USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot -168:sc= 0.621 USER MOD Set 1.2: A 61 THR OG1 : rot 151:sc= 0.664 USER MOD Set 2.1: A 26 SER OG : rot 110:sc= -0.518 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 5:sc= 0.699 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc=-0.00953 X(o=-0.0095,f=-0.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc=-0.00262 X(o=-0.0026,f=-0.43) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -130:sc= -1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 41 GLN : amide:sc= -0.0185 K(o=-0.018,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.681 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.0613 (180deg=-0.494) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -2.52 F(o=-4.2!,f=-2.5) USER MOD Single : A 64 THR OG1 : rot 107:sc= -3.95! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-5.9!) USER MOD Single : A 74 SER OG : rot 88:sc= 0.991 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.101 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.987 -25.617 -10.442 1.00 0.00 N ATOM 2 CA GLY A 1 -3.433 -24.473 -9.738 1.00 0.00 C ATOM 3 C GLY A 1 -1.912 -24.589 -9.615 1.00 0.00 C ATOM 4 O GLY A 1 -1.175 -23.830 -10.242 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.020 -25.515 -10.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.578 -25.668 -11.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.760 -26.488 -9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.690 -23.556 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.877 -24.402 -8.745 1.00 0.00 H new ATOM 8 N SER A 2 -1.488 -25.545 -8.801 1.00 0.00 N ATOM 9 CA SER A 2 -0.069 -25.771 -8.588 1.00 0.00 C ATOM 10 C SER A 2 0.577 -24.515 -7.998 1.00 0.00 C ATOM 11 O SER A 2 1.038 -23.645 -8.735 1.00 0.00 O ATOM 12 CB SER A 2 0.629 -26.164 -9.891 1.00 0.00 C ATOM 13 OG SER A 2 2.045 -26.037 -9.798 1.00 0.00 O ATOM 0 H SER A 2 -2.103 -26.172 -8.281 1.00 0.00 H new ATOM 0 HA SER A 2 0.044 -26.596 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.373 -27.193 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.261 -25.536 -10.703 1.00 0.00 H new ATOM 0 HG SER A 2 2.454 -26.299 -10.649 1.00 0.00 H new ATOM 19 N SER A 3 0.590 -24.461 -6.674 1.00 0.00 N ATOM 20 CA SER A 3 1.172 -23.327 -5.977 1.00 0.00 C ATOM 21 C SER A 3 1.555 -23.729 -4.551 1.00 0.00 C ATOM 22 O SER A 3 0.757 -23.583 -3.627 1.00 0.00 O ATOM 23 CB SER A 3 0.206 -22.140 -5.953 1.00 0.00 C ATOM 24 OG SER A 3 -0.021 -21.611 -7.257 1.00 0.00 O ATOM 0 H SER A 3 0.207 -25.185 -6.066 1.00 0.00 H new ATOM 0 HA SER A 3 2.069 -23.020 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.743 -22.454 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.608 -21.358 -5.309 1.00 0.00 H new ATOM 0 HG SER A 3 0.439 -22.167 -7.920 1.00 0.00 H new ATOM 30 N GLY A 4 2.775 -24.227 -4.418 1.00 0.00 N ATOM 31 CA GLY A 4 3.273 -24.651 -3.121 1.00 0.00 C ATOM 32 C GLY A 4 3.816 -23.462 -2.326 1.00 0.00 C ATOM 33 O GLY A 4 3.235 -23.067 -1.317 1.00 0.00 O ATOM 0 H GLY A 4 3.434 -24.346 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.472 -25.133 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.060 -25.393 -3.255 1.00 0.00 H new ATOM 37 N SER A 5 4.926 -22.924 -2.812 1.00 0.00 N ATOM 38 CA SER A 5 5.554 -21.788 -2.161 1.00 0.00 C ATOM 39 C SER A 5 4.724 -20.524 -2.397 1.00 0.00 C ATOM 40 O SER A 5 4.196 -19.939 -1.452 1.00 0.00 O ATOM 41 CB SER A 5 6.984 -21.585 -2.665 1.00 0.00 C ATOM 42 OG SER A 5 7.924 -22.371 -1.936 1.00 0.00 O ATOM 0 H SER A 5 5.406 -23.255 -3.649 1.00 0.00 H new ATOM 0 HA SER A 5 5.600 -21.990 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.036 -21.845 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.251 -20.531 -2.583 1.00 0.00 H new ATOM 0 HG SER A 5 8.825 -22.215 -2.289 1.00 0.00 H new ATOM 48 N SER A 6 4.636 -20.141 -3.662 1.00 0.00 N ATOM 49 CA SER A 6 3.879 -18.957 -4.034 1.00 0.00 C ATOM 50 C SER A 6 2.515 -18.969 -3.340 1.00 0.00 C ATOM 51 O SER A 6 2.111 -17.972 -2.743 1.00 0.00 O ATOM 52 CB SER A 6 3.702 -18.871 -5.551 1.00 0.00 C ATOM 53 OG SER A 6 4.635 -17.974 -6.147 1.00 0.00 O ATOM 0 H SER A 6 5.076 -20.629 -4.442 1.00 0.00 H new ATOM 0 HA SER A 6 4.437 -18.078 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.823 -19.863 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.688 -18.544 -5.780 1.00 0.00 H new ATOM 0 HG SER