new ATOM 0 HB3 SER A 61 7.827 19.743 13.547 1.00 52.41 H new ATOM 0 HG SER A 61 6.244 19.951 11.865 1.00 34.23 H new ATOM 869 N HIS A 62 9.031 22.163 11.893 1.00 24.04 N ATOM 870 CA HIS A 62 9.040 23.445 11.198 1.00 11.10 C ATOM 871 C HIS A 62 10.466 23.870 10.859 1.00 75.33 C ATOM 872 O HIS A 62 11.409 23.544 11.578 1.00 32.12 O ATOM 873 CB HIS A 62 8.366 24.518 12.054 1.00 71.10 C ATOM 874 CG HIS A 62 6.950 24.801 11.655 1.00 65.04 C ATOM 875 ND1 HIS A 62 6.476 26.074 11.417 1.00 73.41 N ATOM 876 CD2 HIS A 62 5.905 23.966 11.449 1.00 13.55 C ATOM 877 CE1 HIS A 62 5.199 26.010 11.085 1.00 73.23 C ATOM 878 NE2 HIS A 62 4.828 24.742 11.097 1.00 51.14 N ATOM 0 H HIS A 62 8.567 22.179 12.801 1.00 24.04 H new ATOM 0 HA HIS A 62 8.483 23.330 10.268 1.00 11.10 H new ATOM 0 HB2 HIS A 62 8.385 24.203 13.097 1.00 71.10 H new ATOM 0 HB3 HIS A 62 8.944 25.440 11.988 1.00 71.10 H new ATOM 0 HD2 HIS A 62 5.916 22.890 11.544 1.00 13.55 H new ATOM 0 HE1 HIS A 62 4.566 26.851 10.845 1.00 73.23 H new ATOM 0 HE2 HIS A 62 3.893 24.396 10.880 1.00 51.14 H new ATOM 886 N GLY A 63 10.615 24.599 9.757 1.00 74.34 N ATOM 887 CA GLY A 63 11.928 25.055 9.341 1.00 60.20 C ATOM 888 C GLY A 63 12.265 26.427 9.889 1.00 44.31 C ATOM 889 O GLY A 63 11.398 27.296 9.986 1.00 75.02 O ATOM 0 H GLY A 63 9.850 24.882 9.145 1.00 74.34 H new ATOM 0 HA2 GLY A 63 12.680 24.339 9.674 1.00 60.20 H new ATOM 0 HA3 GLY A 63 11.972 25.081 8.252 1.00 60.20 H new ATOM 893 N LEU A 64 13.529 26.624 10.250 1.00 15.11 N ATOM 894 CA LEU A 64 13.979 27.901 10.793 1.00 31.14 C ATOM 895 C LEU A 64 15.432 28.171 10.416 1.00 52.33 C ATOM 896 O LEU A 64 16.349 27.555 10.957 1.00 61.32 O ATOM 897 CB LEU A 64 13.825 27.913 12.315 1.00 31.22 C ATOM 898 CG LEU A 64 12.428 27.596 12.851 1.00 1.40 C ATOM 899 CD1 LEU A 64 12.227 26.093 12.963 1.00 3.13 C ATOM 900 CD2 LEU A 64 12.209 28.268 14.199 1.00 23.30 C ATOM 0 H LEU A 64 14.260 25.916 10.176 1.00 15.11 H new ATOM 0 HA LEU A 64 13.359 28.689 10.365 1.00 31.14 H new ATOM 0 HB2 LEU A 64 14.526 27.193 12.737 1.00 31.22 H new ATOM 0 HB3 LEU A 64 14.119 28.896 12.682 1.00 31.22 H new ATOM 0 HG LEU A 64 11.693 27.988 12.148 1.00 1.40 H new ATOM 0 HD11 LEU A 64 11.227 25.887 13.346 1.00 3.13 H new ATOM 0 HD12 LEU A 64 12.340 25.637 11.980 1.00 3.13 H new ATOM 0 HD13 LEU A 64 12.969 25.676 13.644 1.00 3.13 H new ATOM 0 HD21 LEU A 64 11.210 28.032 14.565 1.00 23.30 H new ATOM 0 HD22 LEU A 64 12.951 27.907 14.911 1.00 23.30 H new ATOM 0 HD23 LEU A 64 12.309 29.348 14.088 1.00 23.30 H new ATOM 912 N ALA A 65 15.633 29.099 9.485 1.00 21.34 N ATOM 913 CA ALA A 65 16.974 29.454 9.039 1.00 63.04 C ATOM 914 C ALA A 65 17.440 30.756 9.682 1.00 62.15 C ATOM 915 O ALA A 65 16.789 31.792 9.550 1.00 42.25 O ATOM 916 CB ALA A 65 17.012 29.569 7.522 1.00 63.11 C ATOM 0 H ALA A 65 14.884 29.618 9.026 1.00 21.34 H new ATOM 0 HA ALA A 65 17.655 28.662 9.350 1.00 63.04 H new ATOM 0 HB1 ALA A 65 18.020 29.835 7.202 1.00 63.11 H new ATOM 0 HB2 ALA A 65 16.730 28.614 7.078 1.00 63.11 H new ATOM 0 HB3 ALA A 65 16.313 30.340 7.198 1.00 63.11 H new ATOM 922 N SER A 66 18.571 30.695 