USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 623 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 70 GLN : amide:sc= 0 X(o=0,f=0.25) USER MOD Set 1.2: A 92 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Set 2.1: A 22 GLN : amide:sc= -1.42 K(o=-1.7,f=-0.14) USER MOD Set 2.2: A 66 SER OG : rot 7:sc= -0.285 USER MOD Single : A 7 SER OG : rot 180:sc= -1.43! 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= 0.245 K(o=0.25,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 51:sc= 1.07 USER MOD Single : A 19 LYS NZ :NH3+ -124:sc= 0.182 (180deg=-0.0174) USER MOD Single : A 24 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 32 THR OG1 : rot -24:sc= 0.247 USER MOD Single : A 34 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.51) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.84) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 140:sc=-0.000809 USER MOD Single : A 42 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 6:sc= 0.581! USER MOD Single : A 49 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.046) USER MOD Single : A 50 THR OG1 : rot -14:sc= 0.229 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= -1.59 K(o=-1.6,f=-11!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.128 USER MOD Single : A 62 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot -130:sc= -0.812 USER MOD Single : A 69 ASN : amide:sc= -6.54! C(o=-6.5!,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= -0.485 K(o=-0.48,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= -0.807 USER MOD Single : A 83 GLN : amide:sc= -0.0078 X(o=-0.0078,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 170:sc= -0.873 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 ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.827 7.498 -3.252 1.00 31.30 N ATOM 43 CA ALA A 4 5.068 7.913 -3.894 1.00 54.32 C ATOM 44 C ALA A 4 5.105 9.425 -4.090 1.00 53.13 C ATOM 45 O ALA A 4 4.075 10.055 -4.337 1.00 22.02 O ATOM 46 CB ALA A 4 5.235 7.202 -5.229 1.00 22.23 C ATOM 0 HA ALA A 4 5.896 7.637 -3.241 1.00 54.32 H new ATOM 0 HB1 ALA A 4 6.166 7.521 -5.697 1.00 22.23 H new ATOM 0 HB2 ALA A 4 5.262 6.125 -5.067 1.00 22.23 H new ATOM 0 HB3 ALA A 4 4.397 7.450 -5.881 1.00 22.23 H new ATOM 52 N LEU A 5 6.296 10.002 -3.979 1.00 11.32 N ATOM 53 CA LEU A 5 6.467 11.442 -4.143 1.00 61.33 C ATOM 54 C LEU A 5 5.853 11.917 -5.456 1.00 60.53 C ATOM 55 O LEU A 5 5.757 11.156 -6.420 1.00 3.31 O ATOM 56 CB LEU A 5 7.952 11.807 -4.100 1.00 71.20 C ATOM 57 CG LEU A 5 8.834 11.156 -5.166 1.00 44.40 C ATOM 58 CD1 LEU A 5 9.929 12.114 -5.610 1.00 52.43 C ATOM 59 CD2 LEU A 5 9.437 9.861 -4.642 1.00 3.32 C ATOM 0 H LEU A 5 7.158 9.495 -3.776 1.00 11.32 H new ATOM 0 HA LEU A 5 5.953 11.940 -3.321 1.00 61.33 H new ATOM 0 HB2 LEU A 5 8.042 12.889 -4.193 1.00 71.20 H new ATOM 0 HB3 LEU A 5 8.344 11.538 -3.119 1.00 71.20 H new ATOM 0 HG LEU A 5 8.212 10.920 -6.030 1.00 44.40 H new ATOM 0 HD11 LEU A 5 10.547 11.634 -6.369 1.00 52.43 H new ATOM 0 HD12 LEU A 5 9.478 13.015 -6.026 1.00 52.43 H new ATOM 0 HD13 LEU A 5 10.548 12.381 -4.754 1.00 52.43 H new ATOM 0 HD21 LEU A 5 10.062 9.412 -5.414 1.00 3.32 H new ATOM 0 HD22 LEU A 5 10.044 10.072 -3.762 1.00 3.32 H new ATOM 0 HD23 LEU A 5 8.638 9.170 -4.374 1.00 3.32 H new ATOM 71 N VAL A 6 5.440 13.180 -5.488 1.00 31.42 N ATOM 72 CA VAL A 6 4.838 13.757 -6.684 1.00 1.54 C ATOM 73 C VAL A 6 5.105 15.256 -6.763 1.00 53.44 C ATOM 74 O VAL A 6 5.823 15.723 -7.648 1.00 15.44 O ATOM 75 CB VAL A 6 3.318 13.515 -6.720 1.00 35.01 C ATOM 76 CG1 VAL A 6 2.695 14.204 -7.924 1.00 43.55 C ATOM 77 CG2 VAL A 6 3.016 12.024 -6.734 1.00 64.12 C ATOM 0 H VAL A 6 5.511 13.823 -4.699 1.00 31.42 H new ATOM 0 HA VAL A 6 5.297 13.263 -7.540 1.00 1.54 H new ATOM 0 HB VAL A 6 2.879 13.943 -5.819 1.00 35.01 H new ATOM 0 HG11 VAL A 6 1.620 14.021 -7.932 1.00 43.55 H new ATOM 0 HG12 VAL A 6 2.880 15.277 -7.866 1.00 43.55 H new ATOM 0 HG13 VAL A 6 3.137 13.809 -8.839 1.00 43.55 H new ATOM 0 HG21 VAL A 6 1.937 11.872 -6.759 1.00 64.12 H new ATOM 0 HG22 VAL A 6 3.468 11.570 -7.616 1.00 64.12 H new ATOM 0 HG23 VAL A 6 3.427 11.561 -5.837 1.00 64.12 H new ATOM 87 N SER A 7 4.522 16.006 -5.833 1.00 71.11 N ATOM 88 CA SER A 7 4.694 17.454 -5.800 1.00 33.43 C ATOM 89 C SER A 7 4.851 17.949 -4.365 1.00 64.04 C ATOM 90 O SER A 7 4.622 17.205 -3.412 1.00 24.45 O ATOM 91 CB SER A 7 3.501 18.145 -6.462 1.00 14.40 C ATOM 92 OG SER A 7 3.050 17.416 -7.590 1.00 73.30 O ATOM 0 H SER A 7 3.927 15.635 -5.093 1.00 71.11 H new ATOM 0 HA SER A 7 5.600 17.701 -6.353 1.00 33.43 H new ATOM 0 HB2 SER A 7 2.689 18.245 -5.742 1.00 14.40 H new ATOM 0 HB3 SER A 7 3.783 19.153 -6.766 1.00 14.40 H new ATOM 0 HG SER A 7 2.286 17.878 -7.994 1.00 73.30 H new ATOM 98 N ILE A 8 5.244 19.210 -4.222 1.00 10.24 N ATOM 99 CA ILE A 8 5.431 19.806 -2.905 1.00 25.04 C ATOM 100 C ILE A 8 5.016 21.273 -2.901 1.00 12.13 C ATOM 101 O ILE A 8 5.032 21.936 -3.938 1.00 4.45 O ATOM 102 CB ILE A 8 6.896 19.698 -2.441 1.00 62.21 C ATOM 103 CG1 ILE A 8 7.757 20.744 -3.152 1.00 24.22 C ATOM 104 CG2 ILE A 8 7.432 18.298 -2.701 1.00 32.33 C ATOM 105 CD1 ILE A 8 9.230 20.640 -2.821 1.00 52.10 C ATOM 0 H ILE A 8 5.439 19.838 -5.001 1.00 10.24 H new ATOM 0 HA ILE A 8 4.797 19.250 -2.215 1.00 25.04 H new ATOM 0 HB ILE A 8 6.937 19.888 -1.369 1.00 62.21 H new ATOM 0 HG12 ILE A 8 7.627 20.639 -4.229 1.00 24.22 H new ATOM 0 HG13 ILE A 8 7.402 21.739 -2.883 1.00 24.22 H new ATOM 0 HG21 ILE A 8 8.468 18.237 -2.368 1.00 32.33 H new ATOM 0 HG22 ILE A 8 6.832 17.571 -2.154 1.00 32.33 H new ATOM 0 HG23 ILE A 8 7.381 18.081 -3.768 1.00 32.33 H new ATOM 0 HD11 ILE A 8 9.779 21.412 -3.360 1.00 52.10 H new ATOM 0 HD12 ILE A 8 9.372 20.775 -1.749 1.00 52.10 H new ATOM 0 HD13 ILE A 8 9.601 19.658 -3.115 1.00 52.10 H new ATOM 117 N SER A 9 4.645 21.774 -1.727 1.00 11.32 N ATOM 118 CA SER A 9 4.223 23.163 -1.588 1.00 11.24 C ATOM 119 C SER A 9 5.245 23.964 -0.786 1.00 33.31 C ATOM 120 O SER A 9 5.381 23.783 0.424 1.00 24.31 O ATOM 121 CB SER A 9 2.854 23.237 -0.908 1.00 60.24 C ATOM 122 OG SER A 9 1.807 23.147 -1.859 1.00 63.24 O ATOM 0 H SER A 9 4.628 21.239 -0.859 1.00 11.32 H new ATOM 0 HA SER A 9 4.149 23.596 -2.586 1.00 11.24 H new ATOM 0 HB2 SER A 9 2.761 22.429 -0.182 1.00 60.24 H new ATOM 0 HB3 SER A 9 2.769 24.173 -0.356 1.00 60.24 H new ATOM 0 HG SER A 9 0.943 23.195 -1.400 1.00 63.24 H new ATOM 128 N VAL A 10 5.961 24.850 -1.470 1.00 1.20 N ATOM 129 CA VAL A 10 6.970 25.680 -0.823 1.00 43.11 C ATOM 130 C VAL A 10 6.642 27.161 -0.973 1.00 44.43 C ATOM 131 O VAL A 10 6.287 27.622 -2.058 1.00 43.21 O ATOM 132 CB VAL A 10 8.372 25.414 -1.404 1.00 11.42 C ATOM 133 CG1 VAL A 10 8.767 23.960 -1.200 1.00 65.23 C ATOM 134 CG2 VAL A 10 8.417 25.786 -2.878 1.00 54.32 C ATOM 0 H VAL A 10 5.861 25.012 -2.472 1.00 1.20 H new ATOM 0 HA VAL A 10 6.967 25.416 0.234 1.00 43.11 H new ATOM 0 HB VAL A 10 9.091 26.038 -0.874 1.00 11.42 H new ATOM 0 HG11 VAL A 10 9.760 23.791 -1.617 1.00 65.23 H new ATOM 0 HG12 VAL A 10 8.777 23.732 -0.134 1.00 65.23 H new ATOM 0 HG13 VAL A 10 8.048 23.314 -1.703 1.00 65.23 H new ATOM 0 HG21 VAL A 10 9.415 25.592 -3.272 1.00 54.32 H new ATOM 0 HG22 VAL A 10 7.688 25.190 -3.426 1.00 54.32 H new ATOM 0 HG23 VAL A 10 8.181 26.844 -2.994 1.00 54.32 H new ATOM 144 N SER A 11 6.764 27.903 0.123 1.00 24.00 N ATOM 145 CA SER A 11 6.478 29.333 0.115 1.00 73.35 C ATOM 146 C SER A 11 7.723 30.139 0.473 1.00 73.52 C ATOM 147 O SER A 11 7.795 30.786 1.517 1.00 11.24 O ATOM 148 CB SER A 11 5.349 29.654 1.096 1.00 73.23 C ATOM 149 OG SER A 11 4.646 30.819 0.701 1.00 53.13 O ATOM 0 H SER A 11 7.059 27.537 1.028 1.00 24.00 H new ATOM 0 HA SER A 11 6.165 29.610 -0.892 1.00 73.35 H new ATOM 0 HB2 SER A 11 4.660 28.811 1.151 1.00 73.23 H new ATOM 0 HB3 SER A 11 5.761 29.795 2.095 1.00 73.23 H new ATOM 0 HG SER A 11 3.929 31.002 1.343 1.00 53.13 H new ATOM 155 N PRO A 12 8.728 30.099 -0.414 1.00 71.54 N ATOM 156 CA PRO A 12 9.989 30.819 -0.215 1.00 52.21 C ATOM 157 C PRO A 12 9.817 32.330 -0.330 1.00 3.01 C ATOM 158 O PRO A 12 8.971 32.814 -1.082 1.00 42.53 O ATOM 159 CB PRO A 12 10.879 30.295 -1.344 1.00 64.22 C ATOM 160 CG PRO A 12 9.929 29.854 -2.403 1.00 34.42 C ATOM 161 CD PRO A 12 8.711 29.347 -1.681 1.00 12.13 C ATOM 0 HA PRO A 12 10.400 30.654 0.781 1.00 52.21 H new ATOM 0 HB2 PRO A 12 11.549 31.072 -1.712 1.00 64.22 H new ATOM 0 HB3 PRO A 12 11.504 29.469 -1.004 1.00 64.22 H new ATOM 0 HG2 PRO A 12 9.674 30.680 -3.067 1.00 34.42 H new ATOM 0 HG3 PRO A 12 10.370 29.072 -3.022 1.00 34.42 H new ATOM 0 HD2 PRO A 12 7.800 29.536 -2.248 1.00 12.13 H new ATOM 0 HD3 PRO A 12 8.763 28.272 -1.511 1.00 12.13 H new ATOM 169 N THR A 13 10.626 33.072 0.421 1.00 61.33 N ATOM 170 CA THR A 13 10.563 34.528 0.404 1.00 63.44 C ATOM 171 C THR A 13 11.861 35.128 -0.126 1.00 33.31 C ATOM 172 O THR A 13 12.910 35.017 0.507 1.00 50.52 O ATOM 173 CB THR A 13 10.285 35.094 1.808 1.00 14.55 C ATOM 174 OG1 THR A 13 9.035 34.595 2.299 1.00 3.51 O ATOM 175 CG2 THR A 13 10.254 36.615 1.782 1.00 12.21 C ATOM 0 H