USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=27 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0852 (180deg=0) USER MOD Single : A 7 SER OG : rot -35:sc= -0.503 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 124:sc= 1.02 USER MOD Single : A 14 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.99) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 16 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.888 K(o=-0.89,f=-0.017) USER MOD Single : A 24 ASN : amide:sc= -0.994 K(o=-0.99,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -22:sc= 0.44! USER MOD Single : A 34 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.13! C(o=-4.1!,f=-2.5!) 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= -1.75 K(o=-1.8,f=-0.45) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -1.57 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 THR OG1 : rot -156:sc= 0.00223 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= -3.75 K(o=-3.8,f=-5.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.107 USER MOD Single : A 62 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-0.13) USER MOD Single : A 66 SER OG : rot -47:sc= 1.04 USER MOD Single : A 67 THR OG1 : rot -54:sc= -0.41 USER MOD Single : A 69 ASN : amide:sc= -1.84 K(o=-1.8,f=-1.2) USER MOD Single : A 70 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 72 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.909 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 170:sc= -1.12 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= -0.0522 K(o=-0.052,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.813 1.330 -1.439 1.00 32.35 C ATOM 4 O MET A 1 2.463 2.346 -0.839 1.00 4.45 O ATOM 5 CB MET A 1 1.171 -0.276 -2.432 1.00 45.33 C ATOM 6 CG MET A 1 1.002 -1.755 -2.740 1.00 53.54 C ATOM 7 SD MET A 1 -0.481 -2.454 -1.991 1.00 31.54 S ATOM 8 CE MET A 1 -1.504 -2.711 -3.438 1.00 62.34 C ATOM 0 H1 MET A 1 0.379 -0.383 -0.177 1.00 0.00 H new ATOM 0 H2 MET A 1 1.814 -0.589 0.706 1.00 0.00 H new ATOM 0 H3 MET A 1 1.249 0.973 0.357 1.00 0.00 H new ATOM 0 HA MET A 1 2.840 -0.792 -1.179 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.192 0.159 -2.231 1.00 45.33 H new ATOM 0 HB3 MET A 1 1.569 0.227 -3.313 1.00 45.33 H new ATOM 0 HG2 MET A 1 0.959 -1.895 -3.820 1.00 53.54 H new ATOM 0 HG3 MET A 1 1.876 -2.299 -2.382 1.00 53.54 H new ATOM 0 HE1 MET A 1 -2.459 -3.141 -3.137 1.00 62.34 H new ATOM 0 HE2 MET A 1 -1.676 -1.757 -3.936 1.00 62.34 H new ATOM 0 HE3 MET A 1 -1.000 -3.392 -4.124 1.00 62.34 H new ATOM 18 N PRO A 2 3.843 1.325 -2.298 1.00 14.21 N ATOM 19 CA PRO A 2 4.633 2.524 -2.593 1.00 12.22 C ATOM 20 C PRO A 2 3.844 3.556 -3.391 1.00 51.51 C ATOM 21 O PRO A 2 2.863 3.224 -4.056 1.00 23.32 O ATOM 22 CB PRO A 2 5.800 1.984 -3.423 1.00 1.41 C ATOM 23 CG PRO A 2 5.278 0.735 -4.044 1.00 14.02 C ATOM 24 CD PRO A 2 4.315 0.149 -3.048 1.00 54.44 C ATOM 0 HA PRO A 2 4.942 3.043 -1.685 1.00 12.22 H new ATOM 0 HB2 PRO A 2 6.112 2.702 -4.181 1.00 1.41 H new ATOM 0 HB3 PRO A 2 6.670 1.782 -2.798 1.00 1.41 H new ATOM 0 HG2 PRO A 2 4.780 0.948 -4.990 1.00 14.02 H new ATOM 0 HG3 PRO A 2 6.088 0.038 -4.260 1.00 14.02 H new ATOM 0 HD2 PRO A 2 3.493 -0.370 -3.541 1.00 54.44 H new ATOM 0 HD3 PRO A 2 4.803 -0.575 -2.395 1.00 54.44 H new ATOM 32 N ALA A 3 4.279 4.810 -3.321 1.00 50.31 N ATOM 33 CA ALA A 3 3.615 5.891 -4.040 1.00 34.44 C ATOM 34 C ALA A 3 4.631 6.832 -4.677 1.00 14.53 C ATOM 35 O ALA A 3 5.838 6.656 -4.520 1.00 23.21 O ATOM 36 CB ALA A 3 2.694 6.659 -3.103 1.00 41.42 C ATOM 0 H ALA A 3 5.088 5.103 -2.774 1.00 50.31 H new ATOM 0 HA ALA A 3 3.018 5.451 -4.839 1.00 34.44 H new ATOM 0 HB1 ALA A 3 2.205 7.463 -3.652 1.00 41.42 H new ATOM 0 HB2 ALA A 3 1.940 5.983 -2.700 1.00 41.42 H new ATOM 0 HB3 ALA A 3 3.277 7.081 -2.285 1.00 41.42 H new ATOM 42 N ALA A 4 4.133 7.833 -5.396 1.00 61.25 N ATOM 43 CA ALA A 4 4.998 8.803 -6.056 1.00 51.12 C ATOM 44 C ALA A 4 4.538 10.229 -5.775 1.00 12.44 C ATOM 45 O ALA A 4 3.353 10.545 -5.893 1.00 2.41 O ATOM 46 CB ALA A 4 5.034 8.544 -7.555 1.00 41.42 C ATOM 0 H ALA A 4 3.135 7.993 -5.536 1.00 61.25 H new ATOM 0 HA ALA A 4 6.005 8.688 -5.654 1.00 51.12 H new ATOM 0 HB1 ALA A 4 5.684 9.276 -8.035 1.00 41.42 H new ATOM 0 HB2 ALA A 4 5.417 7.541 -7.742 1.00 41.42 H new ATOM 0 HB3 ALA A 4 4.027 8.630 -7.963 1.00 41.42 H new ATOM 52 N LEU A 5 5.481 11.087 -5.401 1.00 12.22 N ATOM 53 CA LEU A 5 5.172 12.481 -5.101 1.00 51.13 C ATOM 54 C LEU A 5 4.509 13.161 -6.295 1.00 71.42 C ATOM 55 O LEU A 5 4.294 12.539 -7.336 1.00 43.42 O ATOM 56 CB LEU A 5 6.446 13.234 -4.714 1.00 14.42 C ATOM 57 CG LEU A 5 7.008 12.931 -3.325 1.00 1.54 C ATOM 58 CD1 LEU A 5 8.350 12.224 -3.435 1.00 33.34 C ATOM 59 CD2 LEU A 5 7.143 14.212 -2.513 1.00 64.32 C ATOM 0 H LEU A 5 6.466 10.842 -5.298 1.00 12.22 H new ATOM 0 HA LEU A 5 4.476 12.501 -4.262 1.00 51.13 H new ATOM 0 HB2 LEU A 5 7.216 13.009 -5.452 1.00 14.42 H new ATOM 0 HB3 LEU A 5 6.246 14.304 -4.778 1.00 14.42 H new ATOM 0 HG LEU A 5 6.313 12.269 -2.809 1.00 1.54 H new ATOM 0 HD11 LEU A 5 8.735 12.016 -2.437 1.00 33.34 H new ATOM 0 HD12 LEU A 5 8.224 11.287 -3.978 1.00 33.34 H new ATOM 0 HD13 LEU A 5 9.054 12.861 -3.970 1.00 33.34 H new ATOM 0 HD21 LEU A 5 7.544 13.977 -1.527 1.00 64.32 H new ATOM 0 HD22 LEU A 5 7.817 14.898 -3.025 1.00 64.32 H new ATOM 0 HD23 LEU A 5 6.164 14.679 -2.404 1.00 64.32 H new ATOM 71 N VAL A 6 4.188 14.441 -6.138 1.00 4.10 N ATOM 72 CA VAL A 6 3.553 15.207 -7.204 1.00 30.51 C ATOM 73 C VAL A 6 3.924 16.683 -7.116 1.00 73.35 C ATOM 74 O VAL A 6 4.358 17.284 -8.099 1.00 73.42 O ATOM 75 CB VAL A 6 2.020 15.070 -7.156 1.00 34.13 C ATOM 76 CG1 VAL A 6 1.372 15.938 -8.224 1.00 21.20 C ATOM 77 CG2 VAL A 6 1.609 13.614 -7.319 1.00 45.10 C ATOM 0 H VAL A 6 4.357 14.970 -5.282 1.00 4.10 H new ATOM 0 HA VAL A 6 3.917 14.800 -8.147 1.00 30.51 H new ATOM 0 HB VAL A 6 1.673 15.415 -6.182 1.00 34.13 H new ATOM 0 HG11 VAL A 6 0.289 15.828 -8.174 1.00 21.20 H new ATOM 0 HG12 VAL A 6 1.639 16.981 -8.056 1.00 21.20 H new ATOM 0 HG13 VAL A 6 1.724 15.628 -9.208 1.00 21.20 H new ATOM 0 HG21 VAL A 6 0.522 13.536 -7.283 1.00 45.10 H new ATOM 0 HG22 VAL A 6 1.968 13.240 -8.278 1.00 45.10 H new ATOM 0 HG23 VAL A 6 2.042 13.021 -6.513 1.00 45.10 H new ATOM 87 N SER A 7 3.750 17.262 -5.933 1.00 21.33 N ATOM 88 CA SER A 7 4.063 18.669 -5.717 1.00 3.50 C ATOM 89 C SER A 7 4.223 18.969 -4.230 1.00 21.35 C ATOM 90 O SER A 7 3.844 18.163 -3.379 1.00 61.21 O ATOM 91 CB SER A 7 2.967 19.555 -6.312 1.00 35.21 C ATOM 92 OG SER A 7 2.547 19.068 -7.575 1.00 22.21 O ATOM 0 H SER A 7 3.394 16.778 -5.109 1.00 21.33 H new ATOM 0 HA SER A 7 5.007 18.886 -6.217 1.00 3.50 H new ATOM 0 HB2 SER A 7 2.116 19.592 -5.632 1.00 35.21 H new ATOM 0 HB3 SER A 7 3.336 20.575 -6.417 1.00 35.21 H new ATOM 0 HG SER A 7 3.315 18.688 -8.051 1.00 22.21 H new ATOM 98 N ILE A 8 4.787 20.132 -3.924 1.00 13.51 N ATOM 99 CA ILE A 8 4.996 20.539 -2.540 1.00 1.30 C ATOM 100 C ILE A 8 4.643 22.009 -2.340 1.00 1.23 C ATOM 101 O ILE A 8 4.894 22.843 -3.210 1.00 61.30 O ATOM 102 CB ILE A 8 6.454 20.308 -2.100 1.00 13.44 C ATOM 103 CG1 ILE A 8 7.416 21.025 -3.049 1.00 71.35 C ATOM 104 CG2 ILE A 8 6.762 18.819 -2.048 1.00 51.43 C ATOM 105 CD1 ILE A 8 8.870 20.875 -2.662 1.00 45.12 C ATOM 0 H ILE A 8 5.108 20.809 -4.616 1.00 13.51 H new ATOM 0 HA ILE A 8 4.338 19.923 -1.927 1.00 1.30 H new ATOM 0 HB ILE A 8 6.586 20.721 -1.100 1.00 13.44 H new ATOM 0 HG12 ILE A 8 7.275 20.637 -4.058 1.00 71.35 H new ATOM 0 HG13 ILE A 8 7.163 22.085 -3.077 1.00 71.35 H new ATOM 0 HG21 ILE A 8 7.796 18.672 -1.736 1.00 51.43 H new ATOM 0 HG22 ILE A 8 6.095 18.334 -1.335 1.00 51.43 H new ATOM 0 HG23 ILE A 8 6.616 18.383 -3.036 1.00 51.43 H new ATOM 0 HD11 ILE A 8 9.494 21.409 -3.379 1.00 45.12 H new ATOM 0 HD12 ILE A 8 9.026 21.289 -1.666 1.00 45.12 H new ATOM 0 HD13 ILE A 8 9.139 19.819 -2.662 1.00 45.12 H new ATOM 117 N SER A 9 4.061 22.320 -1.186 1.00 52.40 N ATOM 118 CA SER A 9 3.671 23.690 -0.871 1.00 63.04 C ATOM 119 C SER A 9 4.739 24.378 -0.027 1.00 4.11 C ATOM 120 O SER A 9 4.881 24.099 1.164 1.00 52.41 O ATOM 121 CB SER A 9 2.332 23.705 -0.132 1.00 22.45 C ATOM 122 OG SER A 9 1.336 24.363 -0.894 1.00 13.54 O ATOM 0 H SER A 9 3.849 21.642 -0.454 1.00 52.40 H new ATOM 0 HA SER A 9 3.566 24.236 -1.808 1.00 63.04 H new ATOM 0 HB2 SER A 9 2.017 22.683 0.078 1.00 22.45 H new ATOM 0 HB3 SER A 9 2.449 24.206 0.829 1.00 22.45 H new ATOM 0 HG SER A 9 0.489 24.357 -0.400 1.00 13.54 H new ATOM 128 N VAL A 10 5.490 25.279 -0.653 1.00 12.43 N ATOM 129 CA VAL A 10 6.545 26.009 0.040 1.00 51.31 C ATOM 130 C VAL A 10 6.311 27.514 -0.032 1.00 14.00 C ATOM 131 O VAL A 10 5.964 28.049 -1.085 1.00 43.11 O ATOM 132 CB VAL A 10 7.931 25.688 -0.551 1.00 34.22 C ATOM 133 CG1 VAL A 10 8.418 24.332 -0.062 1.00 41.32 C ATOM 134 CG2 VAL A 10 7.884 25.731 -2.071 1.00 24.13 C ATOM 0 H VAL A 10 5.387 25.521 -1.639 1.00 12.43 H new ATOM 0 HA VAL A 10 6.519 25.689 1.082 1.00 51.31 H new ATOM 0 HB VAL A 10 8.637 26.445 -0.211 1.00 34.22 H new ATOM 0 HG11 VAL A 10 9.398 24.122 -0.489 1.00 41.32 H new ATOM 0 HG12 VAL A 10 8.491 24.342 1.026 1.00 41.32 H new ATOM 0 HG13 VAL A 10 7.714 23.559 -0.371 1.00 41.32 H new ATOM 0 HG21 VAL A 10 8.871 25.502 -2.472 1.00 24.13 H new ATOM 0 HG22 VAL A 10 7.165 24.996 -2.434 1.00 24.13 