A 6 4.491 -17.948 -7.116 1.00 0.00 H new ATOM 59 N GLY A 7 1.845 -20.106 -3.443 1.00 0.00 N ATOM 60 CA GLY A 7 0.535 -20.260 -2.833 1.00 0.00 C ATOM 61 C GLY A 7 0.525 -19.704 -1.407 1.00 0.00 C ATOM 62 O GLY A 7 -0.521 -19.297 -0.903 1.00 0.00 O ATOM 0 H GLY A 7 2.184 -20.930 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.213 -19.743 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.259 -21.314 -2.818 1.00 0.00 H new ATOM 66 N ASP A 8 1.701 -19.705 -0.798 1.00 0.00 N ATOM 67 CA ASP A 8 1.841 -19.205 0.559 1.00 0.00 C ATOM 68 C ASP A 8 1.663 -17.686 0.560 1.00 0.00 C ATOM 69 O ASP A 8 0.819 -17.157 1.282 1.00 0.00 O ATOM 70 CB ASP A 8 3.230 -19.518 1.121 1.00 0.00 C ATOM 71 CG ASP A 8 3.331 -19.490 2.647 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.321 -19.849 3.290 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.417 -19.110 3.137 1.00 0.00 O ATOM 0 H ASP A 8 2.566 -20.044 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 8 1.084 -19.689 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.534 -20.504 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.941 -18.801 0.712 1.00 0.00 H new ATOM 78 N GLN A 9 2.470 -17.027 -0.258 1.00 0.00 N ATOM 79 CA GLN A 9 2.412 -15.579 -0.361 1.00 0.00 C ATOM 80 C GLN A 9 1.173 -15.152 -1.151 1.00 0.00 C ATOM 81 O GLN A 9 0.781 -13.987 -1.117 1.00 0.00 O ATOM 82 CB GLN A 9 3.687 -15.022 -0.997 1.00 0.00 C ATOM 83 CG GLN A 9 3.821 -15.484 -2.450 1.00 0.00 C ATOM 84 CD GLN A 9 4.483 -14.405 -3.309 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.607 -14.540 -3.764 1.00 0.00 O ATOM 86 NE2 GLN A 9 3.725 -13.330 -3.506 1.00 0.00 N ATOM 0 H GLN A 9 3.168 -17.469 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 9 2.338 -15.166 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.672 -13.933 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.556 -15.349 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.411 -16.400 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.836 -15.721 -2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.792 -13.282 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.076 -12.554 -4.067 1.00 0.00 H new ATOM 95 N LYS A 10 0.591 -16.119 -1.845 1.00 0.00 N ATOM 96 CA LYS A 10 -0.595 -15.859 -2.643 1.00 0.00 C ATOM 97 C LYS A 10 -1.772 -15.553 -1.714 1.00 0.00 C ATOM 98 O LYS A 10 -2.555 -14.642 -1.978 1.00 0.00 O ATOM 99 CB LYS A 10 -0.857 -17.017 -3.607 1.00 0.00 C ATOM 100 CG LYS A 10 -1.517 -16.520 -4.895 1.00 0.00 C ATOM 101 CD LYS A 10 -0.596 -16.733 -6.099 1.00 0.00 C ATOM 102 CE LYS A 10 0.113 -15.432 -6.482 1.00 0.00 C ATOM 103 NZ LYS A 10 -0.636 -14.727 -7.546 1.00 0.00 N ATOM 0 H LYS A 10 0.919 -17.084 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.447 -14.980 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.082 -17.516 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.499 -17.756 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.457 -17.048 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.758 -15.461 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.143 -17.499 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.177 -17.098 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.204 -14.789 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.125 -15.650 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.141 -13.847 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.701 -15.336 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.593 -14.502 -7.206 1.00 0.00 H new ATOM 117 N LYS A 11 -1.859 -16.331 -0.646 1.00 0.00 N ATOM 118 CA LYS A 11 -2.927 -16.155 0.323 1.00 0.00 C ATOM 119 C LYS A 11 -2.682 -14.871 1.118 1.00 0.00 C ATOM 120 O LYS A 11 -3.626 -14.164 1.469 1.00 0.00 O ATOM 121 CB LYS A 11 -3.068 -17.402 1.199 1.00 0.00 C ATOM 122 CG LYS A 11 -3.569 -18.593 0.380 1.00 0.00 C ATOM 123 CD LYS A 11 -5.098 -18.615 0.323 1.00 0.00 C ATOM 124 CE LYS A 11 -5.607 -19.946 -0.235 1.00 0.00 C ATOM 125 NZ LYS A 11 -5.787 -19.857 -1.702 1.00 0.00 N ATOM 0 H LYS A 11 -1.207 -17.085 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.885 -16.040 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.106 -17.645 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.761 -17.201 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.165 -18.540 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.205 -19.521 