THR A 13 11.332 32.688 1.049 1.00 61.33 H new ATOM 0 HA THR A 13 9.742 34.802 -0.259 1.00 63.44 H new ATOM 0 HB THR A 13 11.089 34.774 2.470 1.00 14.55 H new ATOM 0 HG1 THR A 13 8.866 34.958 3.193 1.00 3.51 H new ATOM 0 HG21 THR A 13 10.056 36.992 2.785 1.00 12.21 H new ATOM 0 HG22 THR A 13 11.216 36.993 1.436 1.00 12.21 H new ATOM 0 HG23 THR A 13 9.468 36.951 1.106 1.00 12.21 H new ATOM 183 N ASN A 14 11.781 35.764 -1.290 1.00 63.53 N ATOM 184 CA ASN A 14 12.951 36.382 -1.905 1.00 34.22 C ATOM 185 C ASN A 14 13.057 37.853 -1.514 1.00 30.43 C ATOM 186 O ASN A 14 12.866 38.742 -2.343 1.00 73.43 O ATOM 187 CB ASN A 14 12.881 36.251 -3.428 1.00 2.23 C ATOM 188 CG ASN A 14 11.552 36.719 -3.988 1.00 41.42 C ATOM 189 OD1 ASN A 14 10.515 36.097 -3.758 1.00 10.52 O ATOM 190 ND2 ASN A 14 11.578 37.821 -4.729 1.00 12.20 N ATOM 0 H ASN A 14 10.919 35.865 -1.826 1.00 63.53 H new ATOM 0 HA ASN A 14 13.839 35.863 -1.543 1.00 34.22 H new ATOM 0 HB2 ASN A 14 13.686 36.832 -3.877 1.00 2.23 H new ATOM 0 HB3 ASN A 14 13.044 35.210 -3.708 1.00 2.23 H new ATOM 0 HD21 ASN A 14 10.715 38.184 -5.134 1.00 12.20 H new ATOM 0 HD22 ASN A 14 12.461 38.304 -4.893 1.00 12.20 H new ATOM 197 N SER A 15 13.364 38.101 -0.245 1.00 1.15 N ATOM 198 CA SER A 15 13.493 39.464 0.258 1.00 21.20 C ATOM 199 C SER A 15 14.793 39.634 1.038 1.00 0.32 C ATOM 200 O SER A 15 15.659 38.758 1.026 1.00 15.31 O ATOM 201 CB SER A 15 12.300 39.816 1.149 1.00 43.51 C ATOM 202 OG SER A 15 11.916 41.169 0.975 1.00 51.25 O ATOM 0 H SER A 15 13.528 37.376 0.454 1.00 1.15 H new ATOM 0 HA SER A 15 13.511 40.141 -0.596 1.00 21.20 H new ATOM 0 HB2 SER A 15 11.460 39.163 0.912 1.00 43.51 H new ATOM 0 HB3 SER A 15 12.557 39.639 2.193 1.00 43.51 H new ATOM 0 HG SER A 15 11.151 41.369 1.554 1.00 51.25 H new ATOM 208 N THR A 16 14.924 40.770 1.717 1.00 32.24 N ATOM 209 CA THR A 16 16.117 41.058 2.503 1.00 63.44 C ATOM 210 C THR A 16 15.811 41.038 3.996 1.00 61.12 C ATOM 211 O THR A 16 14.669 41.239 4.408 1.00 34.22 O ATOM 212 CB THR A 16 16.718 42.427 2.131 1.00 35.22 C ATOM 213 OG1 THR A 16 17.719 42.797 3.085 1.00 44.42 O ATOM 214 CG2 THR A 16 15.637 43.496 2.082 1.00 14.12 C ATOM 0 H THR A 16 14.218 41.506 1.738 1.00 32.24 H new ATOM 0 HA THR A 16 16.842 40.277 2.274 1.00 63.44 H new ATOM 0 HB THR A 16 17.171 42.345 1.143 1.00 35.22 H new ATOM 0 HG1 THR A 16 18.356 42.060 3.193 1.00 44.42 H new ATOM 0 HG21 THR A 16 16.084 44.454 1.818 1.00 14.12 H new ATOM 0 HG22 THR A 16 14.891 43.225 1.335 1.00 14.12 H new ATOM 0 HG23 THR A 16 15.160 43.576 3.059 1.00 14.12 H new ATOM 222 N VAL A 17 16.839 40.795 4.803 1.00 40.11 N ATOM 223 CA VAL A 17 16.680 40.751 6.252 1.00 52.15 C ATOM 224 C VAL A 17 17.799 41.515 6.951 1.00 55.02 C ATOM 225 O VAL A 17 18.892 41.669 6.408 1.00 23.22 O ATOM 226 CB VAL A 17 16.661 39.301 6.770 1.00 10.03 C ATOM 227 CG1 VAL A 17 18.034 38.663 6.623 1.00 50.12 C ATOM 228 CG2 VAL A 17 16.198 39.260 8.219 1.00 73.33 C ATOM 0 H VAL A 17 17.791 40.626 4.478 1.00 40.11 H new ATOM 0 HA VAL A 17 15.724 41.223 6.481 1.00 52.15 H new ATOM 0 HB VAL A 17 15.955 38.728 6.169 1.00 10.03 H new ATOM 0 HG11 VAL A 17 18.001 37.639 6.994 1.00 50.12 H new ATOM 0 HG12 VAL A 17 18.323 38.659 5.572 1.00 50.12 H new ATOM 0 HG13 VAL A 17 18.764 39.234 7.197 1.00 50.12 H new ATOM 0 HG21 VAL A 17 16.190 38.228 8.569 1.00 73.33 H new ATOM 0 HG22 VAL A 17 16.879 39.847 8.835 1.00 73.33 H new ATOM 0 HG23 VAL A 17 15.193 39.675 8.292 1.00 73.33 H new ATOM 238 N ALA A 18 17.517 41.992 8.159 1.00 32.40 N ATOM 239 CA ALA A 18 18.500 42.738 8.934 1.00 21.44 C ATOM 240 C ALA A 18 19.578 41.813 9.490 1.00 72.54 C ATOM 241 O ALA A 18 19.455 40.589 9.424 1.00 42.22 O ATOM 242 CB ALA A 18 17.818 43.494 10.064 1.00 34.04 C ATOM 0 H ALA A 18 16.616 41.875 8.622 1.00 32.40 H new ATOM 0 HA ALA A 18 18.981 43.456 8.269 1.00 21.44 H new ATOM 0 HB1 ALA A 18 18.564 44.047 10.634 1.00 34.04 H new ATOM 0 HB2 ALA A 18 17.090 44.191 9.648 1.00 34.04 H new ATOM 0 HB3 ALA A 18 17.310 42.787 10.720 1.00 34.04 H new ATOM 248 N LYS A 19 20.635 42.404 10.036 1.00 14.22 N ATOM 249 CA LYS A 19 21.735 41.634 10.604 1.00 72.11 C ATOM 250 C LYS A 19 21.247 40.750 11.747 1.00 30.13 C ATOM 251 O LYS A 19 20.646 41.234 12.706 1.00 65.51 O ATOM 252 CB LYS A 19 22.836 42.571 11.104 1.00 1.51 C ATOM 253 CG LYS A 19 24.240 42.043 10.865 1.00 72.00 C ATOM 254 CD LYS A 19 24.687 41.120 11.986 1.00 33.02 C ATOM 255 CE LYS A 19 26.071 40.550 11.720 1.00 24.41 C ATOM 256 NZ LYS A 19 26.453 39.525 12.731 1.00 0.24 N ATOM 0 H LYS A 19 20.753 43.415 10.097 1.00 14.22 H new ATOM 0 HA LYS A 19 22.140 40.994 9.820 1.00 72.11 H new ATOM 0 HB2 LYS A 19 22.731 43.537 10.610 1.00 1.51 H new ATOM 0 HB3 LYS A 19 22.698 42.742 12.172 1.00 1.51 H new ATOM 0 HG2 LYS A 19 24.271 41.507 9.917 1.00 72.00 H new ATOM 0 HG3 LYS A 19 24.935 42.879 10.782 1.00 72.00 H new ATOM 0 HD2 LYS A 19 24.693 41.667 12.929 1.00 33.02 H new ATOM 0 HD3 LYS A 19 23.971 40.305 12.095 1.00 33.02 H new ATOM 0 HE2 LYS A 19 26.095 40.105 10.725 1.00 24.41 H new ATOM 0 HE3 LYS A 19 26.804 41.357 11.727 1.00 24.41 H new ATOM 0 HZ1 LYS A 19 27.352 39.797 13.178 1.00 0.24 H new ATOM 0 HZ2 LYS A 19 25.711 39.460 13.457 1.00 0.24 H new ATOM 0 HZ3 LYS A 19 26.564 38.602 12.265 1.00 0.24 H new ATOM 270 N GLY A 20 21.511 39.451 11.639 1.00 13.14 N ATOM 271 CA GLY A 20 21.093 38.521 12.672 1.00 54.00 C ATOM 272 C GLY A 20 19.585 38.461 12.822 1.00 64.50 C ATOM 273 O GLY A 20 18.991 39.274 13.531 1.00 43.34 O ATOM 0 H GLY A 20 22.007 39.026 10.855 1.00 13.14 H new ATOM 0 HA2 GLY A 20 21.472 37.526 12.436 1.00 54.00 H new ATOM 0 HA3 GLY A 20 21.538 38.814 13.623 1.00 54.00 H new ATOM 277 N LEU A 21 18.964 37.496 12.153 1.00 63.32 N ATOM 278 CA LEU A 21 17.516 37.333 12.213 1.00 32.34 C ATOM 279 C LEU A 21 17.121 35.879 11.974 1.00 51.11 C ATOM 280 O LEU A 21 17.954 35.053 11.602 1.00 41.42 O ATOM 281 CB LEU A 21 16.838 38.234 11.180 1.00 12.32 C ATOM 282 CG LEU A 21 15.637 39.040 11.678 1.00 44.44 C ATOM 283 CD1 LEU A 21 15.863 40.527 11.453 1.00 51.41 C ATOM 284 CD2 LEU A 21 14.363 38.582 10.984 1.00 33.45 C ATOM 0 H LEU A 21 19.441 36.814 11.563 1.00 63.32 H new ATOM 0 HA LEU A 21 17.184 37.621 13.210 1.00 32.34 H new ATOM 0 HB2 LEU A 21 17.581 38.930 10.791 1.00 12.32 H new ATOM 0 HB3 LEU A 21 16.513 37.614 10.344 1.00 12.32 H new ATOM 0 HG LEU A 21 15.526 38.867 12.749 1.00 44.44 H new ATOM 0 HD11 LEU A 21 14.999 41.085 11.813 1.00 51.41 H new ATOM 0 HD12 LEU A 21 16.753 40.846 11.996 1.00 51.41 H new ATOM 0 HD13 LEU A 21 16.000 40.717 10.388 1.00 51.41 H new ATOM 0 HD21 LEU A 21 13.519 39.166 11.350 1.00 33.45 H new ATOM 0 HD22 LEU A 21 14.463 38.725 9.908 1.00 33.45 H new ATOM 0 HD23 LEU A 21 14.193 37.526 11.196 1.00 33.45 H new ATOM 296 N GLN A 22 15.845 35.575 12.188 1.00 72.10 N ATOM 297 CA GLN A 22 15.340 34.221 11.994 1.00 72.04 C ATOM 298 C GLN A 22 14.056 34.232 11.170 1.00 63.31 C ATOM 299 O GLN A 22 13.188 35.081 11.368 1.00 44.21 O ATOM 300 CB GLN A 22 15.087 33.549 13.345 1.00 41.54 C ATOM 301 CG GLN A 22 16.214 33.752 14.345 1.00 54.30 C ATOM 302 CD GLN A 22 16.659 32.456 14.993 1.00 0.31 C ATOM 303 OE1 GLN A 22 16.741 32.357 16.218 1.00 51.23 O ATOM 304 NE2 GLN A 22 16.950 31.453 14.173 1.00 52.32 N ATOM 0 H GLN A 22 15.142 36.248 12.496 1.00 72.10 H new ATOM 0 HA GLN A 22 16.095 33.653 11.450 1.00 72.04 H new ATOM 0 HB2 GLN A 22 14.162 33.940 13.768 1.00 41.54 H new ATOM 0 HB3 GLN A 22 14.939 32.480 13.188 1.00 41.54 H new ATOM 0 HG2 GLN A 22 17.064 34.212 13.841 1.00 54.30 H new ATOM 0 HG3 GLN A 22 15.888 34.447 15.118 1.00 54.30 H new ATOM 0 HE21 GLN A 22 16.868 31.579 13.164 1.00 52.32 H new ATOM 0 HE22 GLN A 22 17.255 30.557 14.552 1.00 52.32 H new ATOM 313 N GLU A 23 13.944 33.283 10.246 1.00 61.24 N ATOM 314 CA GLU A 23 12.766 33.185 9.391 1.00 5.12 C ATOM 315 C GLU A 23 12.283 31.741 9.294 1.00 20.13 C ATOM 316 O GLU A 23 13.018 30.857 8.856 1.00 42.42 O ATOM 317 CB GLU A 23 13.077 33.725 7.994 1.00 54.53 C ATOM 318 CG GLU A 23 12.208 34.905 7.591 1.00 40.32 C ATOM 319 CD GLU A 23 11.223 34.556 6.492 1.00 41.30 C ATOM 320 OE1 GLU A 23 10.101 34.116 6.820 1.00 62.13 O ATOM 321 OE2 GLU A 23 11.574 34.723 5.305 1.00 34.12 O ATOM 0 H GLU A 23 14.654 32.572 10.070 1.00 61.24 H new ATOM 0 HA GLU A 23 11.973 33.786 9.837 1.00 5.12 H new ATOM 0 HB2 GLU A 23 14.124 34.025 7.954 1.00 54.53 H new ATOM 0 HB3 GLU A 23 12.947 32.924 7.267 1.00 54.53 H new ATOM 0 HG2 GLU A 23 11.661 35.263 8.463 1.00 40.32 H new ATOM 0 HG3 GLU A 23 12.846 35.723 7.256 1.00 40.32 H new ATOM 328 N ASN A 24 11.041 31.510 9.708 1.00 62.22 N ATOM 329 CA ASN A 24 10.459 30.173 9.669 1.00 10.20 C ATOM 330 C ASN A 24 9.911 29.858 8.280 1.00 4.53 C ATOM 331 O ASN A 24 9.305 30.712 7.632 1.00 32.33 O ATOM 332 CB ASN A 24 9.344 30.050 10.709 1.00 32.33 C ATOM 333 CG ASN A 24 9.642 30.835 11.972 1.00 34.11 C ATOM 334 OD1 ASN A 24 9.593 32.065 11.978 1.00 73.05 O ATOM 335 ND2 ASN A 24 9.953 30.125 13.050 1.00 35.04 N ATOM 0 H ASN A 24 10.419 32.231 10.074 1.00 62.22 H new ATOM 0 HA ASN A 24 11.245 