H new ATOM 0 HG23 VAL A 10 7.582 26.726 -2.398 1.00 24.13 H new ATOM 144 N SER A 11 6.502 28.192 1.095 1.00 24.22 N ATOM 145 CA SER A 11 6.309 29.636 1.161 1.00 32.44 C ATOM 146 C SER A 11 7.627 30.348 1.447 1.00 44.04 C ATOM 147 O SER A 11 7.829 30.932 2.511 1.00 3.33 O ATOM 148 CB SER A 11 5.283 29.985 2.242 1.00 63.13 C ATOM 149 OG SER A 11 3.963 29.918 1.732 1.00 13.00 O ATOM 0 H SER A 11 6.790 27.765 1.975 1.00 24.22 H new ATOM 0 HA SER A 11 5.937 29.973 0.193 1.00 32.44 H new ATOM 0 HB2 SER A 11 5.387 29.298 3.082 1.00 63.13 H new ATOM 0 HB3 SER A 11 5.478 30.987 2.624 1.00 63.13 H new ATOM 0 HG SER A 11 3.326 30.143 2.442 1.00 13.00 H new ATOM 155 N PRO A 12 8.548 30.299 0.472 1.00 0.23 N ATOM 156 CA PRO A 12 9.863 30.935 0.594 1.00 65.43 C ATOM 157 C PRO A 12 9.776 32.457 0.570 1.00 65.34 C ATOM 158 O PRO A 12 8.830 33.027 0.026 1.00 33.12 O ATOM 159 CB PRO A 12 10.619 30.423 -0.635 1.00 24.40 C ATOM 160 CG PRO A 12 9.555 30.095 -1.625 1.00 45.20 C ATOM 161 CD PRO A 12 8.375 29.620 -0.823 1.00 4.40 C ATOM 0 HA PRO A 12 10.346 30.694 1.541 1.00 65.43 H new ATOM 0 HB2 PRO A 12 11.301 31.179 -1.023 1.00 24.40 H new ATOM 0 HB3 PRO A 12 11.219 29.546 -0.394 1.00 24.40 H new ATOM 0 HG2 PRO A 12 9.295 30.969 -2.222 1.00 45.20 H new ATOM 0 HG3 PRO A 12 9.891 29.324 -2.318 1.00 45.20 H new ATOM 0 HD2 PRO A 12 7.432 29.892 -1.296 1.00 4.40 H new ATOM 0 HD3 PRO A 12 8.375 28.536 -0.712 1.00 4.40 H new ATOM 169 N THR A 13 10.771 33.111 1.162 1.00 53.33 N ATOM 170 CA THR A 13 10.806 34.568 1.209 1.00 60.54 C ATOM 171 C THR A 13 12.000 35.114 0.433 1.00 35.15 C ATOM 172 O THR A 13 13.149 34.922 0.829 1.00 74.04 O ATOM 173 CB THR A 13 10.872 35.081 2.659 1.00 13.42 C ATOM 174 OG1 THR A 13 9.719 34.643 3.387 1.00 23.41 O ATOM 175 CG2 THR A 13 10.951 36.600 2.692 1.00 14.32 C ATOM 0 H THR A 13 11.563 32.655 1.615 1.00 53.33 H new ATOM 0 HA THR A 13 9.884 34.922 0.748 1.00 60.54 H new ATOM 0 HB THR A 13 11.771 34.675 3.124 1.00 13.42 H new ATOM 0 HG1 THR A 13 10.004 34.151 4.185 1.00 23.41 H new ATOM 0 HG21 THR A 13 10.997 36.940 3.727 1.00 14.32 H new ATOM 0 HG22 THR A 13 11.845 36.929 2.162 1.00 14.32 H new ATOM 0 HG23 THR A 13 10.068 37.021 2.211 1.00 14.32 H new ATOM 183 N ASN A 14 11.719 35.796 -0.672 1.00 41.11 N ATOM 184 CA ASN A 14 12.771 36.371 -1.503 1.00 71.11 C ATOM 185 C ASN A 14 12.914 37.867 -1.242 1.00 1.14 C ATOM 186 O ASN A 14 12.435 38.692 -2.019 1.00 15.30 O ATOM 187 CB ASN A 14 12.471 36.127 -2.983 1.00 74.14 C ATOM 188 CG ASN A 14 11.071 36.565 -3.369 1.00 50.03 C ATOM 189 OD1 ASN A 14 10.870 37.676 -3.861 1.00 34.40 O ATOM 190 ND2 ASN A 14 10.095 35.692 -3.147 1.00 65.21 N ATOM 0 H ASN A 14 10.773 35.964 -1.013 1.00 41.11 H new ATOM 0 HA ASN A 14 13.711 35.884 -1.244 1.00 71.11 H new ATOM 0 HB2 ASN A 14 13.198 36.665 -3.592 1.00 74.14 H new ATOM 0 HB3 ASN A 14 12.591 35.067 -3.205 1.00 74.14 H new ATOM 0 HD21 ASN A 14 9.133 35.931 -3.386 1.00 65.21 H new ATOM 0 HD22 ASN A 14 10.308 34.782 -2.737 1.00 65.21 H new ATOM 197 N SER A 15 13.578 38.209 -0.142 1.00 11.20 N ATOM 198 CA SER A 15 13.782 39.606 0.224 1.00 20.12 C ATOM 199 C SER A 15 15.134 39.797 0.906 1.00 74.23 C ATOM 200 O SER A 15 15.971 38.893 0.917 1.00 54.54 O ATOM 201 CB SER A 15 12.660 40.082 1.149 1.00 21.21 C ATOM 202 OG SER A 15 11.409 39.548 0.750 1.00 25.02 O ATOM 0 H SER A 15 13.984 37.538 0.511 1.00 11.20 H new ATOM 0 HA SER A 15 13.768 40.201 -0.689 1.00 20.12 H new ATOM 0 HB2 SER A 15 12.877 39.781 2.174 1.00 21.21 H new ATOM 0 HB3 SER A 15 12.614 41.171 1.139 1.00 21.21 H new ATOM 0 HG SER A 15 10.709 39.866 1.358 1.00 25.02 H new ATOM 208 N THR A 16 15.341 40.981 1.475 1.00 74.55 N ATOM 209 CA THR A 16 16.590 41.292 2.157 1.00 12.44 C ATOM 210 C THR A 16 16.337 41.716 3.600 1.00 62.51 C ATOM 211 O THR A 16 15.322 42.342 3.905 1.00 20.41 O ATOM 212 CB THR A 16 17.361 42.412 1.434 1.00 64.15 C ATOM 213 OG1 THR A 16 18.494 42.810 2.214 1.00 11.21 O ATOM 214 CG2 THR A 16 16.463 43.614 1.184 1.00 42.11 C ATOM 0 H THR A 16 14.659 41.740 1.477 1.00 74.55 H new ATOM 0 HA THR A 16 17.190 40.382 2.147 1.00 12.44 H new ATOM 0 HB THR A 16 17.700 42.026 0.473 1.00 64.15 H new ATOM 0 HG1 THR A 16 19.167 42.097 2.201 1.00 11.21 H new ATOM 0 HG21 THR A 16 17.030 44.392 0.672 1.00 42.11 H new ATOM 0 HG22 THR A 16 15.618 43.314 0.565 1.00 42.11 H new ATOM 0 HG23 THR A 16 16.097 43.999 2.136 1.00 42.11 H new ATOM 222 N VAL A 17 17.267 41.370 4.485 1.00 44.44 N ATOM 223 CA VAL A 17 17.146 41.716 5.896 1.00 41.43 C ATOM 224 C VAL A 17 18.464 42.250 6.446 1.00 20.31 C ATOM 225 O VAL A 17 19.535 41.945 5.923 1.00 24.21 O ATOM 226 CB VAL A 17 16.705 40.503 6.735 1.00 23.33 C ATOM 227 CG1 VAL A 17 15.415 39.914 6.186 1.00 31.33 C ATOM 228 CG2 VAL A 17 17.806 39.454 6.773 1.00 22.42 C ATOM 0 H VAL A 17 18.112 40.850 4.249 1.00 44.44 H new ATOM 0 HA VAL A 17 16.385 42.493 5.968 1.00 41.43 H new ATOM 0 HB VAL A 17 16.517 40.838 7.755 1.00 23.33 H new ATOM 0 HG11 VAL A 17 15.119 39.058 6.792 1.00 31.33 H new ATOM 0 HG12 VAL A 17 14.629 40.669 6.216 1.00 31.33 H new ATOM 0 HG13 VAL A 17 15.571 39.593 5.156 1.00 31.33 H new ATOM 0 HG21 VAL A 17 17.478 38.603 7.370 1.00 22.42 H new ATOM 0 HG22 VAL A 17 18.027 39.122 5.759 1.00 22.42 H new ATOM 0 HG23 VAL A 17 18.703 39.884 7.217 1.00 22.42 H new ATOM 238 N ALA A 18 18.377 43.047 7.505 1.00 0.54 N ATOM 239 CA ALA A 18 19.563 43.621 8.129 1.00 50.52 C ATOM 240 C ALA A 18 20.382 42.550 8.841 1.00 13.22 C ATOM 241 O ALA A 18 19.935 41.414 8.997 1.00 60.51 O ATOM 242 CB ALA A 18 19.167 44.721 9.103 1.00 2.02 C ATOM 0 H ALA A 18 17.497 43.310 7.949 1.00 0.54 H new ATOM 0 HA ALA A 18 20.184 44.053 7.344 1.00 50.52 H new ATOM 0 HB1 ALA A 18 20.062 45.141 9.562 1.00 2.02 H new ATOM 0 HB2 ALA A 18 18.632 45.505 8.568 1.00 2.02 H new ATOM 0 HB3 ALA A 18 18.523 44.306 9.878 1.00 2.02 H new ATOM 248 N LYS A 19 21.583 42.919 9.272 1.00 43.42 N ATOM 249 CA LYS A 19 22.465 41.991 9.969 1.00 65.25 C ATOM 250 C LYS A 19 21.736 41.309 11.121 1.00 21.54 C ATOM 251 O LYS A 19 21.215 41.971 12.017 1.00 34.25 O ATOM 252 CB LYS A 19 23.700 42.726 10.496 1.00 52.02 C ATOM 253 CG LYS A 19 24.972 41.898 10.438 1.00 33.25 C ATOM 254 CD LYS A 19 26.160 42.662 10.997 1.00 23.02 C ATOM 255 CE LYS A 19 27.457 41.888 10.813 1.00 51.54 C ATOM 256 NZ LYS A 19 28.139 41.631 12.111 1.00 11.22 N ATOM 0 H LYS A 19 21.968 43.856 9.151 1.00 43.42 H new ATOM 0 HA LYS A 19 22.781 41.227 9.259 1.00 65.25 H new ATOM 0 HB2 LYS A 19 23.844 43.638 9.917 1.00 52.02 H new ATOM 0 HB3 LYS A 19 23.520 43.028 11.528 1.00 52.02 H new ATOM 0 HG2 LYS A 19 24.833 40.976 11.002 1.00 33.25 H new ATOM 0 HG3 LYS A 19 25.175 41.613 9.406 1.00 33.25 H new ATOM 0 HD2 LYS A 19 26.238 43.629 10.500 1.00 23.02 H new ATOM 0 HD3 LYS A 19 26.000 42.860 12.057 1.00 23.02 H new ATOM 0 HE2 LYS A 19 27.247 40.939 10.319 1.00 51.54 H new ATOM 0 HE3 LYS A 19 28.124 42.448 10.157 1.00 51.54 H new ATOM 0 HZ1 LYS A 19 29.018 41.102 11.942 1.00 11.22 H new ATOM 0 HZ2 LYS A 19 28.363 42.537 12.571 1.00 11.22 H new ATOM 0 HZ3 LYS A 19 27.513 41.075 12.728 1.00 11.22 H new ATOM 270 N GLY A 20 21.705 39.979 11.092 1.00 13.54 N ATOM 271 CA GLY A 20 21.038 39.230 12.141 1.00 0.12 C ATOM 272 C GLY A 20 19.536 39.172 11.947 1.00 12.21 C ATOM 273 O GLY A 20 18.827 40.138 12.235 1.00 23.21 O ATOM 0 H GLY A 20 22.130 39.408 10.361 1.00 13.54 H new ATOM 0 HA2 GLY A 20 21.437 38.216 12.169 1.00 0.12 H new ATOM 0 HA3 GLY A 20 21.259 39.686 13.106 1.00 0.12 H new ATOM 277 N LEU A 21 19.048 38.038 11.456 1.00 13.51 N ATOM 278 CA LEU A 21 17.619 37.859 11.222 1.00 61.52 C ATOM 279 C LEU A 21 17.311 36.422 10.812 1.00 43.05 C ATOM 280 O LEU A 21 17.978 35.859 9.944 1.00 75.24 O ATOM 281 CB LEU A 21 17.134 38.825 10.140 1.00 11.11 C ATOM 282 CG LEU A 21 15.838 39.577 10.444 1.00 10.45 C ATOM 283 CD1 LEU A 21 16.042 41.076 10.288 1.00 55.42 C ATOM 284 CD2 LEU A 21 14.715 39.092 9.540 1.00 54.53 C ATOM 0 H LEU A 21 19.620 37.229 11.212 1.00 13.51 H new ATOM 0 HA LEU A 21 17.094 38.073 12.153 1.00 61.52 H new ATOM 0 HB2 LEU A 21 17.920 39.557 9.955 1.00 11.11 H new ATOM 0 HB3 LEU A 21 16.997 38.264 9.215 1.00 11.11 H new ATOM 0 HG LEU A 21 15.557 39.375 11.478 1.00 10.45 H new ATOM 0 HD11 LEU A 21 15.109 41.595 10.508 1.00 55.42 H new ATOM 0 HD12 LEU A 21 16.816 41.412 10.978 1.00 55.42 H new ATOM 0 HD13 LEU A 21 16.347 41.297 9.265 1.00 55.42 H new ATOM 0 HD21 LEU A 21 13.800 39.638 9.771 1.00 54.53 H new ATOM 0 HD22 LEU A 21 14.987 39.263 8.498 1.00 54.53 H new ATOM 0 HD23 LEU A 21 14.552 38.027 9.702 1.00 54.53 H new ATOM 296 N GLN A 22 16.297 35.837 11.440 1.00 31.12 N ATOM 297 CA GLN A 22 15.900 34.467 11.139 1.00 63.53 C ATOM 298 C GLN A 22 14.426 34.399 10.753 1.00 64.21 C ATOM 299 O GLN A 22 13.643 35.281 11.103 1.00 71.23 O ATOM 300 CB GLN A 22 16.167 33.560 12.341 1.00 21.34 C ATOM 301 CG GLN A 22 15.501 34.036 13.622 1.00 4.42 C ATOM 302 CD GLN A 22 16.503 34.466 14.676 1.00 63.22 C ATOM 303 OE1 GLN A 22 16.386 34.100 15.846 1.00 45.12 O ATOM 304 NE2 GLN A 22 17.496 35.246 14.266 1.00 43.24 N ATOM 0 H GLN A 22 15.735 36.290 12.161 1.00 31.12 H new ATOM 0 HA GLN A 22 16.494 34.121 10.293 1.00 63.53 H new ATOM 0 HB2 GLN A 22 15.817 32.554 12.111 1.00 21.34 H new ATOM 0 HB3 GLN A 22 17.243 33.493 12.504 1.00 21.34 H new ATOM 0 HG2 GLN A 22 14.838 34.871 