10.378 1.00 14.12 N ATOM 923 CA SER A 66 19.121 31.869 11.046 1.00 61.12 C ATOM 924 C SER A 66 20.421 32.312 10.382 1.00 63.34 C ATOM 925 O SER A 66 21.238 31.485 9.974 1.00 21.25 O ATOM 926 CB SER A 66 19.367 31.571 12.526 1.00 0.42 C ATOM 927 OG SER A 66 20.057 32.639 13.153 1.00 34.22 O ATOM 0 H SER A 66 19.124 29.846 10.494 1.00 14.12 H new ATOM 0 HA SER A 66 18.396 32.678 10.961 1.00 61.12 H new ATOM 0 HB2 SER A 66 18.415 31.403 13.030 1.00 0.42 H new ATOM 0 HB3 SER A 66 19.946 30.652 12.624 1.00 0.42 H new ATOM 0 HG SER A 66 20.201 32.425 14.099 1.00 34.22 H new ATOM 933 N THR A 67 20.607 33.624 10.275 1.00 61.20 N ATOM 934 CA THR A 67 21.806 34.178 9.660 1.00 42.44 C ATOM 935 C THR A 67 22.315 35.386 10.438 1.00 41.32 C ATOM 936 O THR A 67 21.534 36.123 11.042 1.00 20.52 O ATOM 937 CB THR A 67 21.547 34.595 8.199 1.00 21.24 C ATOM 938 OG1 THR A 67 22.742 35.137 7.625 1.00 33.41 O ATOM 939 CG2 THR A 67 20.429 35.623 8.120 1.00 33.12 C ATOM 0 H THR A 67 19.942 34.323 10.607 1.00 61.20 H new ATOM 0 HA THR A 67 22.562 33.393 9.678 1.00 42.44 H new ATOM 0 HB THR A 67 21.245 33.710 7.640 1.00 21.24 H new ATOM 0 HG1 THR A 67 22.688 35.087 6.648 1.00 33.41 H new ATOM 0 HG21 THR A 67 20.264 35.902 7.079 1.00 33.12 H new ATOM 0 HG22 THR A 67 19.514 35.197 8.531 1.00 33.12 H new ATOM 0 HG23 THR A 67 20.707 36.507 8.693 1.00 33.12 H new ATOM 947 N LEU A 68 23.628 35.586 10.419 1.00 23.30 N ATOM 948 CA LEU A 68 24.242 36.706 11.123 1.00 42.40 C ATOM 949 C LEU A 68 25.460 37.225 10.364 1.00 31.45 C ATOM 950 O LEU A 68 26.550 37.335 10.923 1.00 3.31 O ATOM 951 CB LEU A 68 24.649 36.285 12.536 1.00 14.43 C ATOM 952 CG LEU A 68 23.712 35.303 13.240 1.00 74.25 C ATOM 953 CD1 LEU A 68 24.080 33.870 12.888 1.00 32.33 C ATOM 954 CD2 LEU A 68 23.753 35.512 14.746 1.00 13.02 C ATOM 0 H LEU A 68 24.288 34.987 9.923 1.00 23.30 H new ATOM 0 HA LEU A 68 23.508 37.509 11.187 1.00 42.40 H new ATOM 0 HB2 LEU A 68 25.642 35.838 12.488 1.00 14.43 H new ATOM 0 HB3 LEU A 68 24.732 37.181 13.151 1.00 14.43 H new ATOM 0 HG LEU A 68 22.695 35.491 12.896 1.00 74.25 H new ATOM 0 HD11 LEU A 68 23.403 33.185 13.398 1.00 32.33 H new ATOM 0 HD12 LEU A 68 23.997 33.727 11.811 1.00 32.33 H new ATOM 0 HD13 LEU A 68 25.104 33.669 13.203 1.00 32.33 H new ATOM 0 HD21 LEU A 68 23.080 34.804 15.230 1.00 13.02 H new ATOM 0 HD22 LEU A 68 24.769 35.352 15.108 1.00 13.02 H new ATOM 0 HD23 LEU A 68 23.440 36.529 14.981 1.00 13.02 H new ATOM 966 N ASN A 69 25.265 37.543 9.089 1.00 72.11 N ATOM 967 CA ASN A 69 26.347 38.051 8.254 1.00 51.51 C ATOM 968 C ASN A 69 25.929 39.337 7.546 1.00 64.34 C ATOM 969 O ASN A 69 24.776 39.758 7.632 1.00 23.44 O ATOM 970 CB ASN A 69 26.761 36.999 7.223 1.00 3.42 C ATOM 971 CG ASN A 69 25.569 36.313 6.586 1.00 54.33 C ATOM 972 OD1 ASN A 69 24.824 36.924 5.819 1.00 71.13 O ATOM 973 ND2 ASN A 69 25.382 35.037 6.901 1.00 20.04 N ATOM 0 H ASN A 69 24.368 37.458 8.611 1.00 72.11 H new ATOM 0 HA ASN A 69 27.198 38.272 8.899 1.00 51.51 H new ATOM 0 HB2 ASN A 69 27.362 37.472 6.446 1.00 3.42 H new ATOM 0 HB3 ASN A 69 27.392 36.252 7.704 1.00 3.42 H new ATOM 0 HD21 