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.505 -18.456 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.454 -17.795 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.901 -20.741 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.553 -20.208 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.133 -20.768 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.478 -19.112 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.877 -19.629 -2.150 1.00 0.00 H new ATOM 139 N PHE A 12 -1.410 -14.607 1.378 1.00 0.00 N ATOM 140 CA PHE A 12 -1.029 -13.420 2.124 1.00 0.00 C ATOM 141 C PHE A 12 -1.318 -12.151 1.320 1.00 0.00 C ATOM 142 O PHE A 12 -2.028 -11.263 1.789 1.00 0.00 O ATOM 143 CB PHE A 12 0.476 -13.516 2.380 1.00 0.00 C ATOM 144 CG PHE A 12 1.121 -12.196 2.807 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.504 -11.291 1.868 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.310 -11.928 4.127 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.102 -10.066 2.265 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.908 -10.703 4.525 1.00 0.00 C ATOM 149 CZ PHE A 12 2.292 -9.798 3.585 1.00 0.00 C ATOM 0 H PHE A 12 -0.630 -15.195 1.085 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.597 -13.366 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.655 -14.263 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.966 -13.871 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.353 -11.504 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.005 -12.647 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.406 -9.347 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.058 -10.490 5.573 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.748 -8.867 3.887 1.00 0.00 H new ATOM 159 N ILE A 13 -0.752 -12.105 0.123 1.00 0.00 N ATOM 160 CA ILE A 13 -0.940 -10.960 -0.751 1.00 0.00 C ATOM 161 C ILE A 13 -2.437 -10.701 -0.931 1.00 0.00 C ATOM 162 O ILE A 13 -2.907 -9.584 -0.722 1.00 0.00 O ATOM 163 CB ILE A 13 -0.188 -11.161 -2.068 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.069 -9.823 -2.763 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.927 -12.146 -2.976 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.212 -9.063 -2.085 1.00 0.00 C ATOM 0 H ILE A 13 -0.163 -12.843 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.513 -10.064 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 13 0.785 -11.598 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.313 -9.995 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.838 -9.218 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.372 -12.271 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.015 -13.109 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.922 -11.760 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.374 -8.115 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.954 -8.872 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.123 -9.660 -2.129 1.00 0.00 H new ATOM 178 N ASP A 14 -3.145 -11.753 -1.317 1.00 0.00 N ATOM 179 CA ASP A 14 -4.579 -11.653 -1.527 1.00 0.00 C ATOM 180 C ASP A 14 -5.218 -10.946 -0.330 1.00 0.00 C ATOM 181 O ASP A 14 -5.886 -9.926 -0.491 1.00 0.00 O ATOM 182 CB ASP A 14 -5.214 -13.039 -1.652 1.00 0.00 C ATOM 183 CG ASP A 14 -5.732 -13.389 -3.049 1.00 0.00 C ATOM 184 OD1 ASP A 14 -5.784 -12.461 -3.884 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.064 -14.578 -3.250 1.00 0.00 O ATOM 0 H ASP A 14 -2.752 -12.678 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.747 -11.094 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.479 -13.787 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.042 -13.108 -0.946 1.00 0.00 H new ATOM 190 N GLN A 15 -4.990 -11.517 0.844 1.00 0.00 N ATOM 191 CA GLN A 15 -5.535 -10.954 2.067 1.00 0.00 C ATOM 192 C GLN A 15 -5.316 -9.440 2.099 1.00 0.00 C ATOM 193 O GLN A 15 -6.195 -8.691 2.522 1.00 0.00 O ATOM 194 CB GLN A 15 -4.922 -11.623 3.299 1.00 0.00 C ATOM 195 CG GLN A 15 -3.977 -10.667 4.029 1.00 0.00 C ATOM 196 CD GLN A 15 -3.395 -11.321 5.284 1.00 0.00 C ATOM 197 OE1 GLN A 15 -4.086 -11.964 6.057 1.00 0.00 O ATOM 198 NE2 GLN A 15 -2.090 -11.123 5.442 1.00 0.00 N ATOM 0 H GLN A 15 -4.436 -12.363 0.974 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.608 -11.146 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.714 -11.944 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.378 -12.518 