13.394 1.00 4.42 H new ATOM 0 HG3 GLN A 22 14.879 33.236 14.023 1.00 4.42 H new ATOM 0 HE21 GLN A 22 17.554 35.525 13.287 1.00 43.24 H new ATOM 0 HE22 GLN A 22 18.201 35.566 14.930 1.00 43.24 H new ATOM 313 N GLU A 23 14.057 33.346 10.030 1.00 53.33 N ATOM 314 CA GLU A 23 12.676 33.165 9.596 1.00 44.33 C ATOM 315 C GLU A 23 12.289 31.689 9.615 1.00 42.41 C ATOM 316 O GLU A 23 13.116 30.817 9.355 1.00 23.42 O ATOM 317 CB GLU A 23 12.481 33.737 8.190 1.00 63.11 C ATOM 318 CG GLU A 23 11.109 34.350 7.967 1.00 1.22 C ATOM 319 CD GLU A 23 10.787 34.541 6.498 1.00 74.32 C ATOM 320 OE1 GLU A 23 10.289 33.582 5.871 1.00 33.12 O ATOM 321 OE2 GLU A 23 11.032 35.648 5.975 1.00 62.54 O ATOM 0 H GLU A 23 14.694 32.607 9.733 1.00 53.33 H new ATOM 0 HA GLU A 23 12.030 33.701 10.291 1.00 44.33 H new ATOM 0 HB2 GLU A 23 13.242 34.495 8.007 1.00 63.11 H new ATOM 0 HB3 GLU A 23 12.638 32.944 7.459 1.00 63.11 H new ATOM 0 HG2 GLU A 23 10.352 33.711 8.421 1.00 1.22 H new ATOM 0 HG3 GLU A 23 11.059 35.313 8.474 1.00 1.22 H new ATOM 328 N ASN A 24 11.025 31.419 9.925 1.00 3.31 N ATOM 329 CA ASN A 24 10.528 30.049 9.980 1.00 53.44 C ATOM 330 C ASN A 24 10.151 29.552 8.588 1.00 74.15 C ATOM 331 O ASN A 24 9.583 30.292 7.785 1.00 55.54 O ATOM 332 CB ASN A 24 9.317 29.961 10.910 1.00 14.44 C ATOM 333 CG ASN A 24 9.419 30.916 12.084 1.00 21.24 C ATOM 334 OD1 ASN A 24 9.226 32.123 11.936 1.00 21.33 O ATOM 335 ND2 ASN A 24 9.725 30.378 13.259 1.00 34.43 N ATOM 0 H ASN A 24 10.327 32.130 10.142 1.00 3.31 H new ATOM 0 HA ASN A 24 11.324 29.415 10.370 1.00 53.44 H new ATOM 0 HB2 ASN A 24 8.411 30.180 10.344 1.00 14.44 H new ATOM 0 HB3 ASN A 24 9.221 28.941 11.282 1.00 14.44 H new ATOM 0 HD21 ASN A 24 9.808 30.971 14.085 1.00 34.43 H new ATOM 0 HD22 ASN A 24 9.877 29.372 13.335 1.00 34.43 H new ATOM 342 N PHE A 25 10.470 28.292 8.309 1.00 51.43 N ATOM 343 CA PHE A 25 10.165 27.695 7.014 1.00 41.23 C ATOM 344 C PHE A 25 9.217 26.510 7.171 1.00 53.30 C ATOM 345 O PHE A 25 9.282 25.773 8.155 1.00 5.52 O ATOM 346 CB PHE A 25 11.453 27.244 6.321 1.00 75.03 C ATOM 347 CG PHE A 25 12.071 28.304 5.455 1.00 14.41 C ATOM 348 CD1 PHE A 25 11.643 28.488 4.150 1.00 40.01 C ATOM 349 CD2 PHE A 25 13.079 29.118 5.946 1.00 32.15 C ATOM 350 CE1 PHE A 25 12.211 29.463 3.351 1.00 32.51 C ATOM 351 CE2 PHE A 25 13.650 30.094 5.152 1.00 1.54 C ATOM 352 CZ PHE A 25 13.215 30.268 3.853 1.00 34.43 C ATOM 0 H PHE A 25 10.939 27.665 8.962 1.00 51.43 H new ATOM 0 HA PHE A 25 9.675 28.451 6.400 1.00 41.23 H new ATOM 0 HB2 PHE A 25 12.175 26.938 7.078 1.00 75.03 H new ATOM 0 HB3 PHE A 25 11.240 26.366 5.711 1.00 75.03 H new ATOM 0 HD1 PHE A 25 10.857 27.863 3.753 1.00 40.01 H new ATOM 0 HD2 PHE A 25 13.423 28.988 6.962 1.00 32.15 H new ATOM 0 HE1 PHE A 25 11.870 29.595 2.335 1.00 32.51 H new ATOM 0 HE2 PHE A 25 14.436 30.720 5.547 1.00 1.54 H new ATOM 0 HZ PHE A 25 13.659 31.031 3.231 1.00 34.43 H new ATOM 362 N LYS A 26 8.334 26.333 6.194 1.00 51.12 N ATOM 363 CA LYS A 26 7.371 25.238 6.221 1.00 42.41 C ATOM 364 C LYS A 26 7.112 24.706 4.815 1.00 44.50 C ATOM 365 O LYS A 26 6.874 25.476 3.884 1.00 24.34 O ATOM 366 CB LYS A 26 6.057 25.703 6.852 1.00 53.42 C ATOM 367 CG LYS A 26 5.700 24.963 8.129 1.00 74.10 C ATOM 368 CD LYS A 26 4.976 23.660 7.834 1.00 24.53 C ATOM 369 CE LYS A 26 5.063 22.696 9.008 1.00 4.10 C ATOM 370 NZ LYS A 26 3.756 22.554 9.707 1.00 61.11 N ATOM 0 H LYS A 26 8.265 26.934 5.373 1.00 51.12 H new ATOM 0 HA LYS A 26 7.791 24.433 6.823 1.00 42.41 H new ATOM 0 HB2 LYS A 26 6.124 26.769 7.067 1.00 53.42 H new ATOM 0 HB3 LYS A 26 5.251 25.574 6.130 1.00 53.42 H new ATOM 0 HG2 LYS A 26 6.607 24.756 8.696 1.00 74.10 H new ATOM 0 HG3 LYS A 26 5.071 25.597 8.754 1.00 74.10 H new ATOM 0 HD2 LYS A 26 3.930 23.867 7.608 1.00 24.53 H new ATOM 0 HD3 LYS A 26 5.408 23.195 6.947 1.00 24.53 H new ATOM 0 HE2 LYS A 26 5.393 21.720 8.653 1.00 4.10 H new ATOM 0 HE3 LYS A 26 5.815 23.049 9.713 1.00 4.10 H new ATOM 0 HZ1 LYS A 26 3.857 21.889 10.500 1.00 61.11 H new ATOM 0 HZ2 LYS A 26 3.453 23.481 10.068 1.00 61.11 H new ATOM 0 HZ3 LYS A 26 3.044 22.193 9.041 1.00 61.11 H new ATOM 384 N ALA A 27 7.159 23.386 4.669 1.00 43.43 N ATOM 385 CA ALA A 27 6.926 22.752 3.377 1.00 4.21 C ATOM 386 C ALA A 27 6.063 21.504 3.526 1.00 23.12 C ATOM 387 O ALA A 27 6.288 20.683 4.417 1.00 53.24 O ATOM 388 CB ALA A 27 8.251 22.404 2.713 1.00 14.44 C ATOM 0 H ALA A 27 7.356 22.735 5.429 1.00 43.43 H new ATOM 0 HA ALA A 27 6.390 23.459 2.744 1.00 4.21 H new ATOM 0 HB1 ALA A 27 8.062 21.931 1.749 1.00 14.44 H new ATOM 0 HB2 ALA A 27 8.833 23.313 2.563 1.00 14.44 H new ATOM 0 HB3 ALA A 27 8.808 21.718 3.351 1.00 14.44 H new ATOM 394 N THR A 28 5.074 21.366 2.649 1.00 33.11 N ATOM 395 CA THR A 28 4.176 20.219 2.684 1.00 34.34 C ATOM 396 C THR A 28 4.277 19.401 1.402 1.00 43.12 C ATOM 397 O THR A 28 4.115 19.930 0.303 1.00 63.53 O ATOM 398 CB THR A 28 2.713 20.657 2.886 1.00 74.51 C ATOM 399 OG1 THR A 28 2.643 21.695 3.870 1.00 60.24 O ATOM 400 CG2 THR A 28 1.851 19.481 3.320 1.00 33.34 C ATOM 0 H THR A 28 4.875 22.035 1.905 1.00 33.11 H new ATOM 0 HA THR A 28 4.484 19.603 3.529 1.00 34.34 H new ATOM 0 HB THR A 28 2.335 21.033 1.935 1.00 74.51 H new ATOM 0 HG1 THR A 28 1.710 21.969 3.991 1.00 60.24 H new ATOM 0 HG21 THR A 28 0.822 19.815 3.456 1.00 33.34 H new ATOM 0 HG22 THR A 28 1.882 18.705 2.555 1.00 33.34 H new ATOM 0 HG23 THR A 28 2.230 19.080 4.260 1.00 33.34 H new ATOM 408 N GLY A 29 4.546 18.107 1.550 1.00 42.33 N ATOM 409 CA GLY A 29 4.664 17.237 0.394 1.00 2.32 C ATOM 410 C GLY A 29 3.336 16.631 -0.013 1.00 40.01 C ATOM 411 O GLY A 29 2.509 16.304 0.838 1.00 33.32 O ATOM 0 H GLY A 29 4.684 17.646 2.449 1.00 42.33 H new ATOM 0 HA2 GLY A 29 5.073 17.803 -0.443 1.00 2.32 H new ATOM 0 HA3 GLY A 29 5.372 16.438 0.615 1.00 2.32 H new ATOM 415 N ILE A 30 3.130 16.482 -1.317 1.00 44.44 N ATOM 416 CA ILE A 30 1.893 15.912 -1.835 1.00 50.10 C ATOM 417 C ILE A 30 2.169 14.666 -2.669 1.00 72.31 C ATOM 418 O ILE A 30 3.116 14.628 -3.454 1.00 43.24 O ATOM 419 CB ILE A 30 1.120 16.930 -2.694 1.00 50.20 C ATOM 420 CG1 ILE A 30 0.694 18.129 -1.844 1.00 30.35 C ATOM 421 CG2 ILE A 30 -0.092 16.271 -3.335 1.00 32.35 C ATOM 422 CD1 ILE A 30 1.589 19.337 -2.011 1.00 31.35 C ATOM 0 H ILE A 30 3.804 16.748 -2.034 1.00 44.44 H new ATOM 0 HA ILE A 30 1.285 15.641 -0.972 1.00 50.10 H new ATOM 0 HB ILE A 30 1.777 17.286 -3.487 1.00 50.20 H new ATOM 0 HG12 ILE A 30 -0.328 18.405 -2.106 1.00 30.35 H new ATOM 0 HG13 ILE A 30 0.686 17.835 -0.794 1.00 30.35 H new ATOM 0 HG21 ILE A 30 -0.628 17.004 -3.939 1.00 32.35 H new ATOM 0 HG22 ILE A 30 0.235 15.447 -3.969 1.00 32.35 H new ATOM 0 HG23 ILE A 30 -0.753 15.889 -2.557 1.00 32.35 H new ATOM 0 HD11 ILE A 30 1.227 20.148 -1.379 1.00 31.35 H new ATOM 0 HD12 ILE A 30 2.607 19.078 -1.721 1.00 31.35 H new ATOM 0 HD13 ILE A 30 1.578 19.657 -3.053 1.00 31.35 H new ATOM 434 N PHE A 31 1.334 13.647 -2.495 1.00 35.13 N ATOM 435 CA PHE A 31 1.486 12.398 -3.232 1.00 44.10 C ATOM 436 C PHE A 31 0.361 12.225 -4.248 1.00 43.33 C ATOM 437 O PHE A 31 -0.721 12.793 -4.097 1.00 50.11 O ATOM 438 CB PHE A 31 1.504 11.211 -2.267 1.00 64.44 C ATOM 439 CG PHE A 31 2.768 11.112 -1.462 1.00 22.13 C ATOM 440 CD1 PHE A 31 2.992 11.965 -0.393 1.00 25.41 C ATOM 441 CD2 PHE A 31 3.732 10.167 -1.774 1.00 21.35 C ATOM 442 CE1 PHE A 31 4.154 11.876 0.351 1.00 42.32 C ATOM 443 CE2 PHE A 31 4.895 10.073 -1.033 1.00 44.32 C ATOM 444 CZ PHE A 31 5.107 10.930 0.029 1.00 23.15 C ATOM 0 H PHE A 31 0.544 13.662 -1.849 1.00 35.13 H new ATOM 0 HA PHE A 31 2.434 12.435 -3.769 1.00 44.10 H new ATOM 0 HB2 PHE A 31 0.656 11.292 -1.588 1.00 64.44 H new ATOM 0 HB3 PHE A 31 1.371 10.290 -2.834 1.00 64.44 H new ATOM 0 HD1 PHE A 31 2.250 12.708 -0.138 1.00 25.41 H new ATOM 0 HD2 PHE A 31 3.573 9.496 -2.605 1.00 21.35 H new ATOM 0 HE1 PHE A 31 4.316 12.545 1.183 1.00 42.32 H new ATOM 0 HE2 PHE A 31 5.637 9.330 -1.284 1.00 44.32 H new ATOM 0 HZ PHE A 31 6.017 10.860 0.607 1.00 23.15 H new ATOM 454 N THR A 32 0.625 11.437 -5.286 1.00 30.12 N ATOM 455 CA THR A 32 -0.363 11.190 -6.328 1.00 61.25 C ATOM 456 C THR A 32 -1.530 10.367 -5.796 1.00 32.31 C ATOM 457 O THR A 32 -2.564 10.240 -6.453 1.00 2.43 O ATOM 458 CB THR A 32 0.261 10.457 -7.531 1.00 71.11 C ATOM 459 OG1 THR A 32 -0.757 10.114 -8.478 1.00 13.41 O ATOM 460 CG2 THR A 32 0.986 9.198 -7.081 1.00 31.33 C ATOM 0 H THR A 32 1.515 10.959 -5.427 1.00 30.12 H new ATOM 0 HA THR A 32 -0.728 12.164 -6.654 1.00 61.25 H new ATOM 0 HB THR A 32 0.983 11.125 -8.000 1.00 71.11 H new ATOM 0 HG1 THR A 32 -1.627 10.086 -8.027 1.00 13.41 H new ATOM 0 HG21 THR A 32 1.418 8.698 -7.948 1.00 31.33 H new ATOM 0 HG22 THR A 32 1.779 9.465 -6.383 1.00 31.33 H new ATOM 0 HG23 THR A 32 0.281 8.528 -6.590 1.00 31.33 H new ATOM 468 N ASP A 33 -1.359 9.809 -4.602 1.00 41.24 N ATOM 469 CA ASP A 33 -2.400 8.999 -3.980 1.00 62.04 C ATOM 470 C ASP A 33 -3.362 9.871 -3.181 1.00 14.42 C ATOM 471 O ASP A 33 -4.098 9.379 -2.326 1.00 41.04 O ATOM 472 CB ASP A 33 -1.776 7.940 -3.070 1.00 61.23 C ATOM 473 CG ASP A 33 -2.751 6.834 -2.716 1.00 3.10 C ATOM 474 OD1 ASP A 33 -3.424 6.320 -3.634 1.00 4.43 O ATOM 475 OD2 ASP A 33 -2.841 6.483 -1.521 1.00 13.13 O ATOM 0 H ASP A 33 -0.509 9.903 -4.046 1.00 41.24 H new ATOM 0 HA ASP A 33 -2.961 8.502 -4.771 1.00 62.04 H new