29.455 9.901 1.00 10.20 H new ATOM 0 HB2 ASN A 24 8.408 30.403 10.277 1.00 32.33 H new ATOM 0 HB3 ASN A 24 9.202 28.999 10.963 1.00 32.33 H new ATOM 0 HD21 ASN A 24 10.163 30.598 13.929 1.00 35.04 H new ATOM 0 HD22 ASN A 24 9.982 29.107 12.999 1.00 35.04 H new ATOM 342 N PHE A 25 10.129 28.628 7.829 1.00 22.54 N ATOM 343 CA PHE A 25 9.658 28.199 6.517 1.00 1.44 C ATOM 344 C PHE A 25 8.612 27.096 6.648 1.00 11.45 C ATOM 345 O PHE A 25 8.424 26.527 7.724 1.00 62.01 O ATOM 346 CB PHE A 25 10.831 27.707 5.667 1.00 53.24 C ATOM 347 CG PHE A 25 11.281 28.701 4.634 1.00 31.22 C ATOM 348 CD1 PHE A 25 11.461 30.033 4.968 1.00 4.32 C ATOM 349 CD2 PHE A 25 11.523 28.302 3.329 1.00 1.33 C ATOM 350 CE1 PHE A 25 11.876 30.950 4.021 1.00 50.24 C ATOM 351 CE2 PHE A 25 11.938 29.215 2.378 1.00 62.43 C ATOM 352 CZ PHE A 25 12.114 30.540 2.723 1.00 14.33 C ATOM 0 H PHE A 25 10.629 27.910 8.353 1.00 22.54 H new ATOM 0 HA PHE A 25 9.197 29.056 6.026 1.00 1.44 H new ATOM 0 HB2 PHE A 25 11.670 27.470 6.322 1.00 53.24 H new ATOM 0 HB3 PHE A 25 10.545 26.781 5.168 1.00 53.24 H new ATOM 0 HD1 PHE A 25 11.275 30.359 5.981 1.00 4.32 H new ATOM 0 HD2 PHE A 25 11.386 27.267 3.052 1.00 1.33 H new ATOM 0 HE1 PHE A 25 12.014 31.986 4.295 1.00 50.24 H new ATOM 0 HE2 PHE A 25 12.125 28.892 1.365 1.00 62.43 H new ATOM 0 HZ PHE A 25 12.437 31.254 1.980 1.00 14.33 H new ATOM 362 N LYS A 26 7.932 26.800 5.546 1.00 41.00 N ATOM 363 CA LYS A 26 6.905 25.765 5.535 1.00 52.42 C ATOM 364 C LYS A 26 6.935 24.983 4.226 1.00 54.23 C ATOM 365 O LYS A 26 6.984 25.567 3.144 1.00 44.52 O ATOM 366 CB LYS A 26 5.522 26.389 5.738 1.00 71.35 C ATOM 367 CG LYS A 26 4.916 26.095 7.099 1.00 2.42 C ATOM 368 CD LYS A 26 3.914 24.955 7.030 1.00 41.32 C ATOM 369 CE LYS A 26 4.085 23.991 8.194 1.00 11.51 C ATOM 370 NZ LYS A 26 3.655 24.598 9.484 1.00 14.21 N ATOM 0 H LYS A 26 8.074 27.263 4.648 1.00 41.00 H new ATOM 0 HA LYS A 26 7.110 25.075 6.354 1.00 52.42 H new ATOM 0 HB2 LYS A 26 5.597 27.469 5.609 1.00 71.35 H new ATOM 0 HB3 LYS A 26 4.849 26.021 4.963 1.00 71.35 H new ATOM 0 HG2 LYS A 26 5.708 25.842 7.804 1.00 2.42 H new ATOM 0 HG3 LYS A 26 4.424 26.990 7.480 1.00 2.42 H new ATOM 0 HD2 LYS A 26 2.901 25.358 7.036 1.00 41.32 H new ATOM 0 HD3 LYS A 26 4.037 24.417 6.090 1.00 41.32 H new ATOM 0 HE2 LYS A 26 3.504 23.088 8.006 1.00 11.51 H new ATOM 0 HE3 LYS A 26 5.130 23.689 8.265 1.00 11.51 H new ATOM 0 HZ1 LYS A 26 3.787 23.910 10.253 1.00 14.21 H new ATOM 0 HZ2 LYS A 26 4.226 25.446 9.676 1.00 14.21 H new ATOM 0 HZ3 LYS A 26 2.651 24.863 9.425 1.00 14.21 H new ATOM 384 N ALA A 27 6.902 23.659 4.332 1.00 22.10 N ATOM 385 CA ALA A 27 6.922 22.797 3.156 1.00 11.44 C ATOM 386 C ALA A 27 5.945 21.636 3.310 1.00 4.32 C ATOM 387 O ALA A 27 5.918 20.967 4.343 1.00 30.44 O ATOM 388 CB ALA A 27 8.330 22.276 2.907 1.00 15.34 C ATOM 0 H ALA A 27 6.861 23.159 5.220 1.00 22.10 H new ATOM 0 HA ALA A 27 6.609 23.389 2.296 1.00 11.44 H new ATOM 0 HB1 ALA A 27 8.330 21.634 2.026 1.00 15.34 H new ATOM 0 HB2 ALA A 27 9.005 23.116 2.744 1.00 15.34 H new ATOM 0 HB3 ALA A 27 8.665 21.704 3.773 1.00 15.34 H new ATOM 394 N THR A 28 5.143 21.402 2.276 1.00 4.30 N ATOM 395 CA THR A 28 4.164 20.323 2.297 1.00 10.31 C ATOM 396 C THR A 28 4.453 19.297 1.208 1.00 61.11 C ATOM 397 O THR A 28 4.562 19.640 0.031 1.00 34.33 O ATOM 398 CB THR A 28 2.732 20.861 2.113 1.00 21.33 C ATOM 399 OG1 THR A 28 2.705 22.273 2.347 1.00 42.24 O ATOM 400 CG2 THR A 28 1.767 20.166 3.063 1.00 44.34 C ATOM 0 H THR A 28 5.153 21.946 1.413 1.00 4.30 H new ATOM 0 HA THR A 28 4.242 19.844 3.273 1.00 10.31 H new ATOM 0 HB THR A 28 2.420 20.657 1.089 1.00 21.33 H new ATOM 0 HG1 THR A 28 1.792 22.607 2.226 1.00 42.24 H new ATOM 0 HG21 THR A 28 0.762 20.562 2.915 1.00 44.34 H new ATOM 0 HG22 THR A 28 1.768 19.095 2.863 1.00 44.34 H new ATOM 0 HG23 THR A 28 2.079 20.343 4.092 1.00 44.34 H new ATOM 408 N GLY A 29 4.576 18.035 1.608 1.00 64.22 N ATOM 409 CA GLY A 29 4.851 16.977 0.653 1.00 44.43 C ATOM 410 C GLY A 29 3.586 16.336 0.118 1.00 65.03 C ATOM 411 O GLY A 29 2.615 16.158 0.853 1.00 74.25 O ATOM 0 H GLY A 29 4.490 17.726 2.576 1.00 64.22 H new ATOM 0 HA2 GLY A 29 5.428 17.383 -0.178 1.00 44.43 H new ATOM 0 HA3 GLY A 29 5.468 16.214 1.128 1.00 44.43 H new ATOM 415 N ILE A 30 3.597 15.990 -1.165 1.00 65.20 N ATOM 416 CA ILE A 30 2.442 15.365 -1.797 1.00 50.31 C ATOM 417 C ILE A 30 2.769 13.952 -2.267 1.00 44.00 C ATOM 418 O ILE A 30 3.916 13.644 -2.592 1.00 43.44 O ATOM 419 CB ILE A 30 1.943 16.191 -2.998 1.00 34.43 C ATOM 420 CG1 ILE A 30 1.823 17.667 -2.615 1.00 12.21 C ATOM 421 CG2 ILE A 30 0.606 15.655 -3.489 1.00 41.13 C ATOM 422 CD1 ILE A 30 0.818 17.926 -1.515 1.00 13.54 C ATOM 0 H ILE A 30 4.393 16.132 -1.787 1.00 65.20 H new ATOM 0 HA ILE A 30 1.655 15.321 -1.044 1.00 50.31 H new ATOM 0 HB ILE A 30 2.668 16.103 -3.808 1.00 34.43 H new ATOM 0 HG12 ILE A 30 2.800 18.032 -2.297 1.00 12.21 H new ATOM 0 HG13 ILE A 30 1.540 18.241 -3.497 1.00 12.21 H new ATOM 0 HG21 ILE A 30 0.266 16.248 -4.338 1.00 41.13 H new ATOM 0 HG22 ILE A 30 0.721 14.615 -3.796 1.00 41.13 H new ATOM 0 HG23 ILE A 30 -0.128 15.717 -2.686 1.00 41.13 H new ATOM 0 HD11 ILE A 30 0.786 18.993 -1.295 1.00 13.54 H new ATOM 0 HD12 ILE A 30 -0.168 17.592 -1.837 1.00 13.54 H new ATOM 0 HD13 ILE A 30 1.111 17.380 -0.618 1.00 13.54 H new ATOM 434 N PHE A 31 1.754 13.096 -2.302 1.00 33.22 N ATOM 435 CA PHE A 31 1.933 11.714 -2.733 1.00 53.31 C ATOM 436 C PHE A 31 1.011 11.386 -3.904 1.00 40.31 C ATOM 437 O PHE A 31 -0.010 12.043 -4.109 1.00 52.42 O ATOM 438 CB PHE A 31 1.661 10.756 -1.572 1.00 22.13 C ATOM 439 CG PHE A 31 2.724 10.783 -0.511 1.00 65.11 C ATOM 440 CD1 PHE A 31 2.834 11.861 0.352 1.00 53.32 C ATOM 441 CD2 PHE A 31 3.615 9.730 -0.378 1.00 21.14 C ATOM 442 CE1 PHE A 31 3.811 11.889 1.329 1.00 13.11 C ATOM 443 CE2 PHE A 31 4.594 9.752 0.598 1.00 32.10 C ATOM 444 CZ PHE A 31 4.693 10.833 1.452 1.00 54.44 C ATOM 0 H PHE A 31 0.798 13.335 -2.037 1.00 33.22 H new ATOM 0 HA PHE A 31 2.965 11.593 -3.061 1.00 53.31 H new ATOM 0 HB2 PHE A 31 0.702 11.008 -1.120 1.00 22.13 H new ATOM 0 HB3 PHE A 31 1.573 9.742 -1.961 1.00 22.13 H new ATOM 0 HD1 PHE A 31 2.148 12.690 0.260 1.00 53.32 H new ATOM 0 HD2 PHE A 31 3.544 8.883 -1.044 1.00 21.14 H new ATOM 0 HE1 PHE A 31 3.885 12.736 1.996 1.00 13.11 H new ATOM 0 HE2 PHE A 31 5.281 8.924 0.693 1.00 32.10 H new ATOM 0 HZ PHE A 31 5.458 10.853 2.214 1.00 54.44 H new ATOM 454 N THR A 32 1.379 10.365 -4.671 1.00 61.31 N ATOM 455 CA THR A 32 0.588 9.950 -5.823 1.00 31.55 C ATOM 456 C THR A 32 -0.747 9.355 -5.387 1.00 44.21 C ATOM 457 O THR A 32 -1.646 9.160 -6.205 1.00 13.24 O ATOM 458 CB THR A 32 1.342 8.915 -6.679 1.00 45.42 C ATOM 459 OG1 THR A 32 0.598 8.627 -7.868 1.00 33.23 O ATOM 460 CG2 THR A 32 1.576 7.632 -5.897 1.00 22.21 C ATOM 0 H THR A 32 2.220 9.810 -4.515 1.00 61.31 H new ATOM 0 HA THR A 32 0.408 10.843 -6.421 1.00 31.55 H new ATOM 0 HB THR A 32 2.310 9.337 -6.950 1.00 45.42 H new ATOM 0 HG1 THR A 32 -0.351 8.820 -7.715 1.00 33.23 H new ATOM 0 HG21 THR A 32 2.110 6.917 -6.523 1.00 22.21 H new ATOM 0 HG22 THR A 32 2.169 7.850 -5.009 1.00 22.21 H new ATOM 0 HG23 THR A 32 0.617 7.208 -5.598 1.00 22.21 H new ATOM 468 N ASP A 33 -0.868 9.070 -4.095 1.00 74.25 N ATOM 469 CA ASP A 33 -2.095 8.499 -3.551 1.00 21.00 C ATOM 470 C ASP A 33 -3.069 9.598 -3.138 1.00 31.21 C ATOM 471 O ASP A 33 -4.016 9.353 -2.392 1.00 75.34 O ATOM 472 CB ASP A 33 -1.778 7.604 -2.352 1.00 3.22 C ATOM 473 CG ASP A 33 -2.804 6.504 -2.163 1.00 3.12 C ATOM 474 OD1 ASP A 33 -2.906 5.629 -3.049 1.00 12.44 O ATOM 475 OD2 ASP A 33 -3.503 6.517 -1.129 1.00 14.32 O ATOM 0 H ASP A 33 -0.132 9.225 -3.406 1.00 74.25 H new ATOM 0 HA ASP A 33 -2.563 7.897 -4.330 1.00 21.00 H new ATOM 0 HB2 ASP A 33 -0.792 7.158 -2.486 1.00 3.22 H new ATOM 0 HB3 ASP A 33 -1.733 8.213 -1.449 1.00 3.22 H new ATOM 480 N ASN A 34 -2.828 10.810 -3.627 1.00 71.11 N ATOM 481 CA ASN A 34 -3.683 11.947 -3.307 1.00 53.13 C ATOM 482 C ASN A 34 -3.623 12.271 -1.818 1.00 35.24 C ATOM 483 O ASN A 34 -4.462 13.006 -1.297 1.00 55.25 O ATOM 484 CB ASN A 34 -5.128 11.658 -3.720 1.00 62.51 C ATOM 485 CG ASN A 34 -5.212 10.761 -4.940 1.00 62.31 C ATOM 486 OD1 ASN A 34 -4.814 11.149 -6.038 1.00 50.25 O ATOM 487 ND2 ASN A 34 -5.732 9.553 -4.752 1.00 3.30 N ATOM 0 H ASN A 34 -2.048 11.030 -4.246 1.00 71.11 H new ATOM 0 HA ASN A 34 -3.319 12.811 -3.863 1.00 53.13 H new ATOM 0 HB2 ASN A 34 -5.653 11.187 -2.889 1.00 62.51 H new ATOM 0 HB3 ASN A 34 -5.639 12.598 -3.928 1.00 62.51 H new ATOM 0 HD21 ASN A 34 -5.814 8.905 -5.536 1.00 3.30 H new ATOM 0 HD22 ASN A 34 -6.049 9.273 -3.824 1.00 3.30 H new ATOM 494 N SER A 35 -2.625 11.717 -1.137 1.00 33.22 N ATOM 495 CA SER A 35 -2.457 11.944 0.294 1.00 72.42 C ATOM 496 C SER A 35 -1.308 12.912 0.559 1.00 32.41 C ATOM 497 O SER A 35 -0.148 12.603 0.292 1.00 61.32 O ATOM 498 CB SER A 35 -2.200 10.619 1.015 1.00 40.01 C ATOM 499 OG SER A 35 -3.351 10.192 1.724 1.00 44.35 O ATOM 0 H SER A 35 -1.921 11.108 -1.553 1.00 33.22 H new ATOM 0 HA SER A 35 -3.377 