ASN A 69 24.596 34.523 6.503 1.00 20.04 H new ATOM 0 HD22 ASN A 69 26.025 34.570 7.541 1.00 20.04 H new ATOM 980 N GLN A 70 26.875 39.954 6.845 1.00 24.11 N ATOM 981 CA GLN A 70 26.605 41.191 6.122 1.00 64.10 C ATOM 982 C GLN A 70 26.813 41.002 4.623 1.00 70.30 C ATOM 983 O GLN A 70 27.709 41.600 4.030 1.00 42.32 O ATOM 984 CB GLN A 70 27.508 42.314 6.636 1.00 15.20 C ATOM 985 CG GLN A 70 28.964 41.905 6.785 1.00 31.21 C ATOM 986 CD GLN A 70 29.881 43.088 7.022 1.00 45.25 C ATOM 987 OE1 GLN A 70 29.855 44.068 6.276 1.00 35.02 O ATOM 988 NE2 GLN A 70 30.701 43.004 8.063 1.00 33.42 N ATOM 0 H GLN A 70 27.834 39.618 6.763 1.00 24.11 H new ATOM 0 HA GLN A 70 25.564 41.463 6.294 1.00 64.10 H new ATOM 0 HB2 GLN A 70 27.445 43.161 5.952 1.00 15.20 H new ATOM 0 HB3 GLN A 70 27.135 42.656 7.601 1.00 15.20 H new ATOM 0 HG2 GLN A 70 29.058 41.205 7.616 1.00 31.21 H new ATOM 0 HG3 GLN A 70 29.283 41.377 5.886 1.00 31.21 H new ATOM 0 HE21 GLN A 70 30.690 42.174 8.655 1.00 33.42 H new ATOM 0 HE22 GLN A 70 31.342 43.770 8.270 1.00 33.42 H new ATOM 997 N GLY A 71 25.978 40.164 4.016 1.00 72.13 N ATOM 998 CA GLY A 71 26.087 39.910 2.591 1.00 0.30 C ATOM 999 C GLY A 71 24.858 39.225 2.028 1.00 32.43 C ATOM 1000 O GLY A 71 23.837 39.114 2.705 1.00 35.40 O ATOM 0 H GLY A 71 25.228 39.657 4.486 1.00 72.13 H new ATOM 0 HA2 GLY A 71 26.245 40.853 2.068 1.00 0.30 H new ATOM 0 HA3 GLY A 71 26.963 39.290 2.402 1.00 0.30 H new ATOM 1004 N ASN A 72 24.956 38.765 0.785 1.00 33.21 N ATOM 1005 CA ASN A 72 23.842 38.088 0.131 1.00 53.34 C ATOM 1006 C ASN A 72 24.150 36.609 -0.077 1.00 61.41 C ATOM 1007 O ASN A 72 25.191 36.252 -0.629 1.00 21.21 O ATOM 1008 CB ASN A 72 23.535 38.750 -1.214 1.00 51.42 C ATOM 1009 CG ASN A 72 24.771 39.344 -1.862 1.00 1.13 C ATOM 1010 OD1 ASN A 72 25.797 38.676 -1.996 1.00 14.42 O ATOM 1011 ND2 ASN A 72 24.679 40.605 -2.267 1.00 12.44 N ATOM 0 H ASN A 72 25.795 38.849 0.211 1.00 33.21 H new ATOM 0 HA ASN A 72 22.969 38.171 0.778 1.00 53.34 H new ATOM 0 HB2 ASN A 72 23.094 38.014 -1.886 1.00 51.42 H new ATOM 0 HB3 ASN A 72 22.792 39.534 -1.069 1.00 51.42 H new ATOM 0 HD21 ASN A 72 25.479 41.058 -2.710 1.00 12.44 H new ATOM 0 HD22 ASN A 72 23.809 41.121 -2.136 1.00 12.44 H new ATOM 1018 N VAL A 73 23.237 35.751 0.369 1.00 43.24 N ATOM 1019 CA VAL A 73 23.410 34.310 0.230 1.00 2.14 C ATOM 1020 C VAL A 73 22.231 33.683 -0.504 1.00 52.15 C ATOM 1021 O VAL A 73 21.203 34.327 -0.715 1.00 74.22 O ATOM 1022 CB VAL A 73 23.566 33.629 1.603 1.00 1.33 C ATOM 1023 CG1 VAL A 73 24.780 32.712 1.610 1.00 54.30 C ATOM 1024 CG2 VAL A 73 23.669 34.672 2.706 1.00 44.21 C ATOM 0 H VAL A 73 22.370 36.029 0.829 1.00 43.24 H new ATOM 0 HA VAL A 73 24.319 34.155 -0.350 1.00 2.14 H new ATOM 0 HB VAL A 73 22.681 33.021 1.790 1.00 1.33 H new ATOM 0 HG11 VAL A 73 24.874 32.240 2.588 1.00 54.30 H new ATOM 0 HG12 VAL A 73 24.660 31.944 0.846 1.00 54.30 H new ATOM 0 HG13 VAL A 73 25.677 33.295 1.401 1.00 54.30 H new ATOM 0 HG21 VAL A 73 23.779 34.173 3.669 1.00 44.21 H new ATOM 0 HG22 VAL A 73 24.536 35.308 2.526 1.00 44.21 H new ATOM 0 HG23 VAL A 73 22.766 35.283 2.714 