ATOM 0 HB2 ASP A 33 -0.905 7.509 -3.563 1.00 61.23 H new ATOM 0 HB3 ASP A 33 -1.421 8.415 -2.155 1.00 61.23 H new ATOM 480 N ASN A 34 -3.351 11.170 -3.464 1.00 64.11 N ATOM 481 CA ASN A 34 -4.222 12.112 -2.770 1.00 65.40 C ATOM 482 C ASN A 34 -3.882 12.173 -1.284 1.00 20.31 C ATOM 483 O ASN A 34 -4.666 12.673 -0.478 1.00 1.44 O ATOM 484 CB ASN A 34 -5.687 11.713 -2.954 1.00 13.32 C ATOM 485 CG ASN A 34 -5.970 11.173 -4.342 1.00 61.42 C ATOM 486 OD1 ASN A 34 -6.405 10.032 -4.499 1.00 72.24 O ATOM 487 ND2 ASN A 34 -5.722 11.992 -5.358 1.00 34.24 N ATOM 0 H ASN A 34 -2.748 11.594 -4.169 1.00 64.11 H new ATOM 0 HA ASN A 34 -4.065 13.101 -3.201 1.00 65.40 H new ATOM 0 HB2 ASN A 34 -5.951 10.958 -2.213 1.00 13.32 H new ATOM 0 HB3 ASN A 34 -6.323 12.579 -2.768 1.00 13.32 H new ATOM 0 HD21 ASN A 34 -5.892 11.683 -6.315 1.00 34.24 H new ATOM 0 HD22 ASN A 34 -5.362 12.930 -5.181 1.00 34.24 H new ATOM 494 N SER A 35 -2.708 11.660 -0.929 1.00 51.11 N ATOM 495 CA SER A 35 -2.265 11.653 0.460 1.00 15.23 C ATOM 496 C SER A 35 -1.141 12.662 0.677 1.00 35.23 C ATOM 497 O SER A 35 0.008 12.413 0.318 1.00 25.44 O ATOM 498 CB SER A 35 -1.795 10.254 0.861 1.00 63.22 C ATOM 499 OG SER A 35 -2.892 9.369 1.005 1.00 22.44 O ATOM 0 H SER A 35 -2.047 11.244 -1.585 1.00 51.11 H new ATOM 0 HA SER A 35 -3.111 11.937 1.086 1.00 15.23 H new ATOM 0 HB2 SER A 35 -1.109 9.868 0.107 1.00 63.22 H new ATOM 0 HB3 SER A 35 -1.242 10.308 1.799 1.00 63.22 H new ATOM 0 HG SER A 35 -2.565 8.481 1.260 1.00 22.44 H new ATOM 505 N ASN A 36 -1.484 13.802 1.268 1.00 51.23 N ATOM 506 CA ASN A 36 -0.505 14.850 1.533 1.00 62.02 C ATOM 507 C ASN A 36 0.087 14.700 2.931 1.00 11.30 C ATOM 508 O ASN A 36 -0.616 14.352 3.880 1.00 62.13 O ATOM 509 CB ASN A 36 -1.150 16.229 1.385 1.00 52.31 C ATOM 510 CG ASN A 36 -2.186 16.267 0.278 1.00 13.21 C ATOM 511 OD1 ASN A 36 -3.284 16.795 0.458 1.00 31.51 O ATOM 512 ND2 ASN A 36 -1.841 15.706 -0.875 1.00 1.12 N ATOM 0 H ASN A 36 -2.432 14.024 1.572 1.00 51.23 H new ATOM 0 HA ASN A 36 0.300 14.753 0.805 1.00 62.02 H new ATOM 0 HB2 ASN A 36 -1.619 16.511 2.328 1.00 52.31 H new ATOM 0 HB3 ASN A 36 -0.376 16.969 1.180 1.00 52.31 H new ATOM 0 HD21 ASN A 36 -2.497 15.701 -1.656 1.00 1.12 H new ATOM 0 HD22 ASN A 36 -0.920 15.280 -0.979 1.00 1.12 H new ATOM 519 N SER A 37 1.384 14.967 3.050 1.00 33.35 N ATOM 520 CA SER A 37 2.071 14.859 4.332 1.00 64.22 C ATOM 521 C SER A 37 2.983 16.060 4.562 1.00 42.22 C ATOM 522 O SER A 37 3.517 16.639 3.615 1.00 32.21 O ATOM 523 CB SER A 37 2.888 13.566 4.389 1.00 13.22 C ATOM 524 OG SER A 37 2.052 12.445 4.623 1.00 44.55 O ATOM 0 H SER A 37 1.979 15.259 2.275 1.00 33.35 H new ATOM 0 HA SER A 37 1.318 14.840 5.120 1.00 64.22 H new ATOM 0 HB2 SER A 37 3.428 13.432 3.452 1.00 13.22 H new ATOM 0 HB3 SER A 37 3.635 13.638 5.180 1.00 13.22 H new ATOM 0 HG SER A 37 2.597 11.631 4.653 1.00 44.55 H new ATOM 530 N ASP A 38 3.157 16.429 5.826 1.00 12.50 N ATOM 531 CA ASP A 38 4.005 17.561 6.182 1.00 13.24 C ATOM 532 C ASP A 38 5.448 17.114 6.392 1.00 41.10 C ATOM 533 O ASP A 38 5.719 16.208 7.181 1.00 41.31 O ATOM 534 CB ASP A 38 3.479 18.241 7.448 1.00 64.30 C ATOM 535 CG ASP A 38 3.703 17.402 8.691 1.00 72.21 C ATOM 536 OD1 ASP A 38 3.143 16.288 8.763 1.00 41.11 O ATOM 537 OD2 ASP A 38 4.437 17.860 9.592 1.00 73.50 O ATOM 0 H ASP A 38 2.722 15.961 6.621 1.00 12.50 H new ATOM 0 HA ASP A 38 3.981 18.275 5.359 1.00 13.24 H new ATOM 0 HB2 ASP A 38 3.972 19.206 7.570 1.00 64.30 H new ATOM 0 HB3 ASP A 38 2.413 18.440 7.334 1.00 64.30 H new ATOM 542 N ILE A 39 6.370 17.754 5.680 1.00 15.11 N ATOM 543 CA ILE A 39 7.785 17.422 5.788 1.00 13.05 C ATOM 544 C ILE A 39 7.985 15.921 5.968 1.00 11.14 C ATOM 545 O ILE A 39 8.786 15.484 6.795 1.00 2.54 O ATOM 546 CB ILE A 39 8.448 18.162 6.965 1.00 20.32 C ATOM 547 CG1 ILE A 39 7.773 17.777 8.283 1.00 10.34 C ATOM 548 CG2 ILE A 39 8.383 19.666 6.749 1.00 13.34 C ATOM 549 CD1 ILE A 39 8.406 18.421 9.497 1.00 64.01 C ATOM 0 H ILE A 39 6.162 18.505 5.022 1.00 15.11 H new ATOM 0 HA ILE A 39 8.256 17.740 4.858 1.00 13.05 H new ATOM 0 HB ILE A 39 9.496 17.868 7.016 1.00 20.32 H new ATOM 0 HG12 ILE A 39 6.721 18.059 8.239 1.00 10.34 H new ATOM 0 HG13 ILE A 39 7.808 16.694 8.397 1.00 10.34 H new ATOM 0 HG21 ILE A 39 8.856 20.175 7.589 1.00 13.34 H new ATOM 0 HG22 ILE A 39 8.905 19.924 5.828 1.00 13.34 H new ATOM 0 HG23 ILE A 39 7.341 19.978 6.675 1.00 13.34 H new ATOM 0 HD11 ILE A 39 7.876 18.103 10.395 1.00 64.01 H new ATOM 0 HD12 ILE A 39 9.451 18.119 9.566 1.00 64.01 H new ATOM 0 HD13 ILE A 39 8.347 19.506 9.406 1.00 64.01 H new ATOM 561 N THR A 40 7.252 15.134 5.187 1.00 62.22 N ATOM 562 CA THR A 40 7.349 13.681 5.259 1.00 41.43 C ATOM 563 C THR A 40 8.788 13.216 5.066 1.00 50.30 C ATOM 564 O THR A 40 9.265 12.332 5.777 1.00 1.05 O ATOM 565 CB THR A 40 6.457 13.006 4.200 1.00 21.22 C ATOM 566 OG1 THR A 40 6.672 11.590 4.210 1.00 13.01 O ATOM 567 CG2 THR A 40 6.750 13.558 2.813 1.00 14.44 C ATOM 0 H THR A 40 6.584 15.478 4.497 1.00 62.22 H new ATOM 0 HA THR A 40 7.006 13.390 6.252 1.00 41.43 H new ATOM 0 HB THR A 40 5.416 13.218 4.445 1.00 21.22 H new ATOM 0 HG1 THR A 40 6.100 11.168 3.535 1.00 13.01 H new ATOM 0 HG21 THR A 40 6.108 13.066 2.082 1.00 14.44 H new ATOM 0 HG22 THR A 40 6.558 14.631 2.800 1.00 14.44 H new ATOM 0 HG23 THR A 40 7.794 13.373 2.561 1.00 14.44 H new ATOM 575 N ASP A 41 9.475 13.817 4.101 1.00 52.42 N ATOM 576 CA ASP A 41 10.861 13.466 3.816 1.00 60.42 C ATOM 577 C ASP A 41 11.820 14.390 4.559 1.00 1.11 C ATOM 578 O ASP A 41 13.034 14.326 4.365 1.00 54.34 O ATOM 579 CB ASP A 41 11.128 13.536 2.312 1.00 65.45 C ATOM 580 CG ASP A 41 11.690 12.239 1.762 1.00 34.22 C ATOM 581 OD1 ASP A 41 12.910 12.013 1.903 1.00 40.20 O ATOM 582 OD2 ASP A 41 10.908 11.449 1.192 1.00 2.04 O ATOM 0 H ASP A 41 9.094 14.550 3.503 1.00 52.42 H new ATOM 0 HA ASP A 41 11.029 12.446 4.160 1.00 60.42 H new ATOM 0 HB2 ASP A 41 10.200 13.776 1.792 1.00 65.45 H new ATOM 0 HB3 ASP A 41 11.827 14.347 2.107 1.00 65.45 H new ATOM 587 N GLN A 42 11.267 15.249 5.410 1.00 73.45 N ATOM 588 CA GLN A 42 12.074 16.187 6.180 1.00 14.32 C ATOM 589 C GLN A 42 12.837 17.133 5.259 1.00 50.11 C ATOM 590 O GLN A 42 14.041 16.980 5.055 1.00 63.24 O ATOM 591 CB GLN A 42 13.053 15.432 7.080 1.00 60.42 C ATOM 592 CG GLN A 42 12.550 15.240 8.501 1.00 34.04 C ATOM 593 CD GLN A 42 11.081 14.867 8.555 1.00 1.52 C ATOM 594 OE1 GLN A 42 10.686 13.787 8.116 1.00 43.24 O ATOM 595 NE2 GLN A 42 10.263 15.762 9.096 1.00 15.30 N ATOM 0 H GLN A 42 10.264 15.314 5.583 1.00 73.45 H new ATOM 0 HA GLN A 42 11.402 16.779 6.802 1.00 14.32 H new ATOM 0 HB2 GLN A 42 13.258 14.456 6.641 1.00 60.42 H new ATOM 0 HB3 GLN A 42 13.999 15.973 7.108 1.00 60.42 H new ATOM 0 HG2 GLN A 42 13.137 14.461 8.988 1.00 34.04 H new ATOM 0 HG3 GLN A 42 12.709 16.159 9.066 1.00 34.04 H new ATOM 0 HE21 GLN A 42 10.634 16.645 9.448 1.00 15.30 H new ATOM 0 HE22 GLN A 42 9.264 15.567 9.160 1.00 15.30 H new ATOM 604 N VAL A 43 12.128 18.111 4.704 1.00 2.43 N ATOM 605 CA VAL A 43 12.739 19.083 3.805 1.00 61.11 C ATOM 606 C VAL A 43 13.995 19.689 4.421 1.00 30.43 C ATOM 607 O VAL A 43 13.926 20.408 5.418 1.00 4.24 O ATOM 608 CB VAL A 43 11.757 20.215 3.451 1.00 52.20 C ATOM 609 CG1 VAL A 43 11.148 20.808 4.713 1.00 75.45 C ATOM 610 CG2 VAL A 43 12.456 21.289 2.631 1.00 13.44 C ATOM 0 H VAL A 43 11.130 18.251 4.861 1.00 2.43 H new ATOM 0 HA VAL A 43 13.007 18.547 2.895 1.00 61.11 H new ATOM 0 HB VAL A 43 10.950 19.798 2.849 1.00 52.20 H new ATOM 0 HG11 VAL A 43 10.457 21.606 4.443 1.00 75.45 H new ATOM 0 HG12 VAL A 43 10.611 20.031 5.257 1.00 75.45 H new ATOM 0 HG13 VAL A 43 11.940 21.212 5.344 1.00 75.45 H new ATOM 0 HG21 VAL A 43 11.747 22.081 2.390 1.00 13.44 H new ATOM 0 HG22 VAL A 43 13.283 21.705 3.206 1.00 13.44 H new ATOM 0 HG23 VAL A 43 12.839 20.851 1.709 1.00 13.44 H new ATOM 620 N THR A 44 15.144 19.393 3.821 1.00 11.22 N ATOM 621 CA THR A 44 16.416 19.908 4.311 1.00 65.31 C ATOM 622 C THR A 44 16.787 21.212 3.615 1.00 53.25 C ATOM 623 O THR A 44 16.948 21.251 2.395 1.00 54.33 O ATOM 624 CB THR A 44 17.552 18.888 4.103 1.00 21.14 C ATOM 625 OG1 THR A 44 17.172 17.615 4.639 1.00 52.51 O ATOM 626 CG2 THR A 44 18.834 19.362 4.771 1.00 0.11 C ATOM 0 H THR A 44 15.219 18.799 2.995 1.00 11.22 H new ATOM 0 HA THR A 44 16.292 20.092 5.378 1.00 65.31 H new ATOM 0 HB THR A 44 17.732 18.792 3.032 1.00 21.14 H new ATOM 0 HG1 THR A 44 17.899 16.972 4.501 1.00 52.51 H new ATOM 0 HG21 THR A 44 19.622 18.626 4.611 1.00 0.11 H new ATOM 0 HG22 THR A 44 19.137 20.317 4.341 1.00 0.11 H new ATOM 0 HG23 THR A 44 18.663 19.484 5.841 1.00 0.11 H new ATOM 634 N TRP A 45 16.921 22.277 4.396 1.00 0.15 N ATOM 635 CA TRP A 45 17.274 23.584 3.854 1.00 55.14 C ATOM 636 C TRP A 45 18.767 23.851 4.004 1.00 41.15 C ATOM 637 O TRP A 45 19.388 23.427 4.978 1.00 21.23 O ATOM 638 CB TRP A 45 16.474 24.683 4.555 1.00 55.11 C ATOM 639 CG TRP A 45 15.010 24.378 4.658 1.00 13.33 C ATOM 640 CD1 TRP A 45 14.411 23.521 5.537 1.00 41.20 C ATOM 641 CD2 TRP A 45 13.961 24.927 3.853 1.00 41.41 C ATOM 642 NE1 TRP A 45 13.053 23.504 5.326 1.00 4.43 N ATOM 643 CE2 TRP A 45 12.752 24.359 4.299 1.00 11.13 C ATOM 644 CE3 TRP A 45 13.925 25.845 2.800 1.00 45.23 C ATOM 645 CZ2 TRP A 45 11.524 24.679 3.727 1.00 34.01 C ATOM 646 CZ3 TRP A 45 12.706 26.161 