12.386 0.678 1.00 72.42 H new ATOM 0 HB2 SER A 35 -1.912 9.857 0.291 1.00 40.01 H new ATOM 0 HB3 SER A 35 -1.365 10.734 1.706 1.00 40.01 H new ATOM 0 HG SER A 35 -3.161 9.343 2.174 1.00 44.35 H new ATOM 505 N ASN A 36 -1.641 14.085 1.087 1.00 13.00 N ATOM 506 CA ASN A 36 -0.638 15.100 1.388 1.00 32.15 C ATOM 507 C ASN A 36 -0.143 14.966 2.825 1.00 35.34 C ATOM 508 O ASN A 36 -0.919 14.674 3.735 1.00 35.13 O ATOM 509 CB ASN A 36 -1.215 16.499 1.164 1.00 0.24 C ATOM 510 CG ASN A 36 -2.192 16.543 0.006 1.00 72.04 C ATOM 511 OD1 ASN A 36 -3.285 17.098 0.121 1.00 31.23 O ATOM 512 ND2 ASN A 36 -1.802 15.956 -1.120 1.00 2.02 N ATOM 0 H ASN A 36 -2.597 14.356 1.315 1.00 13.00 H new ATOM 0 HA ASN A 36 0.207 14.951 0.716 1.00 32.15 H new ATOM 0 HB2 ASN A 36 -1.717 16.831 2.072 1.00 0.24 H new ATOM 0 HB3 ASN A 36 -0.401 17.199 0.976 1.00 0.24 H new ATOM 0 HD21 ASN A 36 -2.417 15.954 -1.934 1.00 2.02 H new ATOM 0 HD22 ASN A 36 -0.887 15.508 -1.171 1.00 2.02 H new ATOM 519 N SER A 37 1.153 15.181 3.022 1.00 44.34 N ATOM 520 CA SER A 37 1.753 15.082 4.347 1.00 30.51 C ATOM 521 C SER A 37 2.695 16.254 4.607 1.00 35.50 C ATOM 522 O SER A 37 3.283 16.809 3.679 1.00 20.12 O ATOM 523 CB SER A 37 2.513 13.761 4.488 1.00 12.22 C ATOM 524 OG SER A 37 1.633 12.654 4.400 1.00 15.20 O ATOM 0 H SER A 37 1.809 15.425 2.280 1.00 44.34 H new ATOM 0 HA SER A 37 0.951 15.113 5.085 1.00 30.51 H new ATOM 0 HB2 SER A 37 3.271 13.689 3.708 1.00 12.22 H new ATOM 0 HB3 SER A 37 3.036 13.739 5.444 1.00 12.22 H new ATOM 0 HG SER A 37 2.143 11.822 4.491 1.00 15.20 H new ATOM 530 N ASP A 38 2.831 16.624 5.875 1.00 23.04 N ATOM 531 CA ASP A 38 3.702 17.729 6.259 1.00 12.25 C ATOM 532 C ASP A 38 5.122 17.237 6.521 1.00 33.15 C ATOM 533 O ASP A 38 5.324 16.231 7.202 1.00 5.01 O ATOM 534 CB ASP A 38 3.154 18.429 7.504 1.00 53.30 C ATOM 535 CG ASP A 38 3.145 17.525 8.721 1.00 60.24 C ATOM 536 OD1 ASP A 38 3.117 16.289 8.541 1.00 32.04 O ATOM 537 OD2 ASP A 38 3.167 18.053 9.852 1.00 64.41 O ATOM 0 H ASP A 38 2.350 16.175 6.654 1.00 23.04 H new ATOM 0 HA ASP A 38 3.730 18.440 5.434 1.00 12.25 H new ATOM 0 HB2 ASP A 38 3.757 19.312 7.716 1.00 53.30 H new ATOM 0 HB3 ASP A 38 2.140 18.776 7.305 1.00 53.30 H new ATOM 542 N ILE A 39 6.100 17.951 5.976 1.00 2.41 N ATOM 543 CA ILE A 39 7.501 17.587 6.151 1.00 35.11 C ATOM 544 C ILE A 39 7.669 16.073 6.231 1.00 13.43 C ATOM 545 O ILE A 39 8.373 15.561 7.101 1.00 23.55 O ATOM 546 CB ILE A 39 8.094 18.226 7.420 1.00 3.13 C ATOM 547 CG1 ILE A 39 7.353 17.729 8.663 1.00 55.12 C ATOM 548 CG2 ILE A 39 8.029 19.743 7.329 1.00 1.44 C ATOM 549 CD1 ILE A 39 6.162 18.584 9.038 1.00 21.40 C ATOM 0 H ILE A 39 5.949 18.785 5.409 1.00 2.41 H new ATOM 0 HA ILE A 39 8.037 17.964 5.280 1.00 35.11 H new ATOM 0 HB ILE A 39 9.140 17.931 7.502 1.00 3.13 H new ATOM 0 HG12 ILE A 39 7.016 16.707 8.491 1.00 55.12 H new ATOM 0 HG13 ILE A 39 8.047 17.699 9.503 1.00 55.12 H new ATOM 0 HG21 ILE A 39 8.452 20.180 8.233 1.00 1.44 H new ATOM 0 HG22 ILE A 39 8.598 20.080 6.463 1.00 1.44 H new ATOM 0 HG23 ILE A 39 6.990 20.057 7.226 1.00 1.44 H new ATOM 0 HD11 ILE A 39 5.685 18.173 9.928 1.00 21.40 H new ATOM 0 HD12 ILE A 39 6.495 19.602 9.242 1.00 21.40 H new ATOM 0 HD13 ILE A 39 5.448 18.594 8.215 1.00 21.40 H new ATOM 561 N THR A 40 7.018 15.362 5.316 1.00 20.31 N ATOM 562 CA THR A 40 7.096 13.907 5.282 1.00 35.22 C ATOM 563 C THR A 40 8.502 13.439 4.926 1.00 51.35 C ATOM 564 O THR A 40 9.020 12.491 5.516 1.00 13.43 O ATOM 565 CB THR A 40 6.098 13.315 4.269 1.00 34.52 C ATOM 566 OG1 THR A 40 6.241 11.891 4.216 1.00 72.24 O ATOM 567 CG2 THR A 40 6.318 13.904 2.884 1.00 3.03 C ATOM 0 H THR A 40 6.431 15.770 4.589 1.00 20.31 H new ATOM 0 HA THR A 40 6.841 13.554 6.281 1.00 35.22 H new ATOM 0 HB THR A 40 5.089 13.567 4.597 1.00 34.52 H new ATOM 0 HG1 THR A 40 5.356 11.476 4.151 1.00 72.24 H new ATOM 0 HG21 THR A 40 5.602 13.471 2.186 1.00 3.03 H new ATOM 0 HG22 THR A 40 6.179 14.984 2.922 1.00 3.03 H new ATOM 0 HG23 THR A 40 7.331 13.680 2.550 1.00 3.03 H new ATOM 575 N ASP A 41 9.115 14.110 3.957 1.00 43.12 N ATOM 576 CA ASP A 41 10.464 13.764 3.523 1.00 52.15 C ATOM 577 C ASP A 41 11.502 14.628 4.232 1.00 33.13 C ATOM 578 O ASP A 41 12.686 14.592 3.898 1.00 35.53 O ATOM 579 CB ASP A 41 10.593 13.931 2.008 1.00 62.23 C ATOM 580 CG ASP A 41 11.264 12.741 1.349 1.00 34.15 C ATOM 581 OD1 ASP A 41 10.769 11.608 1.527 1.00 13.51 O ATOM 582 OD2 ASP A 41 12.284 12.942 0.658 1.00 51.15 O ATOM 0 H ASP A 41 8.700 14.896 3.457 1.00 43.12 H new ATOM 0 HA ASP A 41 10.647 12.721 3.784 1.00 52.15 H new ATOM 0 HB2 ASP A 41 9.602 14.071 1.575 1.00 62.23 H new ATOM 0 HB3 ASP A 41 11.166 14.833 1.792 1.00 62.23 H new ATOM 587 N GLN A 42 11.048 15.404 5.212 1.00 65.14 N ATOM 588 CA GLN A 42 11.938 16.278 5.967 1.00 42.13 C ATOM 589 C GLN A 42 12.503 17.380 5.076 1.00 24.14 C ATOM 590 O GLN A 42 13.437 17.153 4.307 1.00 22.20 O ATOM 591 CB GLN A 42 13.080 15.469 6.584 1.00 61.42 C ATOM 592 CG GLN A 42 12.974 15.320 8.093 1.00 71.51 C ATOM 593 CD GLN A 42 11.563 15.004 8.550 1.00 5.03 C ATOM 594 OE1 GLN A 42 11.116 13.859 8.475 1.00 15.52 O ATOM 595 NE2 GLN A 42 10.855 16.020 9.028 1.00 14.13 N ATOM 0 H GLN A 42 10.071 15.445 5.501 1.00 65.14 H new ATOM 0 HA GLN A 42 11.359 16.742 6.765 1.00 42.13 H new ATOM 0 HB2 GLN A 42 13.099 14.478 6.130 1.00 61.42 H new ATOM 0 HB3 GLN A 42 14.028 15.950 6.340 1.00 61.42 H new ATOM 0 HG2 GLN A 42 13.645 14.528 8.424 1.00 71.51 H new ATOM 0 HG3 GLN A 42 13.309 16.241 8.570 1.00 71.51 H new ATOM 0 HE21 GLN A 42 11.266 16.952 9.072 1.00 14.13 H new ATOM 0 HE22 GLN A 42 9.900 15.868 9.352 1.00 14.13 H new ATOM 604 N VAL A 43 11.931 18.575 5.186 1.00 72.51 N ATOM 605 CA VAL A 43 12.378 19.712 4.391 1.00 11.34 C ATOM 606 C VAL A 43 13.895 19.855 4.441 1.00 11.22 C ATOM 607 O VAL A 43 14.470 20.128 5.496 1.00 63.55 O ATOM 608 CB VAL A 43 11.733 21.024 4.877 1.00 4.13 C ATOM 609 CG1 VAL A 43 11.953 21.206 6.372 1.00 72.45 C ATOM 610 CG2 VAL A 43 12.288 22.209 4.101 1.00 54.11 C ATOM 0 H VAL A 43 11.157 18.780 5.818 1.00 72.51 H new ATOM 0 HA VAL A 43 12.068 19.522 3.363 1.00 11.34 H new ATOM 0 HB VAL A 43 10.660 20.970 4.696 1.00 4.13 H new ATOM 0 HG11 VAL A 43 11.490 22.138 6.697 1.00 72.45 H new ATOM 0 HG12 VAL A 43 11.504 20.371 6.910 1.00 72.45 H new ATOM 0 HG13 VAL A 43 13.022 21.239 6.581 1.00 72.45 H new ATOM 0 HG21 VAL A 43 11.822 23.128 4.457 1.00 54.11 H new ATOM 0 HG22 VAL A 43 13.366 22.268 4.249 1.00 54.11 H new ATOM 0 HG23 VAL A 43 12.074 22.081 3.040 1.00 54.11 H new ATOM 620 N THR A 44 14.539 19.670 3.293 1.00 4.22 N ATOM 621 CA THR A 44 15.990 19.778 3.205 1.00 21.33 C ATOM 622 C THR A 44 16.430 21.235 3.131 1.00 51.41 C ATOM 623 O THR A 44 15.951 21.996 2.289 1.00 23.43 O ATOM 624 CB THR A 44 16.536 19.025 1.977 1.00 52.52 C ATOM 625 OG1 THR A 44 15.940 17.726 1.894 1.00 51.03 O ATOM 626 CG2 THR A 44 18.049 18.891 2.053 1.00 41.12 C ATOM 0 H THR A 44 14.079 19.445 2.411 1.00 4.22 H new ATOM 0 HA THR A 44 16.396 19.325 4.110 1.00 21.33 H new ATOM 0 HB THR A 44 16.283 19.598 1.085 1.00 52.52 H new ATOM 0 HG1 THR A 44 15.260 17.723 1.188 1.00 51.03 H new ATOM 0 HG21 THR A 44 18.411 18.356 1.175 1.00 41.12 H new ATOM 0 HG22 THR A 44 18.501 19.882 2.086 1.00 41.12 H new ATOM 0 HG23 THR A 44 18.321 18.338 2.952 1.00 41.12 H new ATOM 634 N TRP A 45 17.344 21.618 4.015 1.00 15.44 N ATOM 635 CA TRP A 45 17.848 22.986 4.049 1.00 44.42 C ATOM 636 C TRP A 45 19.264 23.058 3.488 1.00 62.04 C ATOM 637 O TRP A 45 20.057 22.132 3.659 1.00 62.12 O ATOM 638 CB TRP A 45 17.826 23.525 5.480 1.00 10.21 C ATOM 639 CG TRP A 45 18.530 22.636 6.461 1.00 54.45 C ATOM 640 CD1 TRP A 45 18.000 21.565 7.122 1.00 3.43 C ATOM 641 CD2 TRP A 45 19.891 22.743 6.891 1.00 40.54 C ATOM 642 NE1 TRP A 45 18.951 21.000 7.938 1.00 12.20 N ATOM 643 CE2 TRP A 45 20.119 21.704 7.813 1.00 24.13 C ATOM 644 CE3 TRP A 45 20.940 23.615 6.585 1.00 72.23 C ATOM 645 CZ2 TRP A 45 21.353 21.515 8.432 1.00 54.44 C ATOM 646 CZ3 TRP A 45 22.163 23.427 7.199 1.00 30.54 C ATOM 647 CH2 TRP A 45 22.362 22.383 8.114 1.00 54.34 C ATOM 0 H TRP A 45 17.751 21.001 4.718 1.00 15.44 H new ATOM 0 HA TRP A 45 17.198 23.601 3.427 1.00 44.42 H new ATOM 0 HB2 TRP A 45 18.290 24.511 5.496 1.00 10.21 H new ATOM 0 HB3 TRP A 45 16.791 23.655 5.796 1.00 10.21 H new ATOM 0 HD1 TRP A 45 16.984 21.214 7.019 1.00 3.43 H new ATOM 0 HE1 TRP A 45 18.810 20.188 8.539 1.00 12.20 H new ATOM 0 HE3 TRP A 45 20.797 24.421 5.881 1.00 72.23 H new ATOM 0 HZ2 TRP A 45 21.508 20.712 9.138 1.00 54.44 H new ATOM 0 HZ3 TRP A 45 22.980 24.095 6.971 1.00 30.54 H new ATOM 0 HH2 TRP A 45 23.330 22.262 8.577 1.00 54.34 H new ATOM 658 N ASP A 46 19.575 24.162 2.818 1.00 43.13 N ATOM 659 CA ASP A 46 20.897 24.355 2.232 1.00 30.44 C ATOM 660 C ASP A 46 21.244 25.838 2.149 1.00 31.24 C ATOM 661 O ASP A 46 20.375 26.676 1.910 1.00 11.20 O ATOM 662 CB ASP A 46 20.958 23.725 0.840 1.00 41.12 C ATOM 663 CG ASP A 46 22.274 23.019 0.581 1.00 63.21 C ATOM 664 OD1 ASP A 46 23.227 23.687 0.128 1.00 65.23 O ATOM 665 OD2 ASP A 46 22.352 