1.00 44.21 H new ATOM 1034 N LYS A 74 22.386 32.422 -0.893 1.00 33.22 N ATOM 1035 CA LYS A 74 21.333 31.705 -1.603 1.00 65.22 C ATOM 1036 C LYS A 74 20.962 30.419 -0.872 1.00 31.13 C ATOM 1037 O LYS A 74 21.821 29.583 -0.589 1.00 12.53 O ATOM 1038 CB LYS A 74 21.782 31.381 -3.030 1.00 23.00 C ATOM 1039 CG LYS A 74 20.652 31.406 -4.044 1.00 35.43 C ATOM 1040 CD LYS A 74 19.854 30.113 -4.020 1.00 75.25 C ATOM 1041 CE LYS A 74 20.126 29.268 -5.255 1.00 74.54 C ATOM 1042 NZ LYS A 74 18.896 28.579 -5.738 1.00 45.44 N ATOM 0 H LYS A 74 23.231 31.875 -0.728 1.00 33.22 H new ATOM 0 HA LYS A 74 20.453 32.347 -1.642 1.00 65.22 H new ATOM 0 HB2 LYS A 74 22.546 32.097 -3.333 1.00 23.00 H new ATOM 0 HB3 LYS A 74 22.247 30.395 -3.041 1.00 23.00 H new ATOM 0 HG2 LYS A 74 19.991 32.247 -3.833 1.00 35.43 H new ATOM 0 HG3 LYS A 74 21.061 31.564 -5.042 1.00 35.43 H new ATOM 0 HD2 LYS A 74 20.108 29.544 -3.125 1.00 75.25 H new ATOM 0 HD3 LYS A 74 18.790 30.342 -3.961 1.00 75.25 H new ATOM 0 HE2 LYS A 74 20.523 29.902 -6.048 1.00 74.54 H new ATOM 0 HE3 LYS A 74 20.892 28.527 -5.026 1.00 74.54 H new ATOM 0 HZ1 LYS A 74 19.141 27.626 -6.074 1.00 45.44 H new ATOM 0 HZ2 LYS A 74 18.210 28.506 -4.959 1.00 45.44 H new ATOM 0 HZ3 LYS A 74 18.477 29.124 -6.518 1.00 45.44 H new ATOM 1056 N VAL A 75 19.677 30.266 -0.569 1.00 74.43 N ATOM 1057 CA VAL A 75 19.191 29.080 0.127 1.00 42.01 C ATOM 1058 C VAL A 75 18.452 28.147 -0.826 1.00 41.30 C ATOM 1059 O VAL A 75 17.586 28.578 -1.589 1.00 4.35 O ATOM 1060 CB VAL A 75 18.254 29.456 1.289 1.00 14.45 C ATOM 1061 CG1 VAL A 75 17.689 28.206 1.947 1.00 44.12 C ATOM 1062 CG2 VAL A 75 18.986 30.319 2.306 1.00 30.01 C ATOM 0 H VAL A 75 18.953 30.949 -0.795 1.00 74.43 H new ATOM 0 HA VAL A 75 20.066 28.567 0.527 1.00 42.01 H new ATOM 0 HB VAL A 75 17.421 30.034 0.888 1.00 14.45 H new ATOM 0 HG11 VAL A 75 17.029 28.492 2.766 1.00 44.12 H new ATOM 0 HG12 VAL A 75 17.126 27.631 1.212 1.00 44.12 H new ATOM 0 HG13 VAL A 75 18.506 27.598 2.335 1.00 44.12 H new ATOM 0 HG21 VAL A 75 18.308 30.575 3.120 1.00 30.01 H new ATOM 0 HG22 VAL A 75 19.839 29.769 2.703 1.00 30.01 H new ATOM 0 HG23 VAL A 75 19.336 31.232 1.824 1.00 30.01 H new ATOM 1072 N THR A 76 18.799 26.865 -0.778 1.00 32.33 N ATOM 1073 CA THR A 76 18.169 25.870 -1.637 1.00 23.12 C ATOM 1074 C THR A 76 17.834 24.604 -0.857 1.00 74.32 C ATOM 1075 O THR A 76 18.644 24.115 -0.071 1.00 33.35 O ATOM 1076 CB THR A 76 19.075 25.501 -2.827 1.00 1.41 C ATOM 1077 OG1 THR A 76 20.152 26.439 -2.931 1.00 63.04 O ATOM 1078 CG2 THR A 76 18.283 25.485 -4.125 1.00 74.03 C ATOM 0 H THR A 76 19.513 26.491 -0.153 1.00 32.33 H new ATOM 0 HA THR A 76 17.249 26.315 -2.015 1.00 23.12 H new ATOM 0 HB THR A 76 19.478 24.503 -2.653 1.00 1.41 H new ATOM 0 HG1 THR A 76 20.725 26.197 -3.689 1.00 63.04 H new ATOM 0 HG21 THR A 76 18.944 25.222 -4.951 1.00 74.03 H new ATOM 0 HG22 THR A 76 17.481 24.750 -4.053 1.00 74.03 H new ATOM 0 HG23 THR A 76 17.855 26.472 -4.302 1.00 74.03 H new ATOM 1086 N ALA A 77 16.634 24.077 -1.081 1.00 62.24 N ATOM 1087 CA ALA A 77 16.193 22.865 -0.402 1.00 12.34 C ATOM 1088 C ALA A 77 