2.233 1.00 54.33 C ATOM 647 CH2 TRP A 45 11.518 25.580 2.697 1.00 2.45 C ATOM 0 H TRP A 45 16.791 22.262 5.408 1.00 0.15 H new ATOM 0 HA TRP A 45 17.029 23.587 2.792 1.00 55.14 H new ATOM 0 HB2 TRP A 45 16.878 24.834 5.556 1.00 55.11 H new ATOM 0 HB3 TRP A 45 16.605 25.620 4.014 1.00 55.11 H new ATOM 0 HD1 TRP A 45 14.928 22.942 6.287 1.00 41.20 H new ATOM 0 HE1 TRP A 45 12.379 22.945 5.849 1.00 4.43 H new ATOM 0 HE3 TRP A 45 14.835 26.299 2.436 1.00 45.23 H new ATOM 0 HZ2 TRP A 45 10.608 24.232 4.084 1.00 34.01 H new ATOM 0 HZ3 TRP A 45 12.668 26.868 1.418 1.00 54.33 H new ATOM 0 HH2 TRP A 45 10.580 25.848 2.233 1.00 2.45 H new ATOM 658 N ASP A 46 19.338 24.556 3.033 1.00 10.22 N ATOM 659 CA ASP A 46 20.760 24.881 3.059 1.00 75.35 C ATOM 660 C ASP A 46 21.013 26.258 2.453 1.00 24.32 C ATOM 661 O ASP A 46 20.333 26.669 1.514 1.00 74.13 O ATOM 662 CB ASP A 46 21.560 23.821 2.300 1.00 70.10 C ATOM 663 CG ASP A 46 22.857 23.464 2.999 1.00 10.44 C ATOM 664 OD1 ASP A 46 22.840 22.552 3.852 1.00 2.35 O ATOM 665 OD2 ASP A 46 23.889 24.097 2.693 1.00 60.10 O ATOM 0 H ASP A 46 18.838 24.913 2.219 1.00 10.22 H new ATOM 0 HA ASP A 46 21.086 24.896 4.099 1.00 75.35 H new ATOM 0 HB2 ASP A 46 20.952 22.923 2.187 1.00 70.10 H new ATOM 0 HB3 ASP A 46 21.780 24.185 1.296 1.00 70.10 H new ATOM 670 N SER A 47 21.997 26.966 2.999 1.00 50.24 N ATOM 671 CA SER A 47 22.338 28.299 2.516 1.00 54.23 C ATOM 672 C SER A 47 23.740 28.317 1.915 1.00 52.35 C ATOM 673 O SER A 47 24.624 27.581 2.352 1.00 42.40 O ATOM 674 CB SER A 47 22.246 29.316 3.655 1.00 54.42 C ATOM 675 OG SER A 47 21.231 30.273 3.403 1.00 2.33 O ATOM 0 H SER A 47 22.572 26.639 3.776 1.00 50.24 H new ATOM 0 HA SER A 47 21.625 28.570 1.738 1.00 54.23 H new ATOM 0 HB2 SER A 47 22.039 28.799 4.592 1.00 54.42 H new ATOM 0 HB3 SER A 47 23.205 29.821 3.775 1.00 54.42 H new ATOM 0 HG SER A 47 21.191 30.911 4.146 1.00 2.33 H new ATOM 681 N SER A 48 23.935 29.164 0.909 1.00 74.05 N ATOM 682 CA SER A 48 25.227 29.276 0.244 1.00 45.44 C ATOM 683 C SER A 48 26.333 29.576 1.252 1.00 53.22 C ATOM 684 O SER A 48 27.498 29.253 1.026 1.00 31.31 O ATOM 685 CB SER A 48 25.183 30.373 -0.822 1.00 71.14 C ATOM 686 OG SER A 48 26.427 30.485 -1.491 1.00 4.43 O ATOM 0 H SER A 48 23.214 29.782 0.537 1.00 74.05 H new ATOM 0 HA SER A 48 25.444 28.322 -0.235 1.00 45.44 H new ATOM 0 HB2 SER A 48 24.397 30.151 -1.544 1.00 71.14 H new ATOM 0 HB3 SER A 48 24.929 31.326 -0.357 1.00 71.14 H new ATOM 0 HG SER A 48 26.372 31.192 -2.168 1.00 4.43 H new ATOM 692 N ASN A 49 25.957 30.197 2.365 1.00 13.02 N ATOM 693 CA ASN A 49 26.915 30.542 3.409 1.00 62.21 C ATOM 694 C ASN A 49 27.926 31.566 2.902 1.00 11.34 C ATOM 695 O ASN A 49 28.770 31.259 2.060 1.00 51.12 O ATOM 696 CB ASN A 49 27.644 29.288 3.896 1.00 71.53 C ATOM 697 CG ASN A 49 28.378 29.516 5.203 1.00 44.25 C ATOM 698 OD1 ASN A 49 29.439 30.140 5.230 1.00 3.23 O ATOM 699 ND2 ASN A 49 27.816 29.010 6.294 1.00 54.13 N ATOM 0 H ASN A 49 24.996 30.472 2.567 1.00 13.02 H new ATOM 0 HA ASN A 49 26.365 30.981 4.241 1.00 62.21 H new ATOM 0 HB2 ASN A 49 26.924 28.479 4.023 1.00 71.53 H new ATOM 0 HB3 ASN A 49 28.355 28.966 3.135 1.00 71.53 H new ATOM 0 HD21 ASN A 49 28.265 29.132 7.202 1.00 54.13 H new ATOM 0 HD22 ASN A 49 26.936 28.500 6.224 1.00 54.13 H new ATOM 706 N THR A 50 27.835 32.786 3.423 1.00 50.55 N ATOM 707 CA THR A 50 28.740 33.857 3.024 1.00 61.25 C ATOM 708 C THR A 50 29.723 34.190 4.140 1.00 44.13 C ATOM 709 O THR A 50 30.936 34.202 3.928 1.00 22.35 O ATOM 710 CB THR A 50 27.967 35.132 2.638 1.00 12.13 C ATOM 711 OG1 THR A 50 26.934 34.814 1.698 1.00 24.15 O ATOM 712 CG2 THR A 50 28.902 36.172 2.040 1.00 71.15 C ATOM 0 H THR A 50 27.144 33.057 4.122 1.00 50.55 H new ATOM 0 HA THR A 50 29.290 33.498 2.154 1.00 61.25 H new ATOM 0 HB THR A 50 27.520 35.546 3.542 1.00 12.13 H new ATOM 0 HG1 THR A 50 26.707 35.614 1.179 1.00 24.15 H new ATOM 0 HG21 THR A 50 28.333 37.063 1.775 1.00 71.15 H new ATOM 0 HG22 THR A 50 29.669 36.434 2.769 1.00 71.15 H new ATOM 0 HG23 THR A 50 29.375 35.765 1.146 1.00 71.15 H new ATOM 720 N ASP A 51 29.193 34.460 5.327 1.00 24.15 N ATOM 721 CA ASP A 51 30.025 34.792 6.478 1.00 22.24 C ATOM 722 C ASP A 51 29.841 33.769 7.595 1.00 62.21 C ATOM 723 O ASP A 51 30.782 33.067 7.968 1.00 73.32 O ATOM 724 CB ASP A 51 29.687 36.192 6.992 1.00 2.20 C ATOM 725 CG ASP A 51 30.899 36.913 7.549 1.00 21.21 C ATOM 726 OD1 ASP A 51 31.875 36.230 7.925 1.00 31.24 O ATOM 727 OD2 ASP A 51 30.872 38.160 7.608 1.00 23.31 O ATOM 0 H ASP A 51 28.191 34.456 5.518 1.00 24.15 H new ATOM 0 HA ASP A 51 31.067 34.772 6.159 1.00 22.24 H new ATOM 0 HB2 ASP A 51 29.259 36.780 6.180 1.00 2.20 H new ATOM 0 HB3 ASP A 51 28.925 36.117 7.767 1.00 2.20 H new ATOM 732 N ILE A 52 28.625 33.691 8.125 1.00 42.23 N ATOM 733 CA ILE A 52 28.319 32.754 9.198 1.00 13.34 C ATOM 734 C ILE A 52 26.815 32.663 9.436 1.00 61.45 C ATOM 735 O ILE A 52 26.203 33.585 9.975 1.00 1.43 O ATOM 736 CB ILE A 52 29.011 33.159 10.513 1.00 14.15 C ATOM 737 CG1 ILE A 52 28.543 32.259 11.659 1.00 25.11 C ATOM 738 CG2 ILE A 52 28.729 34.620 10.832 1.00 25.10 C ATOM 739 CD1 ILE A 52 28.766 30.785 11.399 1.00 3.52 C ATOM 0 H ILE A 52 27.836 34.265 7.829 1.00 42.23 H new ATOM 0 HA ILE A 52 28.695 31.780 8.883 1.00 13.34 H new ATOM 0 HB ILE A 52 30.087 33.034 10.393 1.00 14.15 H new ATOM 0 HG12 ILE A 52 29.069 32.543 12.571 1.00 25.11 H new ATOM 0 HG13 ILE A 52 27.481 32.432 11.836 1.00 25.11 H new ATOM 0 HG21 ILE A 52 29.225 34.891 11.764 1.00 25.10 H new ATOM 0 HG22 ILE A 52 29.106 35.248 10.025 1.00 25.10 H new ATOM 0 HG23 ILE A 52 27.654 34.769 10.936 1.00 25.10 H new ATOM 0 HD11 ILE A 52 28.411 30.207 12.252 1.00 3.52 H new ATOM 0 HD12 ILE A 52 28.218 30.486 10.505 1.00 3.52 H new ATOM 0 HD13 ILE A 52 29.830 30.598 11.252 1.00 3.52 H new ATOM 751 N LEU A 53 26.225 31.543 9.030 1.00 1.54 N ATOM 752 CA LEU A 53 24.792 31.329 9.200 1.00 1.32 C ATOM 753 C LEU A 53 24.497 29.876 9.558 1.00 5.14 C ATOM 754 O LEU A 53 25.226 28.968 9.159 1.00 21.00 O ATOM 755 CB LEU A 53 24.044 31.713 7.922 1.00 1.34 C ATOM 756 CG LEU A 53 24.584 31.115 6.623 1.00 42.10 C ATOM 757 CD1 LEU A 53 23.923 29.776 6.337 1.00 62.42 C ATOM 758 CD2 LEU A 53 24.369 32.077 5.463 1.00 20.43 C ATOM 0 H LEU A 53 26.717 30.770 8.581 1.00 1.54 H new ATOM 0 HA LEU A 53 24.450 31.962 10.018 1.00 1.32 H new ATOM 0 HB2 LEU A 53 23.002 31.413 8.031 1.00 1.34 H new ATOM 0 HB3 LEU A 53 24.055 32.799 7.831 1.00 1.34 H new ATOM 0 HG LEU A 53 25.655 30.951 6.739 1.00 42.10 H new ATOM 0 HD11 LEU A 53 24.320 29.365 5.409 1.00 62.42 H new ATOM 0 HD12 LEU A 53 24.129 29.087 7.156 1.00 62.42 H new ATOM 0 HD13 LEU A 53 22.846 29.915 6.241 1.00 62.42 H new ATOM 0 HD21 LEU A 53 24.759 31.635 4.546 1.00 20.43 H new ATOM 0 HD22 LEU A 53 23.303 32.273 5.346 1.00 20.43 H new ATOM 0 HD23 LEU A 53 24.890 33.013 5.665 1.00 20.43 H new ATOM 770 N SER A 54 23.423 29.664 10.312 1.00 63.10 N ATOM 771 CA SER A 54 23.033 28.321 10.725 1.00 12.13 C ATOM 772 C SER A 54 21.526 28.126 10.584 1.00 2.04 C ATOM 773 O SER A 54 20.740 29.006 10.936 1.00 10.10 O ATOM 774 CB SER A 54 23.458 28.066 12.172 1.00 4.05 C ATOM 775 OG SER A 54 24.865 27.928 12.274 1.00 41.34 O ATOM 0 H SER A 54 22.808 30.405 10.649 1.00 63.10 H new ATOM 0 HA SER A 54 23.537 27.606 10.074 1.00 12.13 H new ATOM 0 HB2 SER A 54 23.124 28.890 12.803 1.00 4.05 H new ATOM 0 HB3 SER A 54 22.973 27.163 12.543 1.00 4.05 H new ATOM 0 HG SER A 54 25.111 27.768 13.209 1.00 41.34 H new ATOM 781 N ILE A 55 21.132 26.967 10.068 1.00 51.13 N ATOM 782 CA ILE A 55 19.720 26.655 9.881 1.00 43.40 C ATOM 783 C ILE A 55 19.345 25.359 10.591 1.00 10.34 C ATOM 784 O ILE A 55 19.993 24.329 10.409 1.00 44.12 O ATOM 785 CB ILE A 55 19.364 26.531 8.388 1.00 50.02 C ATOM 786 CG1 ILE A 55 19.757 27.806 7.639 1.00 2.23 C ATOM 787 CG2 ILE A 55 17.879 26.248 8.220 1.00 54.34 C ATOM 788 CD1 ILE A 55 19.346 27.803 6.184 1.00 42.54 C ATOM 0 H ILE A 55 21.770 26.228 9.772 1.00 51.13 H new ATOM 0 HA ILE A 55 19.154 27.480 10.314 1.00 43.40 H new ATOM 0 HB ILE A 55 19.924 25.697 7.964 1.00 50.02 H new ATOM 0 HG12 ILE A 55 19.302 28.664 8.135 1.00 2.23 H new ATOM 0 HG13 ILE A 55 20.837 27.937 7.703 1.00 2.23 H new ATOM 0 HG21 ILE A 55 17.643 26.163 7.159 1.00 54.34 H new ATOM 0 HG22 ILE A 55 17.627 25.315 8.724 1.00 54.34 H new ATOM 0 HG23 ILE A 55 17.302 27.063 8.656 1.00 54.34 H new ATOM 0 HD11 ILE A 55 19.657 28.737 5.716 1.00 42.54 H new ATOM 0 HD12 ILE A 55 19.822 26.966 5.673 1.00 42.54 H new ATOM 0 HD13 ILE A 55 18.263 27.704 6.112 1.00 42.54 H new ATOM 800 N SER A 56 18.292 25.418 11.401 1.00 44.00 N ATOM 801 CA SER A 56 17.831 24.249 12.141 1.00 40.31 C ATOM 802 C SER A 56 16.364 23.959 11.839 1.00 51.42 C ATOM 803 O SER A 56 15.478 24.723 12.219 1.00 0.43 O ATOM 804 CB SER A 56 18.021 24.463 13.644 1.00 65.12 C ATOM 805 OG SER A 56 17.795 25.816 13.999 1.00 24.12 O ATOM 0 H SER A 56 17.743 26.262 11.561 1.00 44.00 H new ATOM 0 HA SER A 56 18.426 23.392 11.825 1.00 40.31 H new ATOM 0 HB2 SER A 56 17.335 23.820 14.196 1.00 65.12 H new ATOM 0 HB3 SER A 56 19.032 24.172 13.931 1.00 65.12 H new ATOM 0 HG SER A 56 17.921 25.926 14.965 1.00 24.12 H new ATOM 811 N ASN A 57 16.116 22.849 11.151 1.00 10.24 N ATOM 812 CA ASN A 57 14.757 22.457 10.797 1.00 53.32 C ATOM 813 C ASN A 57 14.459 