21.798 0.832 1.00 14.22 O ATOM 0 H ASP A 46 18.930 24.937 2.667 1.00 43.13 H new ATOM 0 HA ASP A 46 21.628 23.866 2.876 1.00 30.44 H new ATOM 0 HB2 ASP A 46 20.140 23.013 0.730 1.00 41.12 H new ATOM 0 HB3 ASP A 46 20.810 24.499 0.087 1.00 41.12 H new ATOM 670 N SER A 47 22.519 26.154 2.350 1.00 42.21 N ATOM 671 CA SER A 47 22.980 27.537 2.303 1.00 62.23 C ATOM 672 C SER A 47 24.163 27.683 1.350 1.00 21.22 C ATOM 673 O SER A 47 25.053 26.833 1.313 1.00 2.34 O ATOM 674 CB SER A 47 23.376 28.013 3.702 1.00 72.22 C ATOM 675 OG SER A 47 24.784 28.025 3.857 1.00 23.42 O ATOM 0 H SER A 47 23.251 25.472 2.547 1.00 42.21 H new ATOM 0 HA SER A 47 22.161 28.155 1.935 1.00 62.23 H new ATOM 0 HB2 SER A 47 22.979 29.013 3.875 1.00 72.22 H new ATOM 0 HB3 SER A 47 22.930 27.359 4.452 1.00 72.22 H new ATOM 0 HG SER A 47 25.011 28.334 4.759 1.00 23.42 H new ATOM 681 N SER A 48 24.165 28.767 0.581 1.00 73.54 N ATOM 682 CA SER A 48 25.235 29.023 -0.376 1.00 3.44 C ATOM 683 C SER A 48 26.485 29.536 0.333 1.00 3.02 C ATOM 684 O SER A 48 27.532 29.721 -0.287 1.00 32.44 O ATOM 685 CB SER A 48 24.778 30.038 -1.425 1.00 11.30 C ATOM 686 OG SER A 48 25.887 30.654 -2.057 1.00 21.41 O ATOM 0 H SER A 48 23.438 29.482 0.602 1.00 73.54 H new ATOM 0 HA SER A 48 25.478 28.083 -0.872 1.00 3.44 H new ATOM 0 HB2 SER A 48 24.160 29.540 -2.172 1.00 11.30 H new ATOM 0 HB3 SER A 48 24.156 30.799 -0.953 1.00 11.30 H new ATOM 0 HG SER A 48 26.716 30.233 -1.747 1.00 21.41 H new ATOM 692 N ASN A 49 26.367 29.764 1.637 1.00 31.13 N ATOM 693 CA ASN A 49 27.487 30.256 2.432 1.00 75.11 C ATOM 694 C ASN A 49 27.872 31.671 2.011 1.00 63.32 C ATOM 695 O ASN A 49 27.725 32.047 0.847 1.00 25.52 O ATOM 696 CB ASN A 49 28.690 29.323 2.288 1.00 64.24 C ATOM 697 CG ASN A 49 29.518 29.247 3.556 1.00 45.02 C ATOM 698 OD1 ASN A 49 30.728 29.476 3.535 1.00 31.02 O ATOM 699 ND2 ASN A 49 28.869 28.924 4.668 1.00 12.10 N ATOM 0 H ASN A 49 25.507 29.616 2.166 1.00 31.13 H new ATOM 0 HA ASN A 49 27.177 30.279 3.477 1.00 75.11 H new ATOM 0 HB2 ASN A 49 28.342 28.324 2.024 1.00 64.24 H new ATOM 0 HB3 ASN A 49 29.318 29.669 1.467 1.00 64.24 H new ATOM 0 HD21 ASN A 49 29.374 28.857 5.552 1.00 12.10 H new ATOM 0 HD22 ASN A 49 27.866 28.743 4.639 1.00 12.10 H new ATOM 706 N THR A 50 28.367 32.452 2.966 1.00 44.35 N ATOM 707 CA THR A 50 28.774 33.825 2.695 1.00 50.41 C ATOM 708 C THR A 50 29.708 34.346 3.781 1.00 45.33 C ATOM 709 O THR A 50 30.913 34.481 3.564 1.00 31.13 O ATOM 710 CB THR A 50 27.555 34.762 2.590 1.00 64.24 C ATOM 711 OG1 THR A 50 26.702 34.337 1.521 1.00 32.34 O ATOM 712 CG2 THR A 50 27.996 36.198 2.352 1.00 12.45 C ATOM 0 H THR A 50 28.496 32.157 3.934 1.00 44.35 H new ATOM 0 HA THR A 50 29.300 33.816 1.740 1.00 50.41 H new ATOM 0 HB THR A 50 27.008 34.718 3.532 1.00 64.24 H new ATOM 0 HG1 THR A 50 27.181 33.695 0.956 1.00 32.34 H new ATOM 0 HG21 THR A 50 27.119 36.841 2.281 1.00 12.45 H new ATOM 0 HG22 THR A 50 28.622 36.528 3.181 1.00 12.45 H new ATOM 0 HG23 THR A 50 28.564 36.255 1.423 1.00 12.45 H new ATOM 720 N ASP A 51 29.146 34.637 4.949 1.00 44.33 N ATOM 721 CA ASP A 51 29.930 35.142 6.070 1.00 45.11 C ATOM 722 C ASP A 51 29.702 34.295 7.318 1.00 60.12 C ATOM 723 O ASP A 51 30.651 33.918 8.006 1.00 10.22 O ATOM 724 CB ASP A 51 29.571 36.601 6.356 1.00 74.13 C ATOM 725 CG ASP A 51 30.794 37.461 6.604 1.00 21.03 C ATOM 726 OD1 ASP A 51 31.683 37.496 5.728 1.00 50.35 O ATOM 727 OD2 ASP A 51 30.862 38.099 7.675 1.00 3.41 O ATOM 0 H ASP A 51 28.150 34.532 5.144 1.00 44.33 H new ATOM 0 HA ASP A 51 30.984 35.082 5.800 1.00 45.11 H new ATOM 0 HB2 ASP A 51 29.011 37.006 5.513 1.00 74.13 H new ATOM 0 HB3 ASP A 51 28.916 36.647 7.226 1.00 74.13 H new ATOM 732 N ILE A 52 28.438 34.000 7.603 1.00 3.34 N ATOM 733 CA ILE A 52 28.086 33.198 8.768 1.00 30.02 C ATOM 734 C ILE A 52 26.576 33.011 8.870 1.00 21.44 C ATOM 735 O ILE A 52 25.882 33.806 9.506 1.00 62.33 O ATOM 736 CB ILE A 52 28.602 33.839 10.070 1.00 33.02 C ATOM 737 CG1 ILE A 52 28.042 33.097 11.286 1.00 41.31 C ATOM 738 CG2 ILE A 52 28.224 35.312 10.121 1.00 32.23 C ATOM 739 CD1 ILE A 52 29.064 32.869 12.378 1.00 50.53 C ATOM 0 H ILE A 52 27.641 34.304 7.043 1.00 3.34 H new ATOM 0 HA ILE A 52 28.562 32.226 8.638 1.00 30.02 H new ATOM 0 HB ILE A 52 29.689 33.762 10.090 1.00 33.02 H new ATOM 0 HG12 ILE A 52 27.206 33.665 11.695 1.00 41.31 H new ATOM 0 HG13 ILE A 52 27.646 32.134 10.963 1.00 41.31 H new ATOM 0 HG21 ILE A 52 28.596 35.751 11.047 1.00 32.23 H new ATOM 0 HG22 ILE A 52 28.666 35.831 9.270 1.00 32.23 H new ATOM 0 HG23 ILE A 52 27.139 35.411 10.082 1.00 32.23 H new ATOM 0 HD11 ILE A 52 28.597 32.338 13.208 1.00 50.53 H new ATOM 0 HD12 ILE A 52 29.889 32.275 11.986 1.00 50.53 H new ATOM 0 HD13 ILE A 52 29.443 33.829 12.728 1.00 50.53 H new ATOM 751 N LEU A 53 26.073 31.954 8.243 1.00 70.55 N ATOM 752 CA LEU A 53 24.644 31.659 8.264 1.00 43.31 C ATOM 753 C LEU A 53 24.399 30.164 8.439 1.00 52.14 C ATOM 754 O LEU A 53 25.098 29.337 7.853 1.00 51.42 O ATOM 755 CB LEU A 53 23.983 32.149 6.974 1.00 24.11 C ATOM 756 CG LEU A 53 24.116 31.228 5.761 1.00 52.04 C ATOM 757 CD1 LEU A 53 23.237 31.718 4.620 1.00 1.12 C ATOM 758 CD2 LEU A 53 25.568 31.137 5.316 1.00 3.20 C ATOM 0 H LEU A 53 26.633 31.286 7.713 1.00 70.55 H new ATOM 0 HA LEU A 53 24.202 32.182 9.112 1.00 43.31 H new ATOM 0 HB2 LEU A 53 22.923 32.308 7.170 1.00 24.11 H new ATOM 0 HB3 LEU A 53 24.408 33.119 6.717 1.00 24.11 H new ATOM 0 HG LEU A 53 23.782 30.231 6.048 1.00 52.04 H new ATOM 0 HD11 LEU A 53 23.345 31.050 3.765 1.00 1.12 H new ATOM 0 HD12 LEU A 53 22.196 31.730 4.942 1.00 1.12 H new ATOM 0 HD13 LEU A 53 23.540 32.725 4.334 1.00 1.12 H new ATOM 0 HD21 LEU A 53 25.643 30.477 4.452 1.00 3.20 H new ATOM 0 HD22 LEU A 53 25.929 32.130 5.047 1.00 3.20 H new ATOM 0 HD23 LEU A 53 26.174 30.739 6.130 1.00 3.20 H new ATOM 770 N SER A 54 23.400 29.824 9.247 1.00 53.13 N ATOM 771 CA SER A 54 23.063 28.428 9.500 1.00 55.11 C ATOM 772 C SER A 54 21.551 28.221 9.475 1.00 42.21 C ATOM 773 O SER A 54 20.796 29.017 10.034 1.00 34.30 O ATOM 774 CB SER A 54 23.628 27.982 10.850 1.00 74.33 C ATOM 775 OG SER A 54 23.943 26.600 10.839 1.00 51.22 O ATOM 0 H SER A 54 22.810 30.496 9.738 1.00 53.13 H new ATOM 0 HA SER A 54 23.508 27.823 8.710 1.00 55.11 H new ATOM 0 HB2 SER A 54 24.522 28.560 11.083 1.00 74.33 H new ATOM 0 HB3 SER A 54 22.902 28.187 11.637 1.00 74.33 H new ATOM 0 HG SER A 54 24.304 26.340 11.712 1.00 51.22 H new ATOM 781 N ILE A 55 21.118 27.148 8.823 1.00 62.43 N ATOM 782 CA ILE A 55 19.698 26.835 8.725 1.00 32.13 C ATOM 783 C ILE A 55 19.374 25.522 9.430 1.00 4.15 C ATOM 784 O ILE A 55 20.015 24.500 9.186 1.00 72.25 O ATOM 785 CB ILE A 55 19.241 26.742 7.257 1.00 2.14 C ATOM 786 CG1 ILE A 55 19.525 28.057 6.528 1.00 11.02 C ATOM 787 CG2 ILE A 55 17.761 26.398 7.184 1.00 40.11 C ATOM 788 CD1 ILE A 55 19.062 28.061 5.088 1.00 1.41 C ATOM 0 H ILE A 55 21.730 26.480 8.354 1.00 62.43 H new ATOM 0 HA ILE A 55 19.162 27.649 9.213 1.00 32.13 H new ATOM 0 HB ILE A 55 19.803 25.947 6.766 1.00 2.14 H new ATOM 0 HG12 ILE A 55 19.035 28.872 7.061 1.00 11.02 H new ATOM 0 HG13 ILE A 55 20.596 28.255 6.557 1.00 11.02 H new ATOM 0 HG21 ILE A 55 17.453 26.336 6.140 1.00 40.11 H new ATOM 0 HG22 ILE A 55 17.586 25.439 7.672 1.00 40.11 H new ATOM 0 HG23 ILE A 55 17.182 27.172 7.688 1.00 40.11 H new ATOM 0 HD11 ILE A 55 19.295 29.024 4.633 1.00 1.41 H new ATOM 0 HD12 ILE A 55 19.571 27.268 4.540 1.00 1.41 H new ATOM 0 HD13 ILE A 55 17.985 27.894 5.051 1.00 1.41 H new ATOM 800 N SER A 56 18.375 25.558 10.306 1.00 20.42 N ATOM 801 CA SER A 56 17.967 24.371 11.049 1.00 60.11 C ATOM 802 C SER A 56 16.485 24.079 10.835 1.00 70.13 C ATOM 803 O SER A 56 15.622 24.830 11.286 1.00 13.02 O ATOM 804 CB SER A 56 18.252 24.554 12.541 1.00 52.31 C ATOM 805 OG SER A 56 19.582 24.993 12.756 1.00 51.51 O ATOM 0 H SER A 56 17.833 26.396 10.519 1.00 20.42 H new ATOM 0 HA SER A 56 18.544 23.524 10.677 1.00 60.11 H new ATOM 0 HB2 SER A 56 17.554 25.278 12.962 1.00 52.31 H new ATOM 0 HB3 SER A 56 18.088 23.612 13.064 1.00 52.31 H new ATOM 0 HG SER A 56 19.739 25.104 13.717 1.00 51.51 H new ATOM 811 N ASN A 57 16.199 22.981 10.142 1.00 53.31 N ATOM 812 CA ASN A 57 14.821 22.589 9.866 1.00 24.13 C ATOM 813 C ASN A 57 14.485 21.268 10.551 1.00 32.21 C ATOM 814 O ASN A 57 13.319 20.886 10.647 1.00 71.14 O ATOM 815 CB ASN A 57 14.596 22.466 8.358 1.00 41.41 C ATOM 816 CG ASN A 57 14.775 23.789 7.637 1.00 35.24 C ATOM 817 OD1 ASN A 57 15.214 24.776 8.228 1.00 63.44 O ATOM 818 ND2 ASN A 57 14.433 23.814 6.354 1.00 14.15 N ATOM 0 H ASN A 57 16.902 22.348 9.762 1.00 53.31 H new ATOM 0 HA ASN A 57 14.163 23.362 10.263 1.00 24.13 H new ATOM 0 HB2 ASN A 57 15.292 21.735 7.948 1.00 41.41 H new ATOM 0 HB3 ASN A 57 13.591 22.088 8.173 1.00 41.41 H new ATOM 0 HD21 ASN A 57 14.530 24.676 5.817 1.00 14.15 H new ATOM 0 HD22 ASN A 57 14.073 22.971 5.906 1.00 14.15 H new ATOM 825 N ALA A 58 15.514 20.575 11.026 1.00 24.25 N ATOM 826 CA ALA A 58 15.328 19.298 11.705 1.00 41.23 C ATOM 827 C ALA A 58 15.115 19.498 