2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.168 -10.370 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.514 -9.759 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.571 -10.574 4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.608 -11.520 6.249 1.00 0.00 H new ATOM 207 N VAL A 16 -4.139 -9.035 1.646 1.00 0.00 N ATOM 208 CA VAL A 16 -3.793 -7.624 1.617 1.00 0.00 C ATOM 209 C VAL A 16 -4.613 -6.925 0.531 1.00 0.00 C ATOM 210 O VAL A 16 -5.177 -5.857 0.765 1.00 0.00 O ATOM 211 CB VAL A 16 -2.284 -7.459 1.428 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.900 -5.980 1.350 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.510 -8.169 2.541 1.00 0.00 C ATOM 0 H VAL A 16 -3.412 -9.659 1.296 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.041 -7.150 2.567 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.012 -7.926 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.822 -5.891 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.411 -5.516 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.193 -5.479 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.440 -8.036 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.789 -7.745 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.749 -9.232 2.529 1.00 0.00 H new ATOM 223 N ILE A 17 -4.652 -7.555 -0.634 1.00 0.00 N ATOM 224 CA ILE A 17 -5.393 -7.007 -1.757 1.00 0.00 C ATOM 225 C ILE A 17 -6.728 -6.451 -1.259 1.00 0.00 C ATOM 226 O ILE A 17 -7.178 -5.403 -1.718 1.00 0.00 O ATOM 227 CB ILE A 17 -5.536 -8.052 -2.865 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.166 -8.526 -3.352 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.399 -7.520 -4.012 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.168 -7.367 -3.397 1.00 0.00 C ATOM 0 H ILE A 17 -4.182 -8.440 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.848 -6.175 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.049 -8.920 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.792 -9.307 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.262 -8.967 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.485 -8.282 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.391 -7.272 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.936 -6.627 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.202 -7.732 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.534 -6.598 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.056 -6.944 -2.399 1.00 0.00 H new ATOM 242 N GLU A 18 -7.324 -7.179 -0.326 1.00 0.00 N ATOM 243 CA GLU A 18 -8.599 -6.772 0.240 1.00 0.00 C ATOM 244 C GLU A 18 -8.466 -5.410 0.924 1.00 0.00 C ATOM 245 O GLU A 18 -9.298 -4.526 0.724 1.00 0.00 O ATOM 246 CB GLU A 18 -9.129 -7.826 1.214 1.00 0.00 C ATOM 247 CG GLU A 18 -9.863 -8.942 0.469 1.00 0.00 C ATOM 248 CD GLU A 18 -11.303 -8.533 0.150 1.00 0.00 C ATOM 249 OE1 GLU A 18 -12.031 -8.219 1.116 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.643 -8.543 -1.053 1.00 0.00 O ATOM 0 H GLU A 18 -6.948 -8.048 0.052 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.321 -6.680 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.301 -8.248 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.804 -7.357 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.334 -9.176 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.864 -9.849 1.074 1.00 0.00 H new ATOM 257 N LYS A 19 -7.412 -5.283 1.718 1.00 0.00 N ATOM 258 CA LYS A 19 -7.159 -4.044 2.433 1.00 0.00 C ATOM 259 C LYS A 19 -7.038 -2.896 1.428 1.00 0.00 C ATOM 260 O LYS A 19 -7.652 -1.844 1.605 1.00 0.00 O ATOM 261 CB LYS A 19 -5.941 -4.192 3.347 1.00 0.00 C ATOM 262 CG LYS A 19 -6.127 -5.354 4.324 1.00 0.00 C ATOM 263 CD LYS A 19 -4.802 -5.728 4.990 1.00 0.00 C ATOM 264 CE LYS A 19 -4.599 -7.244 4.997 1.00 0.00 C ATOM 265 NZ LYS A 19 -5.042 -7.821 6.286 1.00 0.00 N ATOM 0 H LYS A 19 -6.724 -6.018 1.881 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.995 -3.806 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.048 -4.358 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.784 -3.267 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.856 -5.080 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.529 -6.218 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.978 -5.250 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.786 -5.351 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.159 -7.695 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.547 -7.477 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.897 -8.851 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.489 -7.403 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.051 -7.615 6.430 1.00 0.00 H new ATOM 279 N ILE A 20 -6.243 -3.136 0.396 1.00 0.00 N ATOM 280 CA ILE A 20 -6.034 -2.136 -0.637 1.00 0.00 C ATOM 281 C ILE A 20 -7.368 -1.829 -1.321 1.00 0.00 C ATOM 282 O ILE A 20 -7.847 -0.697 -1.275 1.00 0.00 O ATOM 283 CB ILE A 20 -4.936 -2.585 -1.603 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.592 -2.713 -0.884 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.853 -1.650 -2.811 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.608 -3.549 -1.705 1.00 0.00 C ATOM 0 H ILE A 20 -5.735 -4.009 0.253 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.678 -1.204 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.195 -3.575 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.174 -1.722 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.740 -3.174 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.065 -1.992 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.806 -1.653 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.629 -0.638 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.661 -3.624 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.018 -4.547 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.443 -3.072 -2.671 1.00 0.00 H new ATOM 298 N GLU A 21 -7.930 -2.857 -1.939 1.00 0.00 N ATOM 299 CA GLU A 21 -9.199 -2.711 -2.632 1.00 0.00 C ATOM 300 C GLU A 21 -10.117 -1.759 -1.863 1.00 0.00 C ATOM 301 O GLU A 21 -10.477 -0.696 -2.367 1.00 0.00 O ATOM 302 CB GLU A 21 -9.869 -4.071 -2.840 1.00 0.00 C ATOM 303 CG GLU A 21 -9.258 -4.807 -4.034 1.00 0.00 C ATOM 304 CD GLU A 21 -10.346 -5.297 -4.991 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.174 -4.451 -5.391 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.326 -6.508 -5.300 1.00 0.00 O ATOM 0 H GLU A 21 -7.530 -3.795 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.007 -2.283 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.759 -4.676 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.938 -3.933 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.575 -4.143 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.670 -5.654 -3.681 1.00 0.00 H new ATOM 313 N ASP A 22 -10.469 -2.174 -0.655 1.00 0.00 N ATOM 314 CA ASP A 22 -11.338 -1.371 0.188 1.00 0.00 C ATOM 315 C ASP A 22 -10.819 0.068 0.225 1.00 0.00 C ATOM 316 O ASP A 22 -11.548 1.003 -0.100 1.00 0.00 O ATOM 317 CB ASP A 22 -11.358 -1.903 1.623 1.00 0.00 C ATOM 318 CG ASP A 22 -12.746 -1.985 2.262 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.354 -0.907 2.440 1.00 0.00 O ATOM 320 OD2 ASP A 22 -13.167 -3.123 2.560 1.00 0.00 O ATOM 0 H ASP A 22 -10.168 -3.056 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.345 -1.415 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.911 -2.897 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.727 -1.264 2.241 1.00 0.00 H new ATOM 325 N PHE A 23 -9.562 0.200 0.624 1.00 0.00 N ATOM 326 CA PHE A 23 -8.937 1.509 0.707 1.00 0.00 C ATOM 327 C PHE A 23 -9.102 2.280 -0.604 1.00 0.00 C ATOM 328 O PHE A 23 -9.286 3.496 -0.595 1.00 0.00 O ATOM 329 CB PHE A 23 -7.447 1.277 0.964 1.00 0.00 C ATOM 330 CG PHE A 23 -6.538 2.362 0.382 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.623 3.639 0.843 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.647 2.049 -0.596 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.780 4.646 0.302 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.804 3.056 -1.137 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.888 4.333 -0.676 1.00 0.00 C ATOM 0 H PHE A 23 -8.960 -0.578 0.893 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.401 2.093 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.280 1.216 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.162 0.314 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.331 3.887 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.580 1.035 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.847 5.660 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.096 2.808 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.246 5.099 -1.087 1.00 0.00 H new ATOM 345 N LEU A 24 -9.031 