21.038 11.269 1.00 21.45 C ATOM 814 O ASN A 57 13.886 20.235 10.534 1.00 60.15 O ATOM 815 CB ASN A 57 14.553 22.556 9.284 1.00 45.24 C ATOM 816 CG ASN A 57 15.482 23.568 8.640 1.00 0.25 C ATOM 817 OD1 ASN A 57 16.676 23.316 8.477 1.00 73.55 O ATOM 818 ND2 ASN A 57 14.936 24.722 8.273 1.00 63.31 N ATOM 0 H ASN A 57 16.838 22.205 10.828 1.00 10.24 H new ATOM 0 HA ASN A 57 14.068 23.139 11.296 1.00 53.32 H new ATOM 0 HB2 ASN A 57 14.718 21.577 8.833 1.00 45.24 H new ATOM 0 HB3 ASN A 57 13.519 22.833 9.077 1.00 45.24 H new ATOM 0 HD21 ASN A 57 15.511 25.442 7.837 1.00 63.31 H new ATOM 0 HD22 ASN A 57 13.941 24.888 8.428 1.00 63.31 H new ATOM 825 N ALA A 58 14.852 20.736 12.503 1.00 61.34 N ATOM 826 CA ALA A 58 14.625 19.414 13.075 1.00 43.43 C ATOM 827 C ALA A 58 14.271 19.510 14.555 1.00 52.53 C ATOM 828 O ALA A 58 14.264 18.507 15.268 1.00 61.04 O ATOM 829 CB ALA A 58 15.853 18.537 12.880 1.00 41.10 C ATOM 0 H ALA A 58 15.329 21.389 13.125 1.00 61.34 H new ATOM 0 HA ALA A 58 13.781 18.960 12.555 1.00 43.43 H new ATOM 0 HB1 ALA A 58 15.670 17.553 13.312 1.00 41.10 H new ATOM 0 HB2 ALA A 58 16.060 18.433 11.815 1.00 41.10 H new ATOM 0 HB3 ALA A 58 16.710 18.996 13.373 1.00 41.10 H new ATOM 835 N SER A 59 13.977 20.724 15.011 1.00 42.04 N ATOM 836 CA SER A 59 13.626 20.952 16.407 1.00 20.55 C ATOM 837 C SER A 59 12.394 20.140 16.797 1.00 1.20 C ATOM 838 O SER A 59 12.178 19.845 17.973 1.00 53.25 O ATOM 839 CB SER A 59 13.370 22.439 16.655 1.00 1.42 C ATOM 840 OG SER A 59 14.566 23.190 16.532 1.00 73.02 O ATOM 0 H SER A 59 13.975 21.565 14.433 1.00 42.04 H new ATOM 0 HA SER A 59 14.464 20.628 17.024 1.00 20.55 H new ATOM 0 HB2 SER A 59 12.631 22.808 15.944 1.00 1.42 H new ATOM 0 HB3 SER A 59 12.951 22.578 17.651 1.00 1.42 H new ATOM 0 HG SER A 59 14.375 24.138 16.693 1.00 73.02 H new ATOM 846 N ASP A 60 11.590 19.783 15.802 1.00 61.23 N ATOM 847 CA ASP A 60 10.380 19.005 16.038 1.00 33.44 C ATOM 848 C ASP A 60 9.631 18.754 14.733 1.00 22.41 C ATOM 849 O ASP A 60 9.007 17.707 14.555 1.00 44.51 O ATOM 850 CB ASP A 60 9.469 19.728 17.032 1.00 21.51 C ATOM 851 CG ASP A 60 9.356 18.993 18.353 1.00 15.05 C ATOM 852 OD1 ASP A 60 9.205 17.753 18.333 1.00 42.24 O ATOM 853 OD2 ASP A 60 9.418 19.658 19.409 1.00 72.25 O ATOM 0 H ASP A 60 11.755 20.020 14.824 1.00 61.23 H new ATOM 0 HA ASP A 60 10.673 18.043 16.458 1.00 33.44 H new ATOM 0 HB2 ASP A 60 9.854 20.732 17.210 1.00 21.51 H new ATOM 0 HB3 ASP A 60 8.476 19.840 16.596 1.00 21.51 H new ATOM 858 N SER A 61 9.697 19.721 13.824 1.00 70.23 N ATOM 859 CA SER A 61 9.021 19.607 12.536 1.00 24.14 C ATOM 860 C SER A 61 9.201 20.879 11.714 1.00 1.31 C ATOM 861 O SER A 61 9.753 20.848 10.613 1.00 15.44 O ATOM 862 CB SER A 61 7.532 19.325 12.742 1.00 72.25 C ATOM 863 OG SER A 61 6.737 20.152 11.910 1.00 52.11 O ATOM 0 H SER A 61 10.211 20.592 13.955 1.00 70.23 H new ATOM 0 HA SER A 61 9.469 18.777 11.990 1.00 24.14 H new ATOM 0 HB2 SER A 61 7.324 18.277 12.525 1.00 72.25 H new ATOM 0 HB3 SER A 61 7.268 19.493 13.786 1.00 72.25 H new ATOM 0 HG SER A 61 5.789 19.952 12.059 1.00 52.11 H new ATOM 869 N HIS A 62 8.731 21.998 12.257 1.00 44.33 N ATOM 870 CA HIS A 62 8.840 23.283 11.574 1.00 21.14 C ATOM 871 C HIS A 62 10.301 23.635 11.308 1.00 74.31 C ATOM 872 O HIS A 62 11.190 23.253 12.068 1.00 51.52 O ATOM 873 CB HIS A 62 8.182 24.384 12.407 1.00 60.31 C ATOM 874 CG HIS A 62 8.608 24.385 13.843 1.00 63.43 C ATOM 875 ND1 HIS A 62 7.722 24.258 14.891 1.00 33.11 N ATOM 876 CD2 HIS A 62 9.836 24.496 14.402 1.00 41.14 C ATOM 877 CE1 HIS A 62 8.385 24.293 16.033 1.00 43.22 C ATOM 878 NE2 HIS A 62 9.670 24.437 15.764 1.00 64.45 N ATOM 0 H HIS A 62 8.272 22.041 13.167 1.00 44.33 H new ATOM 0 HA HIS A 62 8.324 23.203 10.617 1.00 21.14 H new ATOM 0 HB2 HIS A 62 8.419 25.352 11.966 1.00 60.31 H new ATOM 0 HB3 HIS A 62 7.099 24.267 12.358 1.00 60.31 H new ATOM 0 HD2 HIS A 62 10.772 24.610 13.875 1.00 41.14 H new ATOM 0 HE1 HIS A 62 7.950 24.217 17.019 1.00 43.22 H new ATOM 0 HE2 HIS A 62 10.418 24.495 16.455 1.00 64.45 H new ATOM 886 N GLY A 63 10.540 24.364 10.222 1.00 3.13 N ATOM 887 CA GLY A 63 11.894 24.754 9.875 1.00 62.04 C ATOM 888 C GLY A 63 12.223 26.166 10.318 1.00 22.53 C ATOM 889 O GLY A 63 11.325 26.970 10.572 1.00 24.22 O ATOM 0 H GLY A 63 9.821 24.691 9.577 1.00 3.13 H new ATOM 0 HA2 GLY A 63 12.598 24.059 10.334 1.00 62.04 H new ATOM 0 HA3 GLY A 63 12.026 24.675 8.796 1.00 62.04 H new ATOM 893 N LEU A 64 13.513 26.468 10.414 1.00 41.30 N ATOM 894 CA LEU A 64 13.959 27.793 10.832 1.00 21.21 C ATOM 895 C LEU A 64 15.390 28.056 10.372 1.00 35.04 C ATOM 896 O LEU A 64 16.283 27.238 10.591 1.00 14.00 O ATOM 897 CB LEU A 64 13.867 27.927 12.353 1.00 22.11 C ATOM 898 CG LEU A 64 12.477 28.222 12.918 1.00 4.11 C ATOM 899 CD1 LEU A 64 11.823 26.945 13.420 1.00 31.53 C ATOM 900 CD2 LEU A 64 12.563 29.254 14.034 1.00 62.34 C ATOM 0 H LEU A 64 14.268 25.814 10.208 1.00 41.30 H new ATOM 0 HA LEU A 64 13.306 28.533 10.368 1.00 21.21 H new ATOM 0 HB2 LEU A 64 14.231 27.003 12.802 1.00 22.11 H new ATOM 0 HB3 LEU A 64 14.542 28.722 12.669 1.00 22.11 H new ATOM 0 HG LEU A 64 11.860 28.631 12.118 1.00 4.11 H new ATOM 0 HD11 LEU A 64 10.835 27.175 13.818 1.00 31.53 H new ATOM 0 HD12 LEU A 64 11.727 26.237 12.596 1.00 31.53 H new ATOM 0 HD13 LEU A 64 12.438 26.506 14.206 1.00 31.53 H new ATOM 0 HD21 LEU A 64 11.565 29.452 14.424 1.00 62.34 H new ATOM 0 HD22 LEU A 64 13.197 28.872 14.835 1.00 62.34 H new ATOM 0 HD23 LEU A 64 12.989 30.178 13.643 1.00 62.34 H new ATOM 912 N ALA A 65 15.599 29.204 9.736 1.00 25.15 N ATOM 913 CA ALA A 65 16.922 29.577 9.250 1.00 31.10 C ATOM 914 C ALA A 65 17.371 30.907 9.846 1.00 22.30 C ATOM 915 O ALA A 65 16.607 31.871 9.884 1.00 34.41 O ATOM 916 CB ALA A 65 16.924 29.650 7.730 1.00 20.12 C ATOM 0 H ALA A 65 14.870 29.891 9.545 1.00 25.15 H new ATOM 0 HA ALA A 65 17.628 28.810 9.567 1.00 31.10 H new ATOM 0 HB1 ALA A 65 17.918 29.929 7.380 1.00 20.12 H new ATOM 0 HB2 ALA A 65 16.655 28.677 7.319 1.00 20.12 H new ATOM 0 HB3 ALA A 65 16.201 30.396 7.401 1.00 20.12 H new ATOM 922 N SER A 66 18.616 30.951 10.311 1.00 54.20 N ATOM 923 CA SER A 66 19.165 32.162 10.910 1.00 40.13 C ATOM 924 C SER A 66 20.454 32.579 10.207 1.00 33.22 C ATOM 925 O SER A 66 21.447 31.852 10.223 1.00 24.43 O ATOM 926 CB SER A 66 19.431 31.944 12.400 1.00 30.14 C ATOM 927 OG SER A 66 20.636 31.226 12.604 1.00 52.12 O ATOM 0 H SER A 66 19.263 30.163 10.284 1.00 54.20 H new ATOM 0 HA SER A 66 18.432 32.960 10.792 1.00 40.13 H new ATOM 0 HB2 SER A 66 19.488 32.907 12.907 1.00 30.14 H new ATOM 0 HB3 SER A 66 18.599 31.398 12.845 1.00 30.14 H new ATOM 0 HG SER A 66 20.657 30.447 12.010 1.00 52.12 H new ATOM 933 N THR A 67 20.430 33.756 9.590 1.00 53.11 N ATOM 934 CA THR A 67 21.594 34.271 8.880 1.00 30.32 C ATOM 935 C THR A 67 22.345 35.293 9.725 1.00 2.22 C ATOM 936 O THR A 67 21.769 35.924 10.613 1.00 62.22 O ATOM 937 CB THR A 67 21.194 34.921 7.543 1.00 42.45 C ATOM 938 OG1 THR A 67 20.561 36.183 7.781 1.00 12.24 O ATOM 939 CG2 THR A 67 20.254 34.017 6.760 1.00 23.42 C ATOM 0 H THR A 67 19.617 34.371 9.568 1.00 53.11 H new ATOM 0 HA THR A 67 22.245 33.420 8.681 1.00 30.32 H new ATOM 0 HB THR A 67 22.099 35.074 6.955 1.00 42.45 H new ATOM 0 HG1 THR A 67 19.817 36.063 8.408 1.00 12.24 H new ATOM 0 HG21 THR A 67 19.986 34.498 5.819 1.00 23.42 H new ATOM 0 HG22 THR A 67 20.749 33.068 6.554 1.00 23.42 H new ATOM 0 HG23 THR A 67 19.352 33.836 7.345 1.00 23.42 H new ATOM 947 N LEU A 68 23.634 35.454 9.444 1.00 35.10 N ATOM 948 CA LEU A 68 24.464 36.402 10.178 1.00 25.34 C ATOM 949 C LEU A 68 25.678 36.815 9.353 1.00 45.33 C ATOM 950 O LEU A 68 26.787 36.925 9.874 1.00 44.24 O ATOM 951 CB LEU A 68 24.920 35.790 11.505 1.00 52.34 C ATOM 952 CG LEU A 68 24.965 36.741 12.701 1.00 23.14 C ATOM 953 CD1 LEU A 68 25.771 37.986 12.364 1.00 74.02 C ATOM 954 CD2 LEU A 68 23.557 37.117 13.138 1.00 32.50 C ATOM 0 H LEU A 68 24.126 34.940 8.713 1.00 35.10 H new ATOM 0 HA LEU A 68 23.866 37.290 10.380 1.00 25.34 H new ATOM 0 HB2 LEU A 68 24.254 34.963 11.749 1.00 52.34 H new ATOM 0 HB3 LEU A 68 25.915 35.367 11.365 1.00 52.34 H new ATOM 0 HG LEU A 68 25.456 36.229 13.529 1.00 23.14 H new ATOM 0 HD11 LEU A 68 25.792 38.651 13.228 1.00 74.02 H new ATOM 0 HD12 LEU A 68 26.790 37.700 12.102 1.00 74.02 H new ATOM 0 HD13 LEU A 68 25.310 38.501 11.521 1.00 74.02 H new ATOM 0 HD21 LEU A 68 23.609 37.794 13.990 1.00 32.50 H new ATOM 0 HD22 LEU A 68 23.040 37.609 12.314 1.00 32.50 H new ATOM 0 HD23 LEU A 68 23.012 36.217 13.423 1.00 32.50 H new ATOM 966 N ASN A 69 25.459 37.045 8.062 1.00 3.41 N ATOM 967 CA ASN A 69 26.535 37.449 7.164 1.00 24.12 C ATOM 968 C ASN A 69 26.295 38.856 6.625 1.00 62.31 C ATOM 969 O ASN A 69 25.252 39.457 6.877 1.00 55.11 O ATOM 970 CB ASN A 69 26.657 36.460 6.003 1.00 21.54 C ATOM 971 CG ASN A 69 25.380 36.360 5.192 1.00 34.35 C ATOM 972 OD1 ASN A 69 25.293 36.887 4.083 1.00 35.42 O ATOM 973 ND2 ASN A 69 24.380 35.681 5.744 1.00 2.33 N ATOM 0 H ASN A 69 24.546 36.958 7.615 1.00 3.41 H new ATOM 0 HA ASN A 69 27.466 37.450 7.731 1.00 24.12 H new ATOM 0 HB2 ASN A 69 27.475 36.768 5.351 1.00 21.54 H new ATOM 0 HB3 ASN A 69 26.914 35.475 6.394 1.00 21.54 H new ATOM 0 HD21 ASN A 69 23.496 35.580 5.246 1.00 2.33 H new ATOM 0 HD22 ASN A 69 24.497 35.261 6.666 1.00 2.33 