13.201 1.00 24.45 C ATOM 828 O ALA A 58 15.129 18.539 13.973 1.00 34.32 O ATOM 829 CB ALA A 58 16.523 18.389 11.456 1.00 54.11 C ATOM 0 H ALA A 58 16.486 20.876 10.953 1.00 24.25 H new ATOM 0 HA ALA A 58 14.435 18.824 11.298 1.00 41.23 H new ATOM 0 HB1 ALA A 58 16.371 17.439 11.969 1.00 54.11 H new ATOM 0 HB2 ALA A 58 16.628 18.211 10.386 1.00 54.11 H new ATOM 0 HB3 ALA A 58 17.427 18.865 11.835 1.00 54.11 H new ATOM 835 N SER A 59 14.920 20.749 13.605 1.00 21.22 N ATOM 836 CA SER A 59 14.709 21.074 15.011 1.00 41.31 C ATOM 837 C SER A 59 13.539 20.280 15.583 1.00 55.24 C ATOM 838 O SER A 59 13.450 20.067 16.792 1.00 64.11 O ATOM 839 CB SER A 59 14.452 22.573 15.176 1.00 3.41 C ATOM 840 OG SER A 59 15.319 23.136 16.146 1.00 64.42 O ATOM 0 H SER A 59 14.904 21.554 12.979 1.00 21.22 H new ATOM 0 HA SER A 59 15.611 20.804 15.560 1.00 41.31 H new ATOM 0 HB2 SER A 59 14.595 23.077 14.220 1.00 3.41 H new ATOM 0 HB3 SER A 59 13.416 22.737 15.471 1.00 3.41 H new ATOM 0 HG SER A 59 15.136 24.095 16.231 1.00 64.42 H new ATOM 846 N ASP A 60 12.642 19.845 14.704 1.00 11.42 N ATOM 847 CA ASP A 60 11.476 19.074 15.120 1.00 63.34 C ATOM 848 C ASP A 60 10.620 18.693 13.916 1.00 32.52 C ATOM 849 O ASP A 60 10.075 17.590 13.853 1.00 4.34 O ATOM 850 CB ASP A 60 10.642 19.871 16.123 1.00 33.34 C ATOM 851 CG ASP A 60 10.550 19.186 17.473 1.00 73.02 C ATOM 852 OD1 ASP A 60 9.946 18.095 17.545 1.00 14.10 O ATOM 853 OD2 ASP A 60 11.082 19.740 18.457 1.00 44.55 O ATOM 0 H ASP A 60 12.700 20.013 13.700 1.00 11.42 H new ATOM 0 HA ASP A 60 11.827 18.159 15.598 1.00 63.34 H new ATOM 0 HB2 ASP A 60 11.080 20.861 16.250 1.00 33.34 H new ATOM 0 HB3 ASP A 60 9.638 20.016 15.723 1.00 33.34 H new ATOM 858 N SER A 61 10.504 19.612 12.963 1.00 2.15 N ATOM 859 CA SER A 61 9.710 19.374 11.764 1.00 52.40 C ATOM 860 C SER A 61 9.650 20.627 10.895 1.00 70.01 C ATOM 861 O SER A 61 9.904 20.574 9.691 1.00 3.22 O ATOM 862 CB SER A 61 8.294 18.935 12.143 1.00 63.21 C ATOM 863 OG SER A 61 7.337 19.901 11.746 1.00 13.12 O ATOM 0 H SER A 61 10.950 20.529 12.998 1.00 2.15 H new ATOM 0 HA SER A 61 10.189 18.579 11.193 1.00 52.40 H new ATOM 0 HB2 SER A 61 8.068 17.979 11.671 1.00 63.21 H new ATOM 0 HB3 SER A 61 8.234 18.780 13.220 1.00 63.21 H new ATOM 0 HG SER A 61 6.440 19.596 11.998 1.00 13.12 H new ATOM 869 N HIS A 62 9.312 21.754 11.514 1.00 34.41 N ATOM 870 CA HIS A 62 9.218 23.021 10.798 1.00 5.03 C ATOM 871 C HIS A 62 10.604 23.533 10.417 1.00 3.04 C ATOM 872 O HIS A 62 11.585 23.277 11.115 1.00 12.31 O ATOM 873 CB HIS A 62 8.495 24.062 11.653 1.00 33.31 C ATOM 874 CG HIS A 62 9.219 24.407 12.918 1.00 62.32 C ATOM 875 ND1 HIS A 62 8.968 25.554 13.640 1.00 41.32 N ATOM 876 CD2 HIS A 62 10.191 23.746 13.590 1.00 42.45 C ATOM 877 CE1 HIS A 62 9.756 25.586 14.700 1.00 34.10 C ATOM 878 NE2 HIS A 62 10.507 24.500 14.693 1.00 24.11 N ATOM 0 H HIS A 62 9.099 21.815 12.510 1.00 34.41 H new ATOM 0 HA HIS A 62 8.648 22.853 9.885 1.00 5.03 H new ATOM 0 HB2 HIS A 62 8.356 24.969 11.065 1.00 33.31 H new ATOM 0 HB3 HIS A 62 7.502 23.688 11.903 1.00 33.31 H new ATOM 0 HD2 HIS A 62 10.635 22.802 13.311 1.00 42.45 H new ATOM 0 HE1 HIS A 62 9.782 26.367 15.445 1.00 34.10 H new ATOM 0 HE2 HIS A 62 11.208 24.260 15.394 1.00 24.11 H new ATOM 886 N GLY A 63 10.677 24.257 9.305 1.00 45.24 N ATOM 887 CA GLY A 63 11.947 24.793 8.850 1.00 24.41 C ATOM 888 C GLY A 63 12.247 26.155 9.442 1.00 43.51 C ATOM 889 O GLY A 63 11.333 26.917 9.760 1.00 1.32 O ATOM 0 H GLY A 63 9.879 24.482 8.711 1.00 45.24 H new ATOM 0 HA2 GLY A 63 12.746 24.101 9.116 1.00 24.41 H new ATOM 0 HA3 GLY A 63 11.938 24.867 7.763 1.00 24.41 H new ATOM 893 N LEU A 64 13.531 26.464 9.592 1.00 54.11 N ATOM 894 CA LEU A 64 13.949 27.745 10.152 1.00 62.44 C ATOM 895 C LEU A 64 15.363 28.099 9.702 1.00 52.53 C ATOM 896 O LEU A 64 16.266 27.265 9.745 1.00 5.34 O ATOM 897 CB LEU A 64 13.884 27.702 11.679 1.00 34.33 C ATOM 898 CG LEU A 64 12.483 27.720 12.292 1.00 53.13 C ATOM 899 CD1 LEU A 64 11.983 26.303 12.523 1.00 74.30 C ATOM 900 CD2 LEU A 64 12.480 28.508 13.594 1.00 62.32 C ATOM 0 H LEU A 64 14.300 25.845 9.334 1.00 54.11 H new ATOM 0 HA LEU A 64 13.267 28.513 9.787 1.00 62.44 H new ATOM 0 HB2 LEU A 64 14.396 26.802 12.019 1.00 34.33 H new ATOM 0 HB3 LEU A 64 14.441 28.553 12.071 1.00 34.33 H new ATOM 0 HG LEU A 64 11.808 28.212 11.592 1.00 53.13 H new ATOM 0 HD11 LEU A 64 10.985 26.336 12.960 1.00 74.30 H new ATOM 0 HD12 LEU A 64 11.946 25.771 11.572 1.00 74.30 H new ATOM 0 HD13 LEU A 64 12.659 25.785 13.203 1.00 74.30 H new ATOM 0 HD21 LEU A 64 11.475 28.510 14.016 1.00 62.32 H new ATOM 0 HD22 LEU A 64 13.169 28.046 14.301 1.00 62.32 H new ATOM 0 HD23 LEU A 64 12.794 29.534 13.399 1.00 62.32 H new ATOM 912 N ALA A 65 15.546 29.343 9.271 1.00 5.43 N ATOM 913 CA ALA A 65 16.851 29.810 8.818 1.00 72.03 C ATOM 914 C ALA A 65 17.324 31.004 9.641 1.00 75.44 C ATOM 915 O ALA A 65 16.564 31.941 9.885 1.00 21.12 O ATOM 916 CB ALA A 65 16.797 30.173 7.341 1.00 62.40 C ATOM 0 H ALA A 65 14.808 30.045 9.226 1.00 5.43 H new ATOM 0 HA ALA A 65 17.567 29.000 8.957 1.00 72.03 H new ATOM 0 HB1 ALA A 65 17.778 30.520 7.016 1.00 62.40 H new ATOM 0 HB2 ALA A 65 16.512 29.295 6.761 1.00 62.40 H new ATOM 0 HB3 ALA A 65 16.063 30.964 7.187 1.00 62.40 H new ATOM 922 N SER A 66 18.582 30.962 10.066 1.00 42.01 N ATOM 923 CA SER A 66 19.155 32.039 10.866 1.00 73.44 C ATOM 924 C SER A 66 20.469 32.524 10.262 1.00 61.11 C ATOM 925 O SER A 66 21.490 31.840 10.335 1.00 64.42 O ATOM 926 CB SER A 66 19.384 31.568 12.303 1.00 13.13 C ATOM 927 OG SER A 66 19.240 32.640 13.219 1.00 23.55 O ATOM 0 H SER A 66 19.224 30.194 9.870 1.00 42.01 H new ATOM 0 HA SER A 66 18.449 32.870 10.871 1.00 73.44 H new ATOM 0 HB2 SER A 66 18.674 30.778 12.548 1.00 13.13 H new ATOM 0 HB3 SER A 66 20.382 31.139 12.394 1.00 13.13 H new ATOM 0 HG SER A 66 18.921 33.436 12.744 1.00 23.55 H new ATOM 933 N THR A 67 20.436 33.711 9.664 1.00 0.14 N ATOM 934 CA THR A 67 21.623 34.289 9.046 1.00 13.14 C ATOM 935 C THR A 67 22.218 35.387 9.920 1.00 25.35 C ATOM 936 O THR A 67 21.504 36.053 10.671 1.00 44.32 O ATOM 937 CB THR A 67 21.305 34.871 7.656 1.00 0.32 C ATOM 938 OG1 THR A 67 20.564 36.089 7.793 1.00 72.24 O ATOM 939 CG2 THR A 67 20.510 33.878 6.822 1.00 13.14 C ATOM 0 H THR A 67 19.600 34.291 9.595 1.00 0.14 H new ATOM 0 HA THR A 67 22.348 33.482 8.937 1.00 13.14 H new ATOM 0 HB THR A 67 22.247 35.075 7.147 1.00 0.32 H new ATOM 0 HG1 THR A 67 19.772 36.056 7.217 1.00 72.24 H new ATOM 0 HG21 THR A 67 20.297 34.312 5.845 1.00 13.14 H new ATOM 0 HG22 THR A 67 21.089 32.964 6.695 1.00 13.14 H new ATOM 0 HG23 THR A 67 19.573 33.646 7.328 1.00 13.14 H new ATOM 947 N LEU A 68 23.530 35.571 9.819 1.00 61.32 N ATOM 948 CA LEU A 68 24.223 36.589 10.600 1.00 13.43 C ATOM 949 C LEU A 68 25.381 37.188 9.809 1.00 1.52 C ATOM 950 O LEU A 68 26.410 37.554 10.377 1.00 72.44 O ATOM 951 CB LEU A 68 24.740 35.992 11.910 1.00 34.20 C ATOM 952 CG LEU A 68 23.830 34.964 12.584 1.00 13.42 C ATOM 953 CD1 LEU A 68 24.107 33.570 12.044 1.00 12.01 C ATOM 954 CD2 LEU A 68 24.013 34.999 14.094 1.00 11.45 C ATOM 0 H LEU A 68 24.135 35.028 9.203 1.00 61.32 H new ATOM 0 HA LEU A 68 23.512 37.384 10.826 1.00 13.43 H new ATOM 0 HB2 LEU A 68 25.704 35.522 11.716 1.00 34.20 H new ATOM 0 HB3 LEU A 68 24.917 36.807 12.612 1.00 34.20 H new ATOM 0 HG LEU A 68 22.795 35.220 12.357 1.00 13.42 H new ATOM 0 HD11 LEU A 68 23.450 32.852 12.535 1.00 12.01 H new ATOM 0 HD12 LEU A 68 23.924 33.553 10.970 1.00 12.01 H new ATOM 0 HD13 LEU A 68 25.146 33.304 12.239 1.00 12.01 H new ATOM 0 HD21 LEU A 68 23.358 34.261 14.557 1.00 11.45 H new ATOM 0 HD22 LEU A 68 25.050 34.769 14.340 1.00 11.45 H new ATOM 0 HD23 LEU A 68 23.763 35.992 14.468 1.00 11.45 H new ATOM 966 N ASN A 69 25.205 37.288 8.496 1.00 41.04 N ATOM 967 CA ASN A 69 26.235 37.845 7.626 1.00 24.44 C ATOM 968 C ASN A 69 25.891 39.275 7.222 1.00 65.00 C ATOM 969 O ASN A 69 24.815 39.779 7.542 1.00 23.44 O ATOM 970 CB ASN A 69 26.403 36.976 6.378 1.00 53.11 C ATOM 971 CG ASN A 69 25.073 36.608 5.748 1.00 65.44 C ATOM 972 OD1 ASN A 69 24.572 37.313 4.872 1.00 1.22 O ATOM 973 ND2 ASN A 69 24.496 35.497 6.192 1.00 51.24 N ATOM 0 H ASN A 69 24.359 36.991 8.010 1.00 41.04 H new ATOM 0 HA ASN A 69 27.174 37.859 8.179 1.00 24.44 H new ATOM 0 HB2 ASN A 69 27.013 37.507 5.648 1.00 53.11 H new ATOM 0 HB3 ASN A 69 26.942 36.066 6.642 1.00 53.11 H new ATOM 0 HD21 ASN A 69 23.601 35.197 5.805 1.00 51.24 H new ATOM 0 HD22 ASN A 69 24.948 34.943 6.920 1.00 51.24 H new ATOM 980 N GLN A 70 26.813 39.922 6.516 1.00 1.43 N ATOM 981 CA GLN A 70 26.607 41.295 6.068 1.00 20.34 C ATOM 982 C GLN A 70 26.671 41.386 4.547 1.00 14.13 C ATOM 983 O GLN A 70 27.302 42.286 3.995 1.00 25.14 O ATOM 984 CB GLN A 70 27.654 42.219 6.691 1.00 44.40 C ATOM 985 CG GLN A 70 27.535 42.344 8.201 1.00 12.43 C ATOM 986 CD GLN A 70 28.880 42.296 8.899 1.00 33.12 C ATOM 987 OE1 GLN A 70 29.464 43.332 9.218 1.00 23.41 O ATOM 988 NE2 GLN A 70 29.379 41.089 9.141 1.00 55.13 N ATOM 0 H GLN A 70 27.709 39.518 6.242 