15.503 21.912 -1.371 1.00 53.14 C ATOM 1089 O ALA A 77 15.095 22.309 -2.463 1.00 14.54 O ATOM 1090 CB ALA A 77 15.262 23.216 0.750 1.00 73.44 C ATOM 0 H ALA A 77 15.950 24.471 -1.727 1.00 62.24 H new ATOM 0 HA ALA A 77 17.073 22.360 -0.004 1.00 12.34 H new ATOM 0 HB1 ALA A 77 14.940 22.302 1.249 1.00 73.44 H new ATOM 0 HB2 ALA A 77 15.788 23.852 1.462 1.00 73.44 H new ATOM 0 HB3 ALA A 77 14.391 23.746 0.365 1.00 73.44 H new ATOM 1096 N SER A 78 15.376 20.652 -0.967 1.00 3.45 N ATOM 1097 CA SER A 78 14.739 19.641 -1.802 1.00 44.21 C ATOM 1098 C SER A 78 14.018 18.605 -0.946 1.00 20.31 C ATOM 1099 O SER A 78 14.543 18.149 0.071 1.00 41.54 O ATOM 1100 CB SER A 78 15.779 18.953 -2.688 1.00 63.33 C ATOM 1101 OG SER A 78 15.652 19.365 -4.038 1.00 70.31 O ATOM 0 H SER A 78 15.706 20.307 -0.066 1.00 3.45 H new ATOM 0 HA SER A 78 14.004 20.138 -2.435 1.00 44.21 H new ATOM 0 HB2 SER A 78 16.781 19.186 -2.326 1.00 63.33 H new ATOM 0 HB3 SER A 78 15.659 17.872 -2.622 1.00 63.33 H new ATOM 0 HG SER A 78 16.329 18.912 -4.583 1.00 70.31 H new ATOM 1107 N ILE A 79 12.812 18.237 -1.365 1.00 32.13 N ATOM 1108 CA ILE A 79 12.018 17.254 -0.638 1.00 23.23 C ATOM 1109 C ILE A 79 11.312 16.300 -1.596 1.00 1.44 C ATOM 1110 O ILE A 79 10.648 16.730 -2.538 1.00 35.33 O ATOM 1111 CB ILE A 79 10.968 17.932 0.261 1.00 14.03 C ATOM 1112 CG1 ILE A 79 10.124 16.878 0.981 1.00 12.01 C ATOM 1113 CG2 ILE A 79 10.082 18.855 -0.562 1.00 43.14 C ATOM 1114 CD1 ILE A 79 9.356 17.424 2.165 1.00 71.15 C ATOM 0 H ILE A 79 12.363 18.605 -2.204 1.00 32.13 H new ATOM 0 HA ILE A 79 12.710 16.690 -0.012 1.00 23.23 H new ATOM 0 HB ILE A 79 11.486 18.530 1.011 1.00 14.03 H new ATOM 0 HG12 ILE A 79 9.421 16.441 0.272 1.00 12.01 H new ATOM 0 HG13 ILE A 79 10.775 16.073 1.321 1.00 12.01 H new ATOM 0 HG21 ILE A 79 9.345 19.327 0.088 1.00 43.14 H new ATOM 0 HG22 ILE A 79 10.695 19.623 -1.033 1.00 43.14 H new ATOM 0 HG23 ILE A 79 9.570 18.277 -1.332 1.00 43.14 H new ATOM 0 HD11 ILE A 79 8.780 16.622 2.627 1.00 71.15 H new ATOM 0 HD12 ILE A 79 10.055 17.835 2.894 1.00 71.15 H new ATOM 0 HD13 ILE A 79 8.679 18.209 1.829 1.00 71.15 H new ATOM 1126 N GLY A 80 11.460 15.003 -1.346 1.00 73.35 N ATOM 1127 CA GLY A 80 10.829 14.008 -2.194 1.00 51.14 C ATOM 1128 C GLY A 80 11.241 14.139 -3.647 1.00 41.21 C ATOM 1129 O GLY A 80 12.303 13.662 -4.044 1.00 24.12 O ATOM 0 H GLY A 80 12.005 14.623 -0.572 1.00 73.35 H new ATOM 0 HA2 GLY A 80 11.088 13.012 -1.835 1.00 51.14 H new ATOM 0 HA3 GLY A 80 9.746 14.103 -2.117 1.00 51.14 H new ATOM 1133 N GLY A 81 10.397 14.787 -4.444 1.00 41.43 N ATOM 1134 CA GLY A 81 10.696 14.966 -5.853 1.00 43.40 C ATOM 1135 C GLY A 81 10.911 16.421 -6.220 1.00 1.42 C ATOM 1136 O GLY A 81 11.957 16.784 -6.759 1.00 53.45 O ATOM 0 H GLY A 81 9.512 15.191 -4.139 1.00 41.43 H new ATOM 0 HA2 GLY A 81 11.589 14.395 -6.107 1.00 43.40 H new ATOM 0 HA3 GLY A 81 9.878 14.561 -6.449 1.00 43.40 H new ATOM 1140 N ILE A 82 9.919 17.256 -5.928 1.00 42.02 N ATOM 1141 CA ILE A 82 10.005 18.679 -6.232 1.00 11.14 C ATOM 1142 C ILE A 82 11.019 19.373 -5.329 1.00 43.53 C ATOM 1143 O ILE A 82 11.286 