1.540 -1.701 1.00 0.00 N ATOM 346 CA LEU A 24 -9.170 2.139 -3.018 1.00 0.00 C ATOM 347 C LEU A 24 -10.635 2.515 -3.250 1.00 0.00 C ATOM 348 O LEU A 24 -10.926 3.538 -3.868 1.00 0.00 O ATOM 349 CB LEU A 24 -8.595 1.213 -4.091 1.00 0.00 C ATOM 350 CG LEU A 24 -7.133 0.800 -3.908 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.815 -0.461 -4.715 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.190 1.954 -4.252 1.00 0.00 C ATOM 0 H LEU A 24 -8.879 0.531 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.590 3.060 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.205 0.310 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.694 1.705 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.975 0.558 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.770 -0.733 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.454 -1.278 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.995 -0.271 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.157 1.634 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.342 2.251 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.398 2.801 -3.598 1.00 0.00 H new ATOM 364 N GLN A 25 -11.517 1.668 -2.742 1.00 0.00 N ATOM 365 CA GLN A 25 -12.945 1.898 -2.886 1.00 0.00 C ATOM 366 C GLN A 25 -13.352 3.181 -2.158 1.00 0.00 C ATOM 367 O GLN A 25 -14.083 4.004 -2.706 1.00 0.00 O ATOM 368 CB GLN A 25 -13.748 0.700 -2.376 1.00 0.00 C ATOM 369 CG GLN A 25 -13.660 -0.475 -3.352 1.00 0.00 C ATOM 370 CD GLN A 25 -14.867 -0.499 -4.291 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.422 0.524 -4.657 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.241 -1.721 -4.660 1.00 0.00 N ATOM 0 H GLN A 25 -11.271 0.821 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.169 2.018 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.372 0.395 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.791 0.988 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.742 -0.400 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.609 -1.411 -2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.732 -2.536 -4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.037 -1.843 -5.286 1.00 0.00 H new ATOM 381 N SER A 26 -12.860 3.311 -0.935 1.00 0.00 N ATOM 382 CA SER A 26 -13.163 4.479 -0.126 1.00 0.00 C ATOM 383 C SER A 26 -12.699 5.747 -0.845 1.00 0.00 C ATOM 384 O SER A 26 -11.686 5.734 -1.543 1.00 0.00 O ATOM 385 CB SER A 26 -12.508 4.380 1.252 1.00 0.00 C ATOM 386 OG SER A 26 -13.302 4.990 2.266 1.00 0.00 O ATOM 0 H SER A 26 -12.253 2.626 -0.484 1.00 0.00 H new ATOM 0 HA SER A 26 -14.242 4.525 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.345 3.332 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.528 4.857 1.223 1.00 0.00 H new ATOM 0 HG SER A 26 -13.673 4.298 2.852 1.00 0.00 H new ATOM 392 N GLU A 27 -13.461 6.813 -0.649 1.00 0.00 N ATOM 393 CA GLU A 27 -13.141 8.087 -1.270 1.00 0.00 C ATOM 394 C GLU A 27 -12.282 8.935 -0.329 1.00 0.00 C ATOM 395 O GLU A 27 -11.205 9.393 -0.709 1.00 0.00 O ATOM 396 CB GLU A 27 -14.412 8.835 -1.675 1.00 0.00 C ATOM 397 CG GLU A 27 -14.500 8.985 -3.195 1.00 0.00 C ATOM 398 CD GLU A 27 -15.573 10.003 -3.585 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.693 9.882 -3.045 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.248 10.880 -4.415 1.00 0.00 O ATOM 0 H GLU A 27 -14.300 6.820 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.569 7.893 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.287 8.298 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.423 9.820 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.534 9.301 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.729 8.020 -3.647 1.00 0.00 H new ATOM 407 N GLU A 28 -12.791 9.118 0.880 1.00 0.00 N ATOM 408 CA GLU A 28 -12.084 9.903 1.878 1.00 0.00 C ATOM 409 C GLU A 28 -10.643 9.407 2.020 1.00 0.00 C ATOM 410 O GLU A 28 -9.704 10.201 1.986 1.00 0.00 O ATOM 411 CB GLU A 28 -12.812 9.863 3.223 1.00 0.00 C ATOM 412 CG GLU A 28 -13.484 11.205 3.522 1.00 0.00 C ATOM 413 CD GLU A 28 -12.507 12.169 4.198 1.00 0.00 C ATOM 414 OE1 GLU A 28 -12.126 11.875 5.351 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.164 13.179 3.545 1.00 0.00 O ATOM 0 H GLU A 28 -13.684 8.736 1.191 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.060 10.941 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.561 9.071 