1.00 1.43 H new ATOM 0 HA GLN A 70 25.615 41.612 6.391 1.00 20.34 H new ATOM 0 HB2 GLN A 70 28.648 41.847 6.443 1.00 44.40 H new ATOM 0 HB3 GLN A 70 27.564 43.209 6.245 1.00 44.40 H new ATOM 0 HG2 GLN A 70 27.036 43.282 8.446 1.00 12.43 H new ATOM 0 HG3 GLN A 70 26.905 41.539 8.580 1.00 12.43 H new ATOM 0 HE21 GLN A 70 28.861 40.257 8.859 1.00 55.13 H new ATOM 0 HE22 GLN A 70 30.280 40.994 9.609 1.00 55.13 H new ATOM 997 N GLY A 71 26.011 40.448 3.875 1.00 64.53 N ATOM 998 CA GLY A 71 26.006 40.440 2.423 1.00 3.25 C ATOM 999 C GLY A 71 24.781 39.755 1.851 1.00 22.04 C ATOM 1000 O GLY A 71 23.671 39.935 2.351 1.00 64.23 O ATOM 0 H GLY A 71 25.480 39.693 4.310 1.00 64.53 H new ATOM 0 HA2 GLY A 71 26.049 41.466 2.057 1.00 3.25 H new ATOM 0 HA3 GLY A 71 26.902 39.935 2.062 1.00 3.25 H new ATOM 1004 N ASN A 72 24.982 38.968 0.799 1.00 4.04 N ATOM 1005 CA ASN A 72 23.884 38.255 0.157 1.00 1.11 C ATOM 1006 C ASN A 72 24.089 36.746 0.246 1.00 22.14 C ATOM 1007 O ASN A 72 25.140 36.228 -0.132 1.00 73.33 O ATOM 1008 CB ASN A 72 23.761 38.679 -1.308 1.00 64.51 C ATOM 1009 CG ASN A 72 24.966 39.466 -1.785 1.00 43.12 C ATOM 1010 OD1 ASN A 72 26.096 38.979 -1.744 1.00 61.12 O ATOM 1011 ND2 ASN A 72 24.730 40.691 -2.241 1.00 32.22 N ATOM 0 H ASN A 72 25.895 38.808 0.373 1.00 4.04 H new ATOM 0 HA ASN A 72 22.963 38.510 0.681 1.00 1.11 H new ATOM 0 HB2 ASN A 72 23.639 37.793 -1.931 1.00 64.51 H new ATOM 0 HB3 ASN A 72 22.863 39.283 -1.434 1.00 64.51 H new ATOM 0 HD21 ASN A 72 25.502 41.268 -2.575 1.00 32.22 H new ATOM 0 HD22 ASN A 72 23.777 41.055 -2.257 1.00 32.22 H new ATOM 1018 N VAL A 73 23.078 36.045 0.750 1.00 54.54 N ATOM 1019 CA VAL A 73 23.145 34.596 0.887 1.00 24.43 C ATOM 1020 C VAL A 73 22.092 33.912 0.023 1.00 63.42 C ATOM 1021 O VAL A 73 21.045 34.488 -0.273 1.00 23.03 O ATOM 1022 CB VAL A 73 22.952 34.161 2.352 1.00 1.34 C ATOM 1023 CG1 VAL A 73 23.965 34.853 3.252 1.00 31.44 C ATOM 1024 CG2 VAL A 73 21.532 34.454 2.811 1.00 34.23 C ATOM 0 H VAL A 73 22.202 36.458 1.070 1.00 54.54 H new ATOM 0 HA VAL A 73 24.137 34.293 0.553 1.00 24.43 H new ATOM 0 HB VAL A 73 23.117 33.086 2.419 1.00 1.34 H new ATOM 0 HG11 VAL A 73 23.814 34.534 4.283 1.00 31.44 H new ATOM 0 HG12 VAL A 73 24.974 34.589 2.935 1.00 31.44 H new ATOM 0 HG13 VAL A 73 23.834 35.933 3.184 1.00 31.44 H new ATOM 0 HG21 VAL A 73 21.413 34.140 3.848 1.00 34.23 H new ATOM 0 HG22 VAL A 73 21.337 35.523 2.730 1.00 34.23 H new ATOM 0 HG23 VAL A 73 20.827 33.908 2.184 1.00 34.23 H new ATOM 1034 N LYS A 74 22.376 32.678 -0.380 1.00 62.32 N ATOM 1035 CA LYS A 74 21.454 31.912 -1.210 1.00 15.00 C ATOM 1036 C LYS A 74 20.942 30.684 -0.464 1.00 14.12 C ATOM 1037 O LYS A 74 21.705 29.768 -0.159 1.00 31.41 O ATOM 1038 CB LYS A 74 22.139 31.483 -2.509 1.00 43.31 C ATOM 1039 CG LYS A 74 21.263 31.641 -3.740 1.00 24.10 C ATOM 1040 CD LYS A 74 20.881 33.093 -3.970 1.00 11.41 C ATOM 1041 CE LYS A 74 20.759 33.410 -5.453 1.00 22.33 C ATOM 1042 NZ LYS A 74 22.045 33.898 -6.023 1.00 1.41 N ATOM 0 H LYS A 74 23.238 32.187 -0.145 1.00 62.32 H new ATOM 0 HA LYS A 74 20.604 32.551 -1.449 1.00 15.00 H new ATOM 0 HB2 LYS A 74 23.047 32.071 -2.642 1.00 43.31 H new ATOM 0 HB3 LYS A 74 22.444 30.440 -2.422 1.00 43.31 H new ATOM 0 HG2 LYS A 74 21.791 31.260 -4.614 1.00 24.10 H new ATOM 0 HG3 LYS A 74 20.361 31.040 -3.625 1.00 24.10 H new ATOM 0 HD2 LYS A 74 19.934 33.304 -3.473 1.00 11.41 H new ATOM 0 HD3 LYS A 74 21.630 33.743 -3.518 1.00 11.41 H new ATOM 0 HE2 LYS A 74 20.439 32.517 -5.990 1.00 22.33 H new ATOM 0 HE3 LYS A 74 19.987 34.165 -5.601 1.00 22.33 H new ATOM 0 HZ1 LYS A 74 21.921 34.103 -7.035 1.00 1.41 H new ATOM 0 HZ2 LYS A 74 22.338 34.764 -5.528 1.00 1.41 H new ATOM 0 HZ3 LYS A 74 22.776 33.168 -5.905 1.00 1.41 H new ATOM 1056 N VAL A 75 19.644 30.672 -0.173 1.00 64.34 N ATOM 1057 CA VAL A 75 19.030 29.555 0.535 1.00 41.03 C ATOM 1058 C VAL A 75 18.258 28.655 -0.423 1.00 62.33 C ATOM 1059 O VAL A 75 17.391 29.117 -1.166 1.00 44.11 O ATOM 1060 CB VAL A 75 18.077 30.047 1.640 1.00 51.42 C ATOM 1061 CG1 VAL A 75 17.481 28.869 2.395 1.00 54.22 C ATOM 1062 CG2 VAL A 75 18.804 30.987 2.590 1.00 55.32 C ATOM 0 H VAL A 75 18.998 31.423 -0.417 1.00 64.34 H new ATOM 0 HA VAL A 75 19.840 28.986 0.991 1.00 41.03 H new ATOM 0 HB VAL A 75 17.261 30.598 1.173 1.00 51.42 H new ATOM 0 HG11 VAL A 75 16.810 29.236 3.172 1.00 54.22 H new ATOM 0 HG12 VAL A 75 16.923 28.238 1.703 1.00 54.22 H new ATOM 0 HG13 VAL A 75 18.281 28.287 2.852 1.00 54.22 H new ATOM 0 HG21 VAL A 75 18.116 31.325 3.365 1.00 55.32 H new ATOM 0 HG22 VAL A 75 19.641 30.462 3.052 1.00 55.32 H new ATOM 0 HG23 VAL A 75 19.177 31.848 2.035 1.00 55.32 H new ATOM 1072 N THR A 76 18.578 27.364 -0.402 1.00 12.44 N ATOM 1073 CA THR A 76 17.915 26.398 -1.268 1.00 43.24 C ATOM 1074 C THR A 76 17.408 25.202 -0.471 1.00 73.03 C ATOM 1075 O THR A 76 18.030 24.786 0.506 1.00 55.41 O ATOM 1076 CB THR A 76 18.860 25.898 -2.378 1.00 11.14 C ATOM 1077 OG1 THR A 76 19.796 26.925 -2.723 1.00 65.31 O ATOM 1078 CG2 THR A 76 18.074 25.485 -3.613 1.00 15.53 C ATOM 0 H THR A 76 19.293 26.964 0.206 1.00 12.44 H new ATOM 0 HA THR A 76 17.069 26.911 -1.725 1.00 43.24 H new ATOM 0 HB THR A 76 19.398 25.028 -2.002 1.00 11.14 H new ATOM 0 HG1 THR A 76 20.394 26.599 -3.428 1.00 65.31 H new ATOM 0 HG21 THR A 76 18.762 25.136 -4.383 1.00 15.53 H new ATOM 0 HG22 THR A 76 17.383 24.683 -3.353 1.00 15.53 H new ATOM 0 HG23 THR A 76 17.512 26.340 -3.990 1.00 15.53 H new ATOM 1086 N ALA A 77 16.275 24.652 -0.895 1.00 73.15 N ATOM 1087 CA ALA A 77 15.685 23.501 -0.222 1.00 43.24 C ATOM 1088 C ALA A 77 15.188 22.471 -1.231 1.00 24.45 C ATOM 1089 O ALA A 77 14.927 22.797 -2.388 1.00 63.35 O ATOM 1090 CB ALA A 77 14.548 23.946 0.685 1.00 72.11 C ATOM 0 H ALA A 77 15.747 24.985 -1.702 1.00 73.15 H new ATOM 0 HA ALA A 77 16.458 23.031 0.387 1.00 43.24 H new ATOM 0 HB1 ALA A 77 14.117 23.077 1.181 1.00 72.11 H new ATOM 0 HB2 ALA A 77 14.930 24.639 1.435 1.00 72.11 H new ATOM 0 HB3 ALA A 77 13.781 24.442 0.090 1.00 72.11 H new ATOM 1096 N SER A 78 15.061 21.226 -0.783 1.00 35.40 N ATOM 1097 CA SER A 78 14.599 20.146 -1.648 1.00 1.02 C ATOM 1098 C SER A 78 13.813 19.110 -0.851 1.00 33.33 C ATOM 1099 O SER A 78 14.196 18.745 0.261 1.00 14.14 O ATOM 1100 CB SER A 78 15.787 19.478 -2.343 1.00 31.43 C ATOM 1101 OG SER A 78 15.831 19.818 -3.718 1.00 31.24 O ATOM 0 H SER A 78 15.271 20.940 0.173 1.00 35.40 H new ATOM 0 HA SER A 78 13.939 20.575 -2.403 1.00 1.02 H new ATOM 0 HB2 SER A 78 16.715 19.785 -1.860 1.00 31.43 H new ATOM 0 HB3 SER A 78 15.714 18.396 -2.235 1.00 31.43 H new ATOM 0 HG SER A 78 16.600 19.380 -4.139 1.00 31.24 H new ATOM 1107 N ILE A 79 12.712 18.640 -1.427 1.00 71.24 N ATOM 1108 CA ILE A 79 11.872 17.645 -0.772 1.00 52.02 C ATOM 1109 C ILE A 79 11.407 16.581 -1.761 1.00 12.04 C ATOM 1110 O ILE A 79 10.899 16.897 -2.836 1.00 21.03 O ATOM 1111 CB ILE A 79 10.639 18.294 -0.116 1.00 32.33 C ATOM 1112 CG1 ILE A 79 11.046 19.049 1.151 1.00 64.01 C ATOM 1113 CG2 ILE A 79 9.592 17.237 0.205 1.00 40.23 C ATOM 1114 CD1 ILE A 79 9.880 19.677 1.882 1.00 62.14 C ATOM 0 H ILE A 79 12.381 18.932 -2.346 1.00 71.24 H new ATOM 0 HA ILE A 79 12.481 17.177 0.001 1.00 52.02 H new ATOM 0 HB ILE A 79 10.205 19.007 -0.818 1.00 32.33 H new ATOM 0 HG12 ILE A 79 11.559 18.362 1.824 1.00 64.01 H new ATOM 0 HG13 ILE A 79 11.760 19.828 0.886 1.00 64.01 H new ATOM 0 HG21 ILE A 79 8.727 17.711 0.668 1.00 40.23 H new ATOM 0 HG22 ILE A 79 9.284 16.739 -0.714 1.00 40.23 H new ATOM 0 HG23 ILE A 79 10.014 16.503 0.891 1.00 40.23 H new ATOM 0 HD11 ILE A 79 10.243 20.195 2.769 1.00 62.14 H new ATOM 0 HD12 ILE A 79 9.380 20.389 1.225 1.00 62.14 H new ATOM 0 HD13 ILE A 79 9.175 18.900 2.178 1.00 62.14 H new ATOM 1126 N GLY A 80 11.583 15.317 -1.388 1.00 34.15 N ATOM 1127 CA GLY A 80 11.174 14.225 -2.252 1.00 23.25 C ATOM 1128 C GLY A 80 11.736 14.354 -3.654 1.00 34.23 C ATOM 1129 O GLY A 80 12.900 14.040 -3.895 1.00 24.31 O ATOM 0 H GLY A 80 12.001 15.030 -0.503 1.00 34.15 H new ATOM 0 HA2 GLY A 80 11.501 13.280 -1.818 1.00 23.25 H new ATOM 0 HA3 GLY A 80 10.086 14.193 -2.302 1.00 23.25 H new ATOM 1133 N GLY A 81 10.904 14.816 -4.582 1.00 50.34 N ATOM 1134 CA GLY A 81 11.342 14.976 -5.957 1.00 34.12 C ATOM 1135 C GLY A 81 11.476 16.432 -6.357 1.00 24.30 C ATOM 1136 O GLY A 81 12.452 16.817 -7.001 1.00 44.32 O ATOM 0 H GLY A 81 9.935 15.082 -4.407 1.00 50.34 H new ATOM 0 HA2 GLY A 81 12.301 14.476 -6.090 1.00 34.12 H new ATOM 0 HA3 GLY A 81 10.631 14.484 -6.621 1.00 34.12 H new ATOM 1140 N ILE A 82 10.494 17.242 -5.976 1.00 63.43 N ATOM 1141 CA ILE A 82 10.508 18.663 -6.300 1.00 72.33 C ATOM 1142 C ILE A 82 11.527 19.411 -5.448 1.00 41.21 C ATOM 1143 O ILE A 82 11.856 18.986 -4.341 1.00 13.11 O ATOM 1144 CB ILE A 82 9.120 19.299 -6.098 1.00 41.43 C ATOM 1145 CG1 ILE A 82 8.040 18.440 -6.757 1.00 75.41 C ATOM 1146 CG2 ILE A 82 9.098 20.712 -6.663 1.00 61.10 C ATOM 1147 CD1 ILE A 82 8.259 18.223 -8.238 1.00 24.31 C ATOM 0 H ILE A 82 9.679 16.939 -5.443 1.00 63.43 H new ATOM 0 HA ILE A 82 10.787 