18.921 -4.216 1.00 60.14 O ATOM 1144 CB ILE A 82 8.638 19.371 -6.076 1.00 12.21 C ATOM 1145 CG1 ILE A 82 7.554 18.578 -6.809 1.00 11.30 C ATOM 1146 CG2 ILE A 82 8.704 20.798 -6.600 1.00 32.03 C ATOM 1147 CD1 ILE A 82 7.748 18.533 -8.308 1.00 63.14 C ATOM 0 H ILE A 82 9.047 16.972 -5.482 1.00 42.02 H new ATOM 0 HA ILE A 82 10.329 18.762 -7.269 1.00 11.14 H new ATOM 0 HB ILE A 82 8.383 19.405 -5.017 1.00 12.21 H new ATOM 0 HG12 ILE A 82 7.536 17.559 -6.422 1.00 11.30 H new ATOM 0 HG13 ILE A 82 6.582 19.019 -6.590 1.00 11.30 H new ATOM 0 HG21 ILE A 82 7.730 21.274 -6.483 1.00 32.03 H new ATOM 0 HG22 ILE A 82 9.452 21.358 -6.038 1.00 32.03 H new ATOM 0 HG23 ILE A 82 8.977 20.786 -7.655 1.00 32.03 H new ATOM 0 HD11 ILE A 82 6.943 17.955 -8.762 1.00 63.14 H new ATOM 0 HD12 ILE A 82 7.736 19.547 -8.707 1.00 63.14 H new ATOM 0 HD13 ILE A 82 8.705 18.065 -8.537 1.00 63.14 H new ATOM 1159 N GLN A 83 11.580 20.476 -5.817 1.00 31.42 N ATOM 1160 CA GLN A 83 12.564 21.233 -5.053 1.00 43.23 C ATOM 1161 C GLN A 83 12.206 22.715 -5.023 1.00 45.42 C ATOM 1162 O GLN A 83 11.413 23.189 -5.835 1.00 14.32 O ATOM 1163 CB GLN A 83 13.959 21.045 -5.652 1.00 5.33 C ATOM 1164 CG GLN A 83 14.173 21.809 -6.949 1.00 2.25 C ATOM 1165 CD GLN A 83 15.062 23.024 -6.770 1.00 53.54 C ATOM 1166 OE1 GLN A 83 14.697 24.136 -7.155 1.00 64.02 O ATOM 1167 NE2 GLN A 83 16.235 22.819 -6.184 1.00 44.31 N ATOM 0 H GLN A 83 11.370 20.864 -6.737 1.00 31.42 H new ATOM 0 HA GLN A 83 12.562 20.857 -4.030 1.00 43.23 H new ATOM 0 HB2 GLN A 83 14.704 21.366 -4.924 1.00 5.33 H new ATOM 0 HB3 GLN A 83 14.127 19.983 -5.833 1.00 5.33 H new ATOM 0 HG2 GLN A 83 14.618 21.144 -7.689 1.00 2.25 H new ATOM 0 HG3 GLN A 83 13.207 22.125 -7.344 1.00 2.25 H new ATOM 0 HE21 GLN A 83 16.497 21.881 -5.881 1.00 44.31 H new ATOM 0 HE22 GLN A 83 16.875 23.600 -6.037 1.00 44.31 H new ATOM 1176 N GLY A 84 12.798 23.443 -4.080 1.00 50.25 N ATOM 1177 CA GLY A 84 12.528 24.864 -3.962 1.00 3.21 C ATOM 1178 C GLY A 84 13.796 25.687 -3.845 1.00 51.13 C ATOM 1179 O GLY A 84 14.878 25.144 -3.622 1.00 50.50 O ATOM 0 H GLY A 84 13.459 23.074 -3.396 1.00 50.25 H new ATOM 0 HA2 GLY A 84 11.962 25.197 -4.832 1.00 3.21 H new ATOM 0 HA3 GLY A 84 11.902 25.040 -3.087 1.00 3.21 H new ATOM 1183 N SER A 85 13.663 27.001 -3.998 1.00 70.24 N ATOM 1184 CA SER A 85 14.808 27.900 -3.914 1.00 71.25 C ATOM 1185 C SER A 85 14.408 29.231 -3.286 1.00 2.31 C ATOM 1186 O SER A 85 13.291 29.713 -3.479 1.00 45.14 O ATOM 1187 CB SER A 85 15.400 28.137 -5.305 1.00 61.20 C ATOM 1188 OG SER A 85 14.398 28.071 -6.304 1.00 74.23 O ATOM 0 H SER A 85 12.774 27.466 -4.181 1.00 70.24 H new ATOM 0 HA SER A 85 15.561 27.431 -3.281 1.00 71.25 H new ATOM 0 HB2 SER A 85 15.885 29.113 -5.336 1.00 61.20 H new ATOM 0 HB3 SER A 85 16.170 27.392 -5.508 1.00 61.20 H new ATOM 0 HG SER A 85 14.802 28.227 -7.183 1.00 74.23 H new ATOM 1194 N THR A 86 15.329 29.822 -2.531 1.00 2.41 N ATOM 1195 CA THR A 86 15.074 31.097 -1.872 1.00 43.11 C ATOM 1196 C THR A 86 16.339 31.946 -1.809 1.00 52.13 C ATOM 1197 O THR A 86 17.436 31.428 -1.601 1.00 0.12 O ATOM 1198 CB THR A 86 14.535 