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.105 9.621 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.853 11.645 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.349 11.047 4.166 1.00 0.00 H new ATOM 422 N LYS A 29 -10.514 8.098 2.176 1.00 0.00 N ATOM 423 CA LYS A 29 -9.204 7.487 2.323 1.00 0.00 C ATOM 424 C LYS A 29 -8.226 8.147 1.349 1.00 0.00 C ATOM 425 O LYS A 29 -8.534 8.310 0.170 1.00 0.00 O ATOM 426 CB LYS A 29 -9.299 5.969 2.164 1.00 0.00 C ATOM 427 CG LYS A 29 -10.197 5.360 3.243 1.00 0.00 C ATOM 428 CD LYS A 29 -10.046 3.838 3.286 1.00 0.00 C ATOM 429 CE LYS A 29 -10.569 3.272 4.609 1.00 0.00 C ATOM 430 NZ LYS A 29 -12.049 3.297 4.634 1.00 0.00 N ATOM 0 H LYS A 29 -11.295 7.443 2.204 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.817 7.655 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.694 5.727 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.303 5.530 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.941 5.782 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.237 5.621 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.591 3.391 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.997 3.569 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.214 2.250 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.175 3.855 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.388 2.910 5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.381 4.277 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.419 2.722 3.851 1.00 0.00 H new ATOM 444 N ARG A 30 -7.067 8.510 1.879 1.00 0.00 N ATOM 445 CA ARG A 30 -6.042 9.148 1.071 1.00 0.00 C ATOM 446 C ARG A 30 -4.780 8.284 1.033 1.00 0.00 C ATOM 447 O ARG A 30 -4.141 8.157 -0.010 1.00 0.00 O ATOM 448 CB ARG A 30 -5.688 10.531 1.622 1.00 0.00 C ATOM 449 CG ARG A 30 -6.354 11.636 0.799 1.00 0.00 C ATOM 450 CD ARG A 30 -5.782 11.684 -0.619 1.00 0.00 C ATOM 451 NE ARG A 30 -5.498 13.084 -1.004 1.00 0.00 N ATOM 452 CZ ARG A 30 -4.481 13.806 -0.515 1.00 0.00 C ATOM 453 NH1 ARG A 30 -3.644 13.264 0.381 1.00 0.00 N ATOM 454 NH2 ARG A 30 -4.300 15.070 -0.921 1.00 0.00 N ATOM 0 H ARG A 30 -6.815 8.374 2.858 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.439 9.261 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.007 10.605 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.606 10.665 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.429 11.464 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.205 12.599 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.869 11.091 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.490 11.242 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.115 13.527 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.781 12.302 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.870 13.814 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.937 15.483 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.526 15.619 -0.548 1.00 0.00 H new ATOM 468 N SER A 31 -4.459 7.711 2.184 1.00 0.00 N ATOM 469 CA SER A 31 -3.285 6.862 2.296 1.00 0.00 C ATOM 470 C SER A 31 -3.558 5.718 3.275 1.00 0.00 C ATOM 471 O SER A 31 -3.938 5.955 4.420 1.00 0.00 O ATOM 472 CB SER A 31 -2.064 7.667 2.746 1.00 0.00 C ATOM 473 OG SER A 31 -2.415 8.986 3.153 1.00 0.00 O ATOM 0 H SER A 31 -4.992 7.818 3.047 1.00 0.00 H new ATOM 0 HA SER A 31 -3.069 6.445 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.574 7.151 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.343 7.719 1.930 1.00 0.00 H new ATOM 0 HG SER A 31 -1.609 9.467 3.434 1.00 0.00 H new ATOM 479 N LEU A 32 -3.352 4.503 2.788 1.00 0.00 N ATOM 480 CA LEU A 32 -3.571 3.323 3.605 1.00 0.00 C ATOM 481 C LEU A 32 -2.240 2.872 4.210 1.00 0.00 C ATOM 482 O LEU A 32 -1.246 2.734 3.498 1.00 0.00 O ATOM 483 CB LEU A 32 -4.279 2.234 2.796 1.00 0.00 C ATOM 484 CG LEU A 32 -4.565 0.926 3.537 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.805 1.058 4.424 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.682 -0.244 2.559 1.00 0.00 C ATOM 0 H LEU A 32 -3.036 4.311 1.