H new ATOM 980 N GLN A 70 27.268 39.373 5.882 1.00 62.23 N ATOM 981 CA GLN A 70 27.162 40.709 5.307 1.00 21.31 C ATOM 982 C GLN A 70 27.212 40.652 3.784 1.00 61.42 C ATOM 983 O GLN A 70 28.083 41.254 3.158 1.00 3.23 O ATOM 984 CB GLN A 70 28.286 41.604 5.833 1.00 74.31 C ATOM 985 CG GLN A 70 28.245 41.810 7.338 1.00 13.44 C ATOM 986 CD GLN A 70 29.623 41.780 7.969 1.00 33.23 C ATOM 987 OE1 GLN A 70 29.962 40.850 8.702 1.00 10.44 O ATOM 988 NE2 GLN A 70 30.426 42.799 7.687 1.00 21.31 N ATOM 0 H GLN A 70 28.138 38.888 5.664 1.00 62.23 H new ATOM 0 HA GLN A 70 26.202 41.130 5.605 1.00 21.31 H new ATOM 0 HB2 GLN A 70 29.246 41.165 5.561 1.00 74.31 H new ATOM 0 HB3 GLN A 70 28.227 42.574 5.340 1.00 74.31 H new ATOM 0 HG2 GLN A 70 27.770 42.766 7.557 1.00 13.44 H new ATOM 0 HG3 GLN A 70 27.626 41.035 7.790 1.00 13.44 H new ATOM 0 HE21 GLN A 70 30.103 43.548 7.075 1.00 21.31 H new ATOM 0 HE22 GLN A 70 31.365 42.833 8.083 1.00 21.31 H new ATOM 997 N GLY A 71 26.271 39.922 3.192 1.00 30.24 N ATOM 998 CA GLY A 71 26.226 39.799 1.747 1.00 3.01 C ATOM 999 C GLY A 71 24.960 39.123 1.262 1.00 75.05 C ATOM 1000 O GLY A 71 23.887 39.315 1.834 1.00 64.35 O ATOM 0 H GLY A 71 25.539 39.414 3.688 1.00 30.24 H new ATOM 0 HA2 GLY A 71 26.300 40.790 1.299 1.00 3.01 H new ATOM 0 HA3 GLY A 71 27.091 39.230 1.407 1.00 3.01 H new ATOM 1004 N ASN A 72 25.083 38.330 0.202 1.00 55.43 N ATOM 1005 CA ASN A 72 23.937 37.625 -0.362 1.00 43.34 C ATOM 1006 C ASN A 72 24.084 36.118 -0.181 1.00 35.52 C ATOM 1007 O ASN A 72 25.149 35.552 -0.427 1.00 71.04 O ATOM 1008 CB ASN A 72 23.788 37.959 -1.848 1.00 15.20 C ATOM 1009 CG ASN A 72 25.020 38.636 -2.416 1.00 1.25 C ATOM 1010 OD1 ASN A 72 26.118 38.079 -2.385 1.00 15.11 O ATOM 1011 ND2 ASN A 72 24.844 39.845 -2.937 1.00 71.42 N ATOM 0 H ASN A 72 25.964 38.160 -0.283 1.00 55.43 H new ATOM 0 HA ASN A 72 23.043 37.952 0.169 1.00 43.34 H new ATOM 0 HB2 ASN A 72 23.591 37.043 -2.405 1.00 15.20 H new ATOM 0 HB3 ASN A 72 22.924 38.609 -1.986 1.00 15.20 H new ATOM 0 HD21 ASN A 72 25.637 40.350 -3.333 1.00 71.42 H new ATOM 0 HD22 ASN A 72 23.916 40.268 -2.941 1.00 71.42 H new ATOM 1018 N VAL A 73 23.005 35.472 0.252 1.00 61.34 N ATOM 1019 CA VAL A 73 23.012 34.029 0.465 1.00 41.32 C ATOM 1020 C VAL A 73 21.956 33.342 -0.394 1.00 23.12 C ATOM 1021 O VAL A 73 20.941 33.942 -0.748 1.00 61.42 O ATOM 1022 CB VAL A 73 22.763 33.679 1.944 1.00 53.32 C ATOM 1023 CG1 VAL A 73 23.021 32.201 2.194 1.00 40.31 C ATOM 1024 CG2 VAL A 73 23.630 34.541 2.848 1.00 4.24 C ATOM 0 H VAL A 73 22.116 35.925 0.462 1.00 61.34 H new ATOM 0 HA VAL A 73 24.000 33.671 0.176 1.00 41.32 H new ATOM 0 HB VAL A 73 21.718 33.885 2.177 1.00 53.32 H new ATOM 0 HG11 VAL A 73 22.840 31.973 3.244 1.00 40.31 H new ATOM 0 HG12 VAL A 73 22.353 31.605 1.573 1.00 40.31 H new ATOM 0 HG13 VAL A 73 24.055 31.965 1.944 1.00 40.31 H new ATOM 0 HG21 VAL A 73 23.441 34.280 3.889 1.00 4.24 H new ATOM 0 HG22 VAL A 73 24.681 34.369 2.616 1.00 4.24 H new ATOM 0 HG23 VAL A 73 23.390 35.592 2.688 1.00 4.24 H new ATOM 1034 N LYS A 74 22.202 32.079 -0.725 1.00 70.12 N ATOM 1035 CA LYS A 74 21.272 31.307 -1.541 1.00 64.22 C ATOM 1036 C LYS A 74 20.656 30.168 -0.734 1.00 43.34 C ATOM 1037 O LYS A 74 21.321 29.177 -0.433 1.00 2.24 O ATOM 1038 CB LYS A 74 21.987 30.745 -2.772 1.00 63.01 C ATOM 1039 CG LYS A 74 21.043 30.187 -3.822 1.00 74.23 C ATOM 1040 CD LYS A 74 20.305 31.295 -4.554 1.00 52.23 C ATOM 1041 CE LYS A 74 19.997 30.905 -5.992 1.00 1.11 C ATOM 1042 NZ LYS A 74 20.925 31.560 -6.955 1.00 70.01 N ATOM 0 H LYS A 74 23.038 31.568 -0.441 1.00 70.12 H new ATOM 0 HA LYS A 74 20.473 31.973 -1.865 1.00 64.22 H new ATOM 0 HB2 LYS A 74 22.592 31.533 -3.221 1.00 63.01 H new ATOM 0 HB3 LYS A 74 22.672 29.958 -2.456 1.00 63.01 H new ATOM 0 HG2 LYS A 74 21.607 29.589 -4.538 1.00 74.23 H new ATOM 0 HG3 LYS A 74 20.323 29.521 -3.348 1.00 74.23 H new ATOM 0 HD2 LYS A 74 19.376 31.522 -4.031 1.00 52.23 H new ATOM 0 HD3 LYS A 74 20.907 32.203 -4.543 1.00 52.23 H new ATOM 0 HE2 LYS A 74 20.068 29.823 -6.098 1.00 1.11 H new ATOM 0 HE3 LYS A 74 18.970 31.182 -6.231 1.00 1.11 H new ATOM 0 HZ1 LYS A 74 20.682 31.269 -7.924 1.00 70.01 H new ATOM 0 HZ2 LYS A 74 20.839 32.593 -6.872 1.00 70.01 H new ATOM 0 HZ3 LYS A 74 21.903 31.276 -6.743 1.00 70.01 H new ATOM 1056 N VAL A 75 19.381 30.316 -0.389 1.00 2.21 N ATOM 1057 CA VAL A 75 18.675 29.299 0.381 1.00 53.24 C ATOM 1058 C VAL A 75 17.985 28.296 -0.537 1.00 64.21 C ATOM 1059 O VAL A 75 17.129 28.661 -1.344 1.00 25.31 O ATOM 1060 CB VAL A 75 17.625 29.930 1.314 1.00 15.30 C ATOM 1061 CG1 VAL A 75 16.862 28.851 2.067 1.00 21.04 C ATOM 1062 CG2 VAL A 75 18.286 30.901 2.281 1.00 61.33 C ATOM 0 H VAL A 75 18.816 31.130 -0.630 1.00 2.21 H new ATOM 0 HA VAL A 75 19.422 28.782 0.984 1.00 53.24 H new ATOM 0 HB VAL A 75 16.913 30.487 0.706 1.00 15.30 H new ATOM 0 HG11 VAL A 75 16.125 29.316 2.721 1.00 21.04 H new ATOM 0 HG12 VAL A 75 16.356 28.199 1.355 1.00 21.04 H new ATOM 0 HG13 VAL A 75 17.558 28.263 2.665 1.00 21.04 H new ATOM 0 HG21 VAL A 75 17.529 31.337 2.933 1.00 61.33 H new ATOM 0 HG22 VAL A 75 19.022 30.369 2.885 1.00 61.33 H new ATOM 0 HG23 VAL A 75 18.782 31.693 1.719 1.00 61.33 H new ATOM 1072 N THR A 76 18.363 27.028 -0.409 1.00 25.42 N ATOM 1073 CA THR A 76 17.783 25.970 -1.227 1.00 13.53 C ATOM 1074 C THR A 76 17.500 24.724 -0.395 1.00 40.52 C ATOM 1075 O THR A 76 18.272 24.374 0.497 1.00 72.12 O ATOM 1076 CB THR A 76 18.709 25.593 -2.398 1.00 24.12 C ATOM 1077 OG1 THR A 76 19.558 26.698 -2.727 1.00 4.23 O ATOM 1078 CG2 THR A 76 17.899 25.188 -3.620 1.00 63.11 C ATOM 0 H THR A 76 19.069 26.709 0.254 1.00 25.42 H new ATOM 0 HA THR A 76 16.846 26.357 -1.626 1.00 13.53 H new ATOM 0 HB THR A 76 19.320 24.745 -2.090 1.00 24.12 H new ATOM 0 HG1 THR A 76 20.145 26.449 -3.471 1.00 4.23 H new ATOM 0 HG21 THR A 76 18.575 24.926 -4.434 1.00 63.11 H new ATOM 0 HG22 THR A 76 17.276 24.328 -3.375 1.00 63.11 H new ATOM 0 HG23 THR A 76 17.265 26.019 -3.928 1.00 63.11 H new ATOM 1086 N ALA A 77 16.389 24.059 -0.694 1.00 62.20 N ATOM 1087 CA ALA A 77 16.007 22.850 0.025 1.00 74.24 C ATOM 1088 C ALA A 77 15.357 21.837 -0.912 1.00 74.00 C ATOM 1089 O ALA A 77 14.869 22.193 -1.985 1.00 12.04 O ATOM 1090 CB ALA A 77 15.065 23.192 1.170 1.00 43.21 C ATOM 0 H ALA A 77 15.738 24.337 -1.429 1.00 62.20 H new ATOM 0 HA ALA A 77 16.911 22.400 0.435 1.00 74.24 H new ATOM 0 HB1 ALA A 77 14.788 22.280 1.698 1.00 43.21 H new ATOM 0 HB2 ALA A 77 15.563 23.874 1.860 1.00 43.21 H new ATOM 0 HB3 ALA A 77 14.168 23.668 0.774 1.00 43.21 H new ATOM 1096 N SER A 78 15.354 20.573 -0.500 1.00 1.32 N ATOM 1097 CA SER A 78 14.768 19.508 -1.305 1.00 31.14 C ATOM 1098 C SER A 78 14.017 18.513 -0.425 1.00 20.01 C ATOM 1099 O SER A 78 14.498 18.122 0.639 1.00 44.20 O ATOM 1100 CB SER A 78 15.856 18.783 -2.100 1.00 14.31 C ATOM 1101 OG SER A 78 15.715 19.021 -3.490 1.00 5.43 O ATOM 0 H SER A 78 15.751 20.262 0.387 1.00 1.32 H new ATOM 0 HA SER A 78 14.060 19.959 -2.000 1.00 31.14 H new ATOM 0 HB2 SER A 78 16.838 19.119 -1.768 1.00 14.31 H new ATOM 0 HB3 SER A 78 15.802 17.712 -1.904 1.00 14.31 H new ATOM 0 HG SER A 78 16.423 18.549 -3.976 1.00 5.43 H new ATOM 1107 N ILE A 79 12.835 18.108 -0.877 1.00 62.31 N ATOM 1108 CA ILE A 79 12.018 17.158 -0.133 1.00 32.15 C ATOM 1109 C ILE A 79 11.366 16.143 -1.066 1.00 3.20 C ATOM 1110 O ILE A 79 10.794 16.506 -2.092 1.00 54.54 O ATOM 1111 CB ILE A 79 10.920 17.873 0.677 1.00 52.14 C ATOM 1112 CG1 ILE A 79 9.993 16.850 1.336 1.00 24.43 C ATOM 1113 CG2 ILE A 79 10.127 18.812 -0.221 1.00 3.04 C ATOM 1114 CD1 ILE A 79 9.695 17.152 2.788 1.00 54.31 C ATOM 0 H ILE A 79 12.422 18.423 -1.755 1.00 62.31 H new ATOM 0 HA ILE A 79 12.686 16.639 0.554 1.00 32.15 H new ATOM 0 HB ILE A 79 11.394 18.464 1.461 1.00 52.14 H new ATOM 0 HG12 ILE A 79 9.055 16.811 0.782 1.00 24.43 H new ATOM 0 HG13 ILE A 79 10.447 15.862 1.265 1.00 24.43 H new ATOM 0 HG21 ILE A 79 9.355 19.310 0.365 1.00 3.04 H new ATOM 0 HG22 ILE A 79 10.796 19.559 -0.648 1.00 3.04 H new ATOM 0 HG23 ILE A 79 9.661 18.241 -1.024 1.00 3.04 H new ATOM 0 HD11 ILE A 79 9.032 16.386 3.190 1.00 54.31 H new ATOM 0 HD12 ILE A 79 10.625 17.162 3.356 1.00 54.31 H new ATOM 0 HD13 ILE A 79 9.212 18.126 2.865 1.00 54.31 H new ATOM 1126 N GLY A 80 11.457 14.868 -0.701 1.00 33.21 N ATOM 1127 CA GLY A 80 10.870 13.820 -1.515 1.00 62.34 C ATOM 1128 C GLY A 80 11.323 13.886 -2.960 1.00 41.44 C ATOM 1129 O GLY A 80 12.439 13.486 -3.287 1.00 44.05 O ATOM 0 H GLY A 80 11.927 14.542 0.144 1.00 33.21 H new ATOM 0 HA2 GLY A 80 11.136 12.849 -1.098 1.00 62.34 H new ATOM 0 HA3 GLY A 80 9.784 13.898 -1.474 1.00 62.34 H new ATOM 1133 N GLY A 81 10.453 14.393 -3.829 1.00 61.11 N ATOM 1134 CA GLY A 81 10.787 14.500 -5.237 1.00 64.52 C ATOM 1135 C GLY A 81 10.878 15.939 -5.704 1.00 71.33 C ATOM 1136 O GLY A 81 11.738 16.282 -6.516 1.00 30.20 O ATOM 0 H GLY A 81 9.523 14.731 -3.582 1.00 61.11 H new ATOM 0 HA2 GLY A 81 11.739 14.001 -5.420 1.00 64.52 H new ATOM 0 HA3 GLY A 81 10.034 13.977 -5.827 1.00 64.52 H new ATOM 1140 N ILE A 82 9.988 16.782 -5.193 1.00 12.14 N ATOM 1141 CA ILE A 82 9.971 18.192 -5.563 1.00 71.21 C ATOM 1142 C ILE A 82 10.878 19.011 -4.651 1.00 64.34 C ATOM 1143 O ILE A 82 11.136 18.628 -3.511 1.00 22.24 O ATOM 1144 CB ILE A 82 8.545 18.772 -5.505 1.00 