30.893 -0.444 1.00 0.43 C ATOM 1199 OG1 THR A 86 13.691 29.738 -0.399 1.00 32.30 O ATOM 1200 CG2 THR A 86 13.756 32.115 0.020 1.00 70.00 C ATOM 0 H THR A 86 16.258 29.438 -2.361 1.00 2.41 H new ATOM 0 HA THR A 86 14.321 31.615 -2.466 1.00 43.11 H new ATOM 0 HB THR A 86 15.384 30.748 0.224 1.00 0.43 H new ATOM 0 HG1 THR A 86 13.613 29.426 0.527 1.00 32.30 H new ATOM 0 HG21 THR A 86 13.385 31.948 1.031 1.00 70.00 H new ATOM 0 HG22 THR A 86 14.410 32.987 0.013 1.00 70.00 H new ATOM 0 HG23 THR A 86 12.915 32.287 -0.651 1.00 70.00 H new ATOM 1208 N ASP A 87 16.178 33.252 -1.990 1.00 43.33 N ATOM 1209 CA ASP A 87 17.308 34.174 -1.952 1.00 52.04 C ATOM 1210 C ASP A 87 17.095 35.251 -0.893 1.00 21.21 C ATOM 1211 O ASP A 87 16.091 35.963 -0.910 1.00 0.14 O ATOM 1212 CB ASP A 87 17.511 34.822 -3.323 1.00 13.33 C ATOM 1213 CG ASP A 87 18.561 35.915 -3.296 1.00 43.04 C ATOM 1214 OD1 ASP A 87 19.758 35.591 -3.446 1.00 32.22 O ATOM 1215 OD2 ASP A 87 18.187 37.094 -3.125 1.00 41.44 O ATOM 0 H ASP A 87 15.277 33.696 -2.164 1.00 43.33 H new ATOM 0 HA ASP A 87 18.201 33.606 -1.692 1.00 52.04 H new ATOM 0 HB2 ASP A 87 17.804 34.058 -4.043 1.00 13.33 H new ATOM 0 HB3 ASP A 87 16.565 35.239 -3.668 1.00 13.33 H new ATOM 1220 N PHE A 88 18.046 35.363 0.028 1.00 2.24 N ATOM 1221 CA PHE A 88 17.962 36.352 1.097 1.00 22.43 C ATOM 1222 C PHE A 88 19.260 37.147 1.206 1.00 71.21 C ATOM 1223 O PHE A 88 20.351 36.603 1.035 1.00 43.13 O ATOM 1224 CB PHE A 88 17.657 35.667 2.431 1.00 22.11 C ATOM 1225 CG PHE A 88 18.834 34.937 3.013 1.00 11.23 C ATOM 1226 CD1 PHE A 88 19.313 33.781 2.418 1.00 15.13 C ATOM 1227 CD2 PHE A 88 19.461 35.407 4.156 1.00 42.32 C ATOM 1228 CE1 PHE A 88 20.395 33.107 2.951 1.00 4.42 C ATOM 1229 CE2 PHE A 88 20.545 34.738 4.693 1.00 54.20 C ATOM 1230 CZ PHE A 88 21.012 33.586 4.091 1.00 54.23 C ATOM 0 H PHE A 88 18.884 34.782 0.056 1.00 2.24 H new ATOM 0 HA PHE A 88 17.153 37.042 0.857 1.00 22.43 H new ATOM 0 HB2 PHE A 88 17.315 36.416 3.145 1.00 22.11 H new ATOM 0 HB3 PHE A 88 16.837 34.963 2.290 1.00 22.11 H new ATOM 0 HD1 PHE A 88 18.835 33.402 1.527 1.00 15.13 H new ATOM 0 HD2 PHE A 88 19.099 36.306 4.633 1.00 42.32 H new ATOM 0 HE1 PHE A 88 20.758 32.207 2.477 1.00 4.42 H new ATOM 0 HE2 PHE A 88 21.026 35.116 5.583 1.00 54.20 H new ATOM 0 HZ PHE A 88 21.857 33.061 4.510 1.00 54.23 H new ATOM 1240 N LYS A 89 19.133 38.438 1.491 1.00 2.32 N ATOM 1241 CA LYS A 89 20.294 39.311 1.624 1.00 61.50 C ATOM 1242 C LYS A 89 20.349 39.935 3.014 1.00 2.15 C ATOM 1243 O LYS A 89 19.495 40.744 3.377 1.00 43.52 O ATOM 1244 CB LYS A 89 20.256 40.410 0.560 1.00 14.35 C ATOM 1245 CG LYS A 89 21.303 41.491 0.765 1.00 0.11 C ATOM 1246 CD LYS A 89 21.921 41.926 -0.553 1.00 74.15 C ATOM 1247 CE LYS A 89 21.664 43.399 -0.830 1.00 4.41 C ATOM 1248 NZ LYS A 89 21.392 43.654 -2.272 1.00 1.14 N ATOM 0 H LYS A 89 18.237 38.904 1.635 1.00 2.32 H new ATOM 0 HA LYS A 89 21.190 38.707 1.481 1.00 61.50 H new ATOM 0 HB2 LYS A 89 20.399 39.959 -0.422 1.00 14.35 H new ATOM 0 HB3 LYS A 89 19.267 40.869 0.559 1.00 14.35 H new ATOM 0 HG2 LYS A 89 20.848 42.351 1.256 1.00 0.11 H new