18.745 -7.350 1.00 72.33 H new ATOM 0 HB ILE A 82 8.913 19.352 -5.029 1.00 41.43 H new ATOM 0 HG12 ILE A 82 8.003 17.472 -6.258 1.00 75.41 H new ATOM 0 HG13 ILE A 82 7.070 18.913 -6.607 1.00 75.41 H new ATOM 0 HG21 ILE A 82 8.111 21.149 -6.513 1.00 61.10 H new ATOM 0 HG22 ILE A 82 9.845 21.320 -6.152 1.00 61.10 H new ATOM 0 HG23 ILE A 82 9.323 20.681 -7.729 1.00 61.10 H new ATOM 0 HD11 ILE A 82 7.455 17.605 -8.638 1.00 24.31 H new ATOM 0 HD12 ILE A 82 8.266 19.185 -8.750 1.00 24.31 H new ATOM 0 HD13 ILE A 82 9.214 17.722 -8.395 1.00 24.31 H new ATOM 1159 N GLN A 83 12.022 20.528 -5.972 1.00 12.13 N ATOM 1160 CA GLN A 83 13.003 21.337 -5.258 1.00 21.52 C ATOM 1161 C GLN A 83 12.627 22.814 -5.302 1.00 63.14 C ATOM 1162 O GLN A 83 11.824 23.236 -6.133 1.00 70.42 O ATOM 1163 CB GLN A 83 14.396 21.134 -5.858 1.00 35.13 C ATOM 1164 CG GLN A 83 14.578 21.803 -7.210 1.00 45.13 C ATOM 1165 CD GLN A 83 15.929 21.505 -7.831 1.00 72.43 C ATOM 1166 OE1 GLN A 83 16.737 22.407 -8.051 1.00 3.12 O ATOM 1167 NE2 GLN A 83 16.181 20.233 -8.118 1.00 74.32 N ATOM 0 H GLN A 83 11.760 20.893 -6.888 1.00 12.13 H new ATOM 0 HA GLN A 83 13.013 21.015 -4.217 1.00 21.52 H new ATOM 0 HB2 GLN A 83 15.142 21.524 -5.165 1.00 35.13 H new ATOM 0 HB3 GLN A 83 14.586 20.066 -5.962 1.00 35.13 H new ATOM 0 HG2 GLN A 83 13.790 21.469 -7.885 1.00 45.13 H new ATOM 0 HG3 GLN A 83 14.464 22.881 -7.096 1.00 45.13 H new ATOM 0 HE21 GLN A 83 15.482 19.517 -7.919 1.00 74.32 H new ATOM 0 HE22 GLN A 83 17.073 19.972 -8.538 1.00 74.32 H new ATOM 1176 N GLY A 84 13.214 23.596 -4.402 1.00 1.54 N ATOM 1177 CA GLY A 84 12.928 25.018 -4.355 1.00 54.42 C ATOM 1178 C GLY A 84 14.164 25.850 -4.078 1.00 42.23 C ATOM 1179 O GLY A 84 15.180 25.330 -3.617 1.00 62.04 O ATOM 0 H GLY A 84 13.883 23.270 -3.704 1.00 1.54 H new ATOM 0 HA2 GLY A 84 12.490 25.329 -5.304 1.00 54.42 H new ATOM 0 HA3 GLY A 84 12.184 25.210 -3.582 1.00 54.42 H new ATOM 1183 N SER A 85 14.079 27.146 -4.361 1.00 44.14 N ATOM 1184 CA SER A 85 15.202 28.051 -4.145 1.00 63.11 C ATOM 1185 C SER A 85 14.714 29.429 -3.710 1.00 15.01 C ATOM 1186 O SER A 85 13.626 29.864 -4.090 1.00 11.33 O ATOM 1187 CB SER A 85 16.039 28.173 -5.420 1.00 50.21 C ATOM 1188 OG SER A 85 15.420 27.500 -6.503 1.00 10.32 O ATOM 0 H SER A 85 13.244 27.593 -4.740 1.00 44.14 H new ATOM 0 HA SER A 85 15.822 27.637 -3.350 1.00 63.11 H new ATOM 0 HB2 SER A 85 16.174 29.225 -5.671 1.00 50.21 H new ATOM 0 HB3 SER A 85 17.032 27.756 -5.248 1.00 50.21 H new ATOM 0 HG SER A 85 15.974 27.594 -7.306 1.00 10.32 H new ATOM 1194 N THR A 86 15.526 30.113 -2.909 1.00 73.44 N ATOM 1195 CA THR A 86 15.177 31.441 -2.421 1.00 23.45 C ATOM 1196 C THR A 86 16.414 32.322 -2.294 1.00 45.14 C ATOM 1197 O THR A 86 17.526 31.826 -2.111 1.00 61.45 O ATOM 1198 CB THR A 86 14.471 31.369 -1.054 1.00 33.53 C ATOM 1199 OG1 THR A 86 13.744 30.140 -0.942 1.00 22.41 O ATOM 1200 CG2 THR A 86 13.521 32.543 -0.873 1.00 1.22 C ATOM 0 H THR A 86 16.430 29.769 -2.585 1.00 73.44 H new ATOM 0 HA THR A 86 14.496 31.877 -3.152 1.00 23.45 H new ATOM 0 HB THR A 86 15.232 31.414 -0.275 1.00 33.53 H new ATOM 0 HG1 THR A 86 13.433 30.027 -0.020 1.00 22.41 H new ATOM 0 HG21 THR A 86 13.034 32.470 0.100 1.00 1.22 H new ATOM 0 HG22 THR A 86 14.081 33.476 -0.930 1.00 1.22 H new ATOM 0 HG23 THR A 86 12.766 32.525 -1.659 1.00 1.22 H new ATOM 1208 N ASP A 87 16.214 33.632 -2.393 1.00 24.34 N ATOM 1209 CA ASP A 87 17.315 34.583 -2.288 1.00 15.25 C ATOM 1210 C ASP A 87 17.117 35.512 -1.094 1.00 2.41 C ATOM 1211 O ASP A 87 16.073 36.149 -0.956 1.00 13.43 O ATOM 1212 CB ASP A 87 17.433 35.403 -3.574 1.00 32.35 C ATOM 1213 CG ASP A 87 18.416 36.549 -3.441 1.00 15.50 C ATOM 1214 OD1 ASP A 87 18.011 37.623 -2.949 1.00 12.23 O ATOM 1215 OD2 ASP A 87 19.589 36.374 -3.830 1.00 62.53 O ATOM 0 H ASP A 87 15.300 34.059 -2.546 1.00 24.34 H new ATOM 0 HA ASP A 87 18.237 34.020 -2.140 1.00 15.25 H new ATOM 0 HB2 ASP A 87 17.747 34.751 -4.389 1.00 32.35 H new ATOM 0 HB3 ASP A 87 16.453 35.798 -3.841 1.00 32.35 H new ATOM 1220 N PHE A 88 18.127 35.584 -0.233 1.00 20.00 N ATOM 1221 CA PHE A 88 18.064 36.434 0.951 1.00 71.44 C ATOM 1222 C PHE A 88 19.275 37.359 1.021 1.00 22.10 C ATOM 1223 O PHE A 88 20.390 36.969 0.675 1.00 25.41 O ATOM 1224 CB PHE A 88 17.988 35.577 2.216 1.00 22.20 C ATOM 1225 CG PHE A 88 16.700 34.817 2.349 1.00 34.22 C ATOM 1226 CD1 PHE A 88 15.571 35.426 2.874 1.00 44.51 C ATOM 1227 CD2 PHE A 88 16.617 33.493 1.950 1.00 35.52 C ATOM 1228 CE1 PHE A 88 14.384 34.730 2.998 1.00 52.15 C ATOM 1229 CE2 PHE A 88 15.432 32.791 2.071 1.00 53.30 C ATOM 1230 CZ PHE A 88 14.314 33.410 2.596 1.00 3.44 C ATOM 0 H PHE A 88 18.999 35.064 -0.333 1.00 20.00 H new ATOM 0 HA PHE A 88 17.165 37.046 0.881 1.00 71.44 H new ATOM 0 HB2 PHE A 88 18.819 34.871 2.217 1.00 22.20 H new ATOM 0 HB3 PHE A 88 18.113 36.219 3.088 1.00 22.20 H new ATOM 0 HD1 PHE A 88 15.620 36.458 3.190 1.00 44.51 H new ATOM 0 HD2 PHE A 88 17.488 33.004 1.540 1.00 35.52 H new ATOM 0 HE1 PHE A 88 13.512 35.217 3.409 1.00 52.15 H new ATOM 0 HE2 PHE A 88 15.380 31.759 1.755 1.00 53.30 H new ATOM 0 HZ PHE A 88 13.388 32.863 2.692 1.00 3.44 H new ATOM 1240 N LYS A 89 19.048 38.588 1.471 1.00 15.20 N ATOM 1241 CA LYS A 89 20.118 39.571 1.588 1.00 22.04 C ATOM 1242 C LYS A 89 20.227 40.089 3.019 1.00 31.20 C ATOM 1243 O LYS A 89 19.361 40.826 3.491 1.00 71.14 O ATOM 1244 CB LYS A 89 19.874 40.738 0.629 1.00 3.34 C ATOM 1245 CG LYS A 89 21.047 41.698 0.529 1.00 42.13 C ATOM 1246 CD LYS A 89 21.776 41.551 -0.797 1.00 13.34 C ATOM 1247 CE LYS A 89 21.610 42.790 -1.664 1.00 74.41 C ATOM 1248 NZ LYS A 89 20.206 42.954 -2.133 1.00 72.23 N ATOM 0 H LYS A 89 18.131 38.927 1.761 1.00 15.20 H new ATOM 0 HA LYS A 89 21.056 39.083 1.325 1.00 22.04 H new ATOM 0 HB2 LYS A 89 19.653 40.343 -0.362 1.00 3.34 H new ATOM 0 HB3 LYS A 89 18.992 41.288 0.956 1.00 3.34 H new ATOM 0 HG2 LYS A 89 20.690 42.722 0.638 1.00 42.13 H new ATOM 0 HG3 LYS A 89 21.741 41.513 1.349 1.00 42.13 H new ATOM 0 HD2 LYS A 89 22.836 41.373 -0.613 1.00 13.34 H new ATOM 0 HD3 LYS A 89 21.394 40.679 -1.329 1.00 13.34 H new ATOM 0 HE2 LYS A 89 21.909 43.672 -1.098 1.00 74.41 H new ATOM 0 HE3 LYS A 89 22.275 42.723 -2.525 1.00 74.41 H new ATOM 0 HZ1 LYS A 89 20.134 43.809 -2.720 1.00 72.23 H new ATOM 0 HZ2 LYS A 89 19.928 42.124 -2.694 1.00 72.23 H new ATOM 0 HZ3 LYS A 89 19.574 43.044 -1.312 1.00 72.23 H new ATOM 1262 N VAL A 90 21.297 39.700 3.705 1.00 60.51 N ATOM 1263 CA VAL A 90 21.520 40.127 5.081 1.00 62.31 C ATOM 1264 C VAL A 90 22.424 41.353 5.136 1.00 42.01 C ATOM 1265 O VAL A 90 23.526 41.352 4.586 1.00 61.20 O ATOM 1266 CB VAL A 90 22.149 39.001 5.923 1.00 30.22 C ATOM 1267 CG1 VAL A 90 21.979 39.286 7.408 1.00 60.44 C ATOM 1268 CG2 VAL A 90 21.538 37.657 5.556 1.00 31.14 C ATOM 0 H VAL A 90 22.023 39.090 3.330 1.00 60.51 H new ATOM 0 HA VAL A 90 20.544 40.380 5.496 1.00 62.31 H new ATOM 0 HB VAL A 90 23.216 38.961 5.705 1.00 30.22 H new ATOM 0 HG11 VAL A 90 22.429 38.480 7.987 1.00 60.44 H new ATOM 0 HG12 VAL A 90 22.468 40.228 7.656 1.00 60.44 H new ATOM 0 HG13 VAL A 90 20.918 39.355 7.646 1.00 60.44 H new ATOM 0 HG21 VAL A 90 21.994 36.873 6.160 1.00 31.14 H new ATOM 0 HG22 VAL A 90 20.465 37.682 5.744 1.00 31.14 H new ATOM 0 HG23 VAL A 90 21.717 37.452 4.501 1.00 31.14 H new ATOM 1278 N THR A 91 21.951 42.401 5.804 1.00 24.42 N ATOM 1279 CA THR A 91 22.716 43.635 5.931 1.00 21.32 C ATOM 1280 C THR A 91 23.056 43.923 7.389 1.00 50.52 C ATOM 1281 O THR A 91 22.594 43.227 8.292 1.00 11.43 O ATOM 1282 CB THR A 91 21.947 44.835 5.348 1.00 73.12 C ATOM 1283 OG1 THR A 91 20.982 44.381 4.392 1.00 32.43 O ATOM 1284 CG2 THR A 91 22.900 45.818 4.685 1.00 13.44 C ATOM 0 H THR A 91 21.041 42.419 6.265 1.00 24.42 H new ATOM 0 HA THR A 91 23.638 43.495 5.367 1.00 21.32 H new ATOM 0 HB THR A 91 21.437 45.343 6.166 1.00 73.12 H new ATOM 0 HG1 THR A 91 20.496 45.150 4.027 1.00 32.43 H new ATOM 0 HG21 THR A 91 22.334 46.657 4.281 1.00 13.44 H new ATOM 0 HG22 THR A 91 23.615 46.184 5.421 1.00 13.44 H new ATOM 0 HG23 THR A 91 23.435 45.318 3.877 1.00 13.44 H new ATOM 1292 N GLN A 92 23.865 44.954 7.610 1.00 45.21 N ATOM 1293 CA GLN A 92 24.267 45.334 8.959 1.00 14.13 C ATOM 1294 C GLN A 92 23.246 46.279 9.585 1.00 40.22 C ATOM 1295 O GLN A 92 22.051 45.982 9.624 1.00 44.43 O ATOM 1296 CB GLN A 92 25.646 45.996 8.937 1.00 75.11 C ATOM 1297 CG GLN A 92 26.518 45.624 10.124 1.00 24.54 C ATOM 1298 CD GLN A 92 27.724 46.532 10.270 1.00 34.54 C ATOM 1299 OE1 GLN A 92 28.743 46.341 9.607 1.00 62.50 O ATOM 1300 NE2 GLN A 92 27.613 47.527 11.142 1.00 52.31 N ATOM 0 H GLN A 92 24.255 45.541 6.872 1.00 45.21 H new ATOM 0 HA GLN A 92 24.317 44.429 9.564 1.00 14.13 H new ATOM 0 HB2 GLN A 92 26.160 45.716 8.017 1.00 75.11 H new ATOM 0 HB3 GLN A 92 25.520 47.078 8.914 1.00 75.11 H new ATOM 0 HG2 GLN A 92 25.922 45.668 11.036 1.00 24.54 H new ATOM 0 HG3 GLN A 92 26.855 44.593 10.013 1.00 24.54 H new ATOM 0 HE21 GLN A 92 26.749 47.648 11.670 1.00 52.31 H new ATOM 0 HE22 GLN A 92 28.392 48.170 11.283 1.00 52.31 H new