45.03 C ATOM 1145 CG1 ILE A 82 7.540 17.769 -6.074 1.00 34.25 C ATOM 1146 CG2 ILE A 82 8.478 20.087 -6.267 1.00 12.41 C ATOM 1147 CD1 ILE A 82 6.764 17.023 -5.010 1.00 61.35 C ATOM 0 H ILE A 82 9.269 16.513 -4.521 1.00 12.14 H new ATOM 0 HA ILE A 82 10.339 18.254 -6.587 1.00 71.21 H new ATOM 0 HB ILE A 82 8.288 18.964 -4.463 1.00 45.03 H new ATOM 0 HG12 ILE A 82 6.839 18.296 -6.721 1.00 34.25 H new ATOM 0 HG13 ILE A 82 8.070 17.049 -6.698 1.00 34.25 H new ATOM 0 HG21 ILE A 82 7.464 20.485 -6.217 1.00 12.41 H new ATOM 0 HG22 ILE A 82 9.171 20.801 -5.822 1.00 12.41 H new ATOM 0 HG23 ILE A 82 8.751 19.918 -7.309 1.00 12.41 H new ATOM 0 HD11 ILE A 82 6.070 16.329 -5.485 1.00 61.35 H new ATOM 0 HD12 ILE A 82 7.456 16.468 -4.377 1.00 61.35 H new ATOM 0 HD13 ILE A 82 6.206 17.734 -4.401 1.00 61.35 H new ATOM 1159 N GLN A 83 11.358 20.140 -5.162 1.00 70.04 N ATOM 1160 CA GLN A 83 12.236 21.014 -4.393 1.00 71.32 C ATOM 1161 C GLN A 83 11.953 22.480 -4.703 1.00 74.12 C ATOM 1162 O GLN A 83 11.322 22.801 -5.709 1.00 55.32 O ATOM 1163 CB GLN A 83 13.701 20.691 -4.692 1.00 70.10 C ATOM 1164 CG GLN A 83 14.207 21.305 -5.987 1.00 5.31 C ATOM 1165 CD GLN A 83 15.647 20.934 -6.285 1.00 52.31 C ATOM 1166 OE1 GLN A 83 15.923 19.874 -6.846 1.00 70.35 O ATOM 1167 NE2 GLN A 83 16.574 21.808 -5.910 1.00 54.24 N ATOM 0 H GLN A 83 11.154 20.471 -6.105 1.00 70.04 H new ATOM 0 HA GLN A 83 12.042 20.842 -3.334 1.00 71.32 H new ATOM 0 HB2 GLN A 83 14.318 21.045 -3.866 1.00 70.10 H new ATOM 0 HB3 GLN A 83 13.823 19.609 -4.740 1.00 70.10 H new ATOM 0 HG2 GLN A 83 13.573 20.978 -6.812 1.00 5.31 H new ATOM 0 HG3 GLN A 83 14.120 22.390 -5.929 1.00 5.31 H new ATOM 0 HE21 GLN A 83 16.300 22.675 -5.448 1.00 54.24 H new ATOM 0 HE22 GLN A 83 17.560 21.612 -6.084 1.00 54.24 H new ATOM 1176 N GLY A 84 12.424 23.366 -3.831 1.00 15.11 N ATOM 1177 CA GLY A 84 12.210 24.788 -4.029 1.00 61.23 C ATOM 1178 C GLY A 84 13.487 25.591 -3.885 1.00 1.52 C ATOM 1179 O GLY A 84 14.543 25.041 -3.574 1.00 63.10 O ATOM 0 H GLY A 84 12.950 23.125 -2.991 1.00 15.11 H new ATOM 0 HA2 GLY A 84 11.789 24.955 -5.021 1.00 61.23 H new ATOM 0 HA3 GLY A 84 11.476 25.146 -3.307 1.00 61.23 H new ATOM 1183 N SER A 85 13.392 26.898 -4.112 1.00 75.43 N ATOM 1184 CA SER A 85 14.550 27.778 -4.011 1.00 74.10 C ATOM 1185 C SER A 85 14.145 29.149 -3.479 1.00 55.44 C ATOM 1186 O SER A 85 13.018 29.601 -3.686 1.00 15.12 O ATOM 1187 CB SER A 85 15.225 27.926 -5.376 1.00 13.42 C ATOM 1188 OG SER A 85 14.276 27.849 -6.425 1.00 53.53 O ATOM 0 H SER A 85 12.525 27.370 -4.367 1.00 75.43 H new ATOM 0 HA SER A 85 15.256 27.331 -3.312 1.00 74.10 H new ATOM 0 HB2 SER A 85 15.749 28.881 -5.425 1.00 13.42 H new ATOM 0 HB3 SER A 85 15.974 27.144 -5.501 1.00 13.42 H new ATOM 0 HG SER A 85 14.732 27.948 -7.287 1.00 53.53 H new ATOM 1194 N THR A 86 15.073 29.809 -2.793 1.00 34.23 N ATOM 1195 CA THR A 86 14.814 31.128 -2.230 1.00 33.12 C ATOM 1196 C THR A 86 16.068 31.994 -2.260 1.00 14.31 C ATOM 1197 O THR A 86 17.187 31.483 -2.255 1.00 64.42 O ATOM 1198 CB THR A 86 14.306 31.030 -0.779 1.00 21.32 C ATOM 1199 OG1 THR A 86 13.455 29.888 -0.634 1.00 34.41 O ATOM 1200 CG2 THR A 86 13.547 32.288 -0.385 1.00 31.32 C ATOM 0 H THR A 86 16.011 29.451 -2.614 1.00 34.23 H new ATOM 0 HA THR A 86 14.042 31.589 -2.847 1.00 33.12 H new ATOM 0 HB THR A 86 15.169 30.925 -0.122 1.00 21.32 H new ATOM 0 HG1 THR A 86 13.267 29.739 0.316 1.00 34.41 H new ATOM 0 HG21 THR A 86 13.198 32.195 0.643 1.00 31.32 H new ATOM 0 HG22 THR A 86 14.207 33.152 -0.468 1.00 31.32 H new ATOM 0 HG23 THR A 86 12.692 32.420 -1.048 1.00 31.32 H new ATOM 1208 N ASP A 87 15.873 33.308 -2.290 1.00 73.11 N ATOM 1209 CA ASP A 87 16.989 34.246 -2.319 1.00 52.10 C ATOM 1210 C ASP A 87 16.945 35.180 -1.113 1.00 65.52 C ATOM 1211 O ASP A 87 15.940 35.845 -0.866 1.00 54.11 O ATOM 1212 CB ASP A 87 16.964 35.062 -3.612 1.00 74.15 C ATOM 1213 CG ASP A 87 18.019 36.151 -3.631 1.00 34.51 C ATOM 1214 OD1 ASP A 87 19.220 35.812 -3.614 1.00 63.11 O ATOM 1215 OD2 ASP A 87 17.643 37.341 -3.661 1.00 54.33 O ATOM 0 H ASP A 87 14.953 33.747 -2.295 1.00 73.11 H new ATOM 0 HA ASP A 87 17.915 33.672 -2.279 1.00 52.10 H new ATOM 0 HB2 ASP A 87 17.118 34.396 -4.461 1.00 74.15 H new ATOM 0 HB3 ASP A 87 15.979 35.512 -3.735 1.00 74.15 H new ATOM 1220 N PHE A 88 18.043 35.223 -0.365 1.00 32.40 N ATOM 1221 CA PHE A 88 18.130 36.073 0.817 1.00 74.24 C ATOM 1222 C PHE A 88 19.376 36.952 0.764 1.00 72.22 C ATOM 1223 O PHE A 88 20.446 36.508 0.348 1.00 61.41 O ATOM 1224 CB PHE A 88 18.148 35.218 2.086 1.00 52.33 C ATOM 1225 CG PHE A 88 16.797 34.683 2.467 1.00 24.31 C ATOM 1226 CD1 PHE A 88 16.349 33.473 1.961 1.00 51.42 C ATOM 1227 CD2 PHE A 88 15.977 35.388 3.332 1.00 12.14 C ATOM 1228 CE1 PHE A 88 15.106 32.979 2.310 1.00 64.23 C ATOM 1229 CE2 PHE A 88 14.733 34.898 3.685 1.00 3.32 C ATOM 1230 CZ PHE A 88 14.298 33.691 3.174 1.00 42.52 C ATOM 0 H PHE A 88 18.885 34.679 -0.556 1.00 32.40 H new ATOM 0 HA PHE A 88 17.252 36.719 0.835 1.00 74.24 H new ATOM 0 HB2 PHE A 88 18.833 34.383 1.942 1.00 52.33 H new ATOM 0 HB3 PHE A 88 18.540 35.814 2.910 1.00 52.33 H new ATOM 0 HD1 PHE A 88 16.978 32.910 1.287 1.00 51.42 H new ATOM 0 HD2 PHE A 88 16.313 36.332 3.736 1.00 12.14 H new ATOM 0 HE1 PHE A 88 14.767 32.036 1.907 1.00 64.23 H new ATOM 0 HE2 PHE A 88 14.103 35.458 4.359 1.00 3.32 H new ATOM 0 HZ PHE A 88 13.328 33.305 3.450 1.00 42.52 H new ATOM 1240 N LYS A 89 19.229 38.202 1.188 1.00 12.30 N ATOM 1241 CA LYS A 89 20.341 39.146 1.191 1.00 74.42 C ATOM 1242 C LYS A 89 20.495 39.800 2.560 1.00 43.43 C ATOM 1243 O LYS A 89 19.673 40.623 2.962 1.00 52.52 O ATOM 1244 CB LYS A 89 20.128 40.219 0.121 1.00 1.32 C ATOM 1245 CG LYS A 89 21.326 41.133 -0.070 1.00 65.33 C ATOM 1246 CD LYS A 89 21.950 40.953 -1.444 1.00 43.41 C ATOM 1247 CE LYS A 89 21.649 42.136 -2.352 1.00 13.01 C ATOM 1248 NZ LYS A 89 21.437 41.712 -3.764 1.00 30.25 N ATOM 0 H LYS A 89 18.350 38.586 1.535 1.00 12.30 H new ATOM 0 HA LYS A 89 21.254 38.595 0.967 1.00 74.42 H new ATOM 0 HB2 LYS A 89 19.897 39.734 -0.827 1.00 1.32 H new ATOM 0 HB3 LYS A 89 19.261 40.822 0.390 1.00 1.32 H new ATOM 0 HG2 LYS A 89 21.017 42.171 0.058 1.00 65.33 H new ATOM 0 HG3 LYS A 89 22.070 40.925 0.699 1.00 65.33 H new ATOM 0 HD2 LYS A 89 23.029 40.836 -1.342 1.00 43.41 H new ATOM 0 HD3 LYS A 89 21.572 40.038 -1.900 1.00 43.41 H new ATOM 0 HE2 LYS A 89 20.760 42.654 -1.991 1.00 13.01 H new ATOM 0 HE3 LYS A 89 22.473 42.848 -2.306 1.00 13.01 H new ATOM 0 HZ1 LYS A 89 21.235 42.547 -4.350 1.00 30.25 H new ATOM 0 HZ2 LYS A 89 22.294 41.240 -4.117 1.00 30.25 H new ATOM 0 HZ3 LYS A 89 20.634 41.053 -3.812 1.00 30.25 H new ATOM 1262 N VAL A 90 21.555 39.430 3.271 1.00 4.53 N ATOM 1263 CA VAL A 90 21.819 39.984 4.594 1.00 21.12 C ATOM 1264 C VAL A 90 22.786 41.160 4.515 1.00 21.11 C ATOM 1265 O VAL A 90 23.879 41.044 3.960 1.00 25.44 O ATOM 1266 CB VAL A 90 22.400 38.919 5.543 1.00 63.54 C ATOM 1267 CG1 VAL A 90 22.369 39.410 6.982 1.00 54.23 C ATOM 1268 CG2 VAL A 90 21.640 37.608 5.401 1.00 2.43 C ATOM 0 H VAL A 90 22.245 38.749 2.953 1.00 4.53 H new ATOM 0 HA VAL A 90 20.863 40.329 4.989 1.00 21.12 H new ATOM 0 HB VAL A 90 23.440 38.742 5.268 1.00 63.54 H new ATOM 0 HG11 VAL A 90 22.784 38.644 7.637 1.00 54.23 H new ATOM 0 HG12 VAL A 90 22.962 40.321 7.069 1.00 54.23 H new ATOM 0 HG13 VAL A 90 21.339 39.618 7.273 1.00 54.23 H new ATOM 0 HG21 VAL A 90 22.064 36.867 6.079 1.00 2.43 H new ATOM 0 HG22 VAL A 90 20.590 37.767 5.648 1.00 2.43 H new ATOM 0 HG23 VAL A 90 21.721 37.250 4.375 1.00 2.43 H new ATOM 1278 N THR A 91 22.377 42.294 5.074 1.00 13.53 N ATOM 1279 CA THR A 91 23.206 43.493 5.067 1.00 72.00 C ATOM 1280 C THR A 91 23.866 43.713 6.423 1.00 14.44 C ATOM 1281 O THR A 91 23.581 43.000 7.385 1.00 55.31 O ATOM 1282 CB THR A 91 22.384 44.743 4.700 1.00 74.45 C ATOM 1283 OG1 THR A 91 21.210 44.361 3.973 1.00 21.23 O ATOM 1284 CG2 THR A 91 23.211 45.708 3.865 1.00 50.52 C ATOM 0 H THR A 91 21.476 42.408 5.538 1.00 13.53 H new ATOM 0 HA THR A 91 23.977 43.340 4.311 1.00 72.00 H new ATOM 0 HB THR A 91 22.093 45.244 5.623 1.00 74.45 H new ATOM 0 HG1 THR A 91 20.692 45.161 3.745 1.00 21.23 H new ATOM 0 HG21 THR A 91 22.610 46.583 3.618 1.00 50.52 H new ATOM 0 HG22 THR A 91 24.089 46.019 4.431 1.00 50.52 H new ATOM 0 HG23 THR A 91 23.528 45.215 2.946 1.00 50.52 H new ATOM 1292 N GLN A 92 24.747 44.705 6.493 1.00 5.40 N ATOM 1293 CA GLN A 92 25.447 45.019 7.733 1.00 24.12 C ATOM 1294 C GLN A 92 24.589 45.900 8.635 1.00 61.20 C ATOM 1295 O GLN A 92 23.404 46.108 8.371 1.00 3.53 O ATOM 1296 CB GLN A 92 26.775 45.717 7.432 1.00 53.01 C ATOM 1297 CG GLN A 92 27.654 45.907 8.657 1.00 11.23 C ATOM 1298 CD GLN A 92 29.092 46.226 8.300 1.00 42.22 C ATOM 1299 OE1 GLN A 92 29.534 45.981 7.177 1.00 51.11 O ATOM 1300 NE2 GLN A 92 29.832 46.776 9.256 1.00 50.45 N ATOM 0 H GLN A 92 24.993 45.305 5.706 1.00 5.40 H new ATOM 0 HA GLN A 92 25.647 44.083 8.254 1.00 24.12 H new ATOM 0 HB2 GLN A 92 27.322 45.135 6.690 1.00 53.01 H new ATOM 0 HB3 GLN A 92 26.571 46.691 6.987 1.00 53.01 H new ATOM 0 HG2 GLN A 92 27.248 46.713 9.269 1.00 11.23 H new ATOM 0 HG3 GLN A 92 27.626 45.001 9.263 1.00 11.23 H new ATOM 0 HE21 GLN A 92 29.425 46.962 10.173 1.00 50.45 H new ATOM 0 HE22 GLN A 92 30.807 47.013 9.074 1.00 50.45 H new TER 1309 GLN A 92