ATOM 0 HG3 LYS A 89 22.084 41.121 1.429 1.00 0.11 H new ATOM 0 HD2 LYS A 89 22.995 41.741 -0.531 1.00 74.15 H new ATOM 0 HD3 LYS A 89 21.510 41.325 -1.364 1.00 74.15 H new ATOM 0 HE2 LYS A 89 20.816 43.738 -0.235 1.00 4.41 H new ATOM 0 HE3 LYS A 89 22.528 43.984 -0.515 1.00 4.41 H new ATOM 0 HZ1 LYS A 89 21.222 44.669 -2.419 1.00 1.14 H new ATOM 0 HZ2 LYS A 89 22.211 43.355 -2.838 1.00 1.14 H new ATOM 0 HZ3 LYS A 89 20.552 43.116 -2.567 1.00 1.14 H new ATOM 1262 N VAL A 90 21.360 39.555 3.789 1.00 2.04 N ATOM 1263 CA VAL A 90 21.528 40.080 5.139 1.00 21.12 C ATOM 1264 C VAL A 90 22.434 41.306 5.143 1.00 23.14 C ATOM 1265 O VAL A 90 23.652 41.193 5.000 1.00 62.21 O ATOM 1266 CB VAL A 90 22.117 39.017 6.086 1.00 72.24 C ATOM 1267 CG1 VAL A 90 21.909 39.420 7.537 1.00 11.34 C ATOM 1268 CG2 VAL A 90 21.497 37.655 5.808 1.00 4.51 C ATOM 0 H VAL A 90 22.075 38.885 3.505 1.00 2.04 H new ATOM 0 HA VAL A 90 20.537 40.363 5.494 1.00 21.12 H new ATOM 0 HB VAL A 90 23.189 38.947 5.904 1.00 72.24 H new ATOM 0 HG11 VAL A 90 22.332 38.657 8.191 1.00 11.34 H new ATOM 0 HG12 VAL A 90 22.404 40.373 7.724 1.00 11.34 H new ATOM 0 HG13 VAL A 90 20.842 39.519 7.738 1.00 11.34 H new ATOM 0 HG21 VAL A 90 21.924 36.916 6.486 1.00 4.51 H new ATOM 0 HG22 VAL A 90 20.419 37.708 5.961 1.00 4.51 H new ATOM 0 HG23 VAL A 90 21.703 37.365 4.778 1.00 4.51 H new ATOM 1278 N THR A 91 21.832 42.480 5.309 1.00 22.43 N ATOM 1279 CA THR A 91 22.584 43.728 5.332 1.00 61.13 C ATOM 1280 C THR A 91 22.128 44.624 6.478 1.00 64.32 C ATOM 1281 O THR A 91 20.946 44.657 6.818 1.00 3.14 O ATOM 1282 CB THR A 91 22.437 44.496 4.005 1.00 51.22 C ATOM 1283 OG1 THR A 91 22.930 45.832 4.155 1.00 41.11 O ATOM 1284 CG2 THR A 91 20.983 44.534 3.560 1.00 54.21 C ATOM 0 H THR A 91 20.825 42.592 5.429 1.00 22.43 H new ATOM 0 HA THR A 91 23.631 43.463 5.476 1.00 61.13 H new ATOM 0 HB THR A 91 23.020 43.977 3.244 1.00 51.22 H new ATOM 0 HG1 THR A 91 22.835 46.313 3.307 1.00 41.11 H new ATOM 0 HG21 THR A 91 20.904 45.082 2.621 1.00 54.21 H new ATOM 0 HG22 THR A 91 20.619 43.516 3.418 1.00 54.21 H new ATOM 0 HG23 THR A 91 20.382 45.031 4.321 1.00 54.21 H new ATOM 1292 N GLN A 92 23.073 45.348 7.068 1.00 3.40 N ATOM 1293 CA GLN A 92 22.767 46.245 8.176 1.00 22.15 C ATOM 1294 C GLN A 92 21.853 47.378 7.723 1.00 13.24 C ATOM 1295 O GLN A 92 21.867 48.468 8.296 1.00 11.42 O ATOM 1296 CB GLN A 92 24.056 46.819 8.767 1.00 64.03 C ATOM 1297 CG GLN A 92 24.853 47.662 7.784 1.00 13.20 C ATOM 1298 CD GLN A 92 25.651 48.756 8.466 1.00 32.33 C ATOM 1299 OE1 GLN A 92 26.879 48.783 8.390 1.00 45.31 O ATOM 1300 NE2 GLN A 92 24.955 49.665 9.139 1.00 51.13 N ATOM 0 H GLN A 92 24.056 45.331 6.798 1.00 3.40 H new ATOM 0 HA GLN A 92 22.249 45.669 8.943 1.00 22.15 H new ATOM 0 HB2 GLN A 92 23.808 47.427 9.637 1.00 64.03 H new ATOM 0 HB3 GLN A 92 24.681 45.999 9.120 1.00 64.03 H new ATOM 0 HG2 GLN A 92 25.531 47.017 7.225 1.00 13.20 H new ATOM 0 HG3 GLN A 92 24.172 48.111 7.061 1.00 13.20 H new ATOM 0 HE21 GLN A 92 23.937 49.604 9.176 1.00 51.13 H new ATOM 0 HE22 GLN A 92 25.438 50.424 9.619 1.00 51.13 H new TER 1309 GLN A 92