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.237 3.554 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.224 2.636 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.671 2.007 1.920 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.721 0.714 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.986 0.115 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.645 1.848 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.669 1.306 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.885 -1.161 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.496 -0.054 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.748 -0.352 2.008 1.00 0.00 H new ATOM 498 N GLU A 33 -2.263 2.656 5.517 1.00 0.00 N ATOM 499 CA GLU A 33 -1.070 2.224 6.225 1.00 0.00 C ATOM 500 C GLU A 33 -1.158 0.732 6.552 1.00 0.00 C ATOM 501 O GLU A 33 -2.080 0.297 7.239 1.00 0.00 O ATOM 502 CB GLU A 33 -0.856 3.052 7.494 1.00 0.00 C ATOM 503 CG GLU A 33 -0.905 4.550 7.187 1.00 0.00 C ATOM 504 CD GLU A 33 -1.421 5.340 8.391 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.193 4.862 9.523 1.00 0.00 O ATOM 506 OE2 GLU A 33 -2.031 6.405 8.153 1.00 0.00 O ATOM 0 H GLU A 33 -3.089 2.772 6.104 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.208 2.384 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.622 2.803 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.107 2.800 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.090 4.902 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.551 4.728 6.327 1.00 0.00 H new ATOM 513 N LEU A 34 -0.185 -0.010 6.044 1.00 0.00 N ATOM 514 CA LEU A 34 -0.141 -1.444 6.273 1.00 0.00 C ATOM 515 C LEU A 34 0.699 -1.732 7.519 1.00 0.00 C ATOM 516 O LEU A 34 1.350 -0.835 8.054 1.00 0.00 O ATOM 517 CB LEU A 34 0.349 -2.173 5.020 1.00 0.00 C ATOM 518 CG LEU A 34 -0.694 -2.397 3.923 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.063 -3.051 2.692 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.883 -3.200 4.454 1.00 0.00 C ATOM 0 H LEU A 34 0.579 0.355 5.475 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.142 -1.829 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.178 -1.607 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.746 -3.143 5.320 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.076 -1.425 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.826 -3.199 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.723 -2.406 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.364 -4.015 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.610 -3.345 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.537 -4.170 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.351 -2.657 5.276 1.00 0.00 H new ATOM 532 N ASP A 35 0.658 -2.985 7.946 1.00 0.00 N ATOM 533 CA ASP A 35 1.407 -3.402 9.119 1.00 0.00 C ATOM 534 C ASP A 35 2.846 -3.723 8.712 1.00 0.00 C ATOM 535 O ASP A 35 3.094 -4.173 7.594 1.00 0.00 O ATOM 536 CB ASP A 35 0.800 -4.660 9.742 1.00 0.00 C ATOM 537 CG ASP A 35 -0.511 -4.439 10.500 1.00 0.00 C ATOM 538 OD1 ASP A 35 -1.278 -3.555 10.061 1.00 0.00 O ATOM 539 OD2 ASP A 35 -0.716 -5.159 11.501 1.00 0.00 O ATOM 0 H ASP A 35 0.117 -3.726 7.500 1.00 0.00 H new ATOM 0 HA ASP A 35 1.376 -2.590 9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.627 -5.391 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.528 -5.096 10.426 1.00 0.00 H new ATOM 544 N PRO A 36 3.783 -3.474 9.666 1.00 0.00 N ATOM 545 CA PRO A 36 5.191 -3.732 9.418 1.00 0.00 C ATOM 546 C PRO A 36 5.491 -5.231 9.467 1.00 0.00 C ATOM 547 O PRO A 36 5.368 -5.859 10.518 1.00 0.00 O ATOM 548 CB PRO A 36 5.930 -2.943 10.487 1.00 0.00 C ATOM 549 CG PRO A 36 4.905 -2.651 11.572 1.00 0.00 C ATOM 550 CD PRO A 36 3.527 -2.942 11.001 1.00 0.00 C ATOM 0 HA PRO A 36 5.506 -3.420 8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.768 -3.515 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.340 -2.020 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.092 -3.268 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.974 -1.611 11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.987 -3.661 11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.918 -2.039 10.957 1.00 0.00 H new ATOM 558 N CYS A 37 5.879 -5.762 8.317 1.00 0.00 N ATOM 559 CA CYS A 37 6.197 -7.176 8.215 1.00 0.00 C ATOM 560 C CYS A 37 7.687 -7.356 8.511 1.00 0.00 C ATOM 561 O CYS A 37 8.307 -6.499 9.139 1.00 0.00 O ATOM 562 CB CYS A 37 5.814 -7.745 6.847 1.00 0.00 C ATOM 563 SG CYS A 37 6.864 -7.004 5.545 1.00 0.00 S ATOM 0 H CYS A 37 5.980 -5.238 7.448 1.00 0.00 H new ATOM 0 HA CYS A 37 5.612 -7.736 8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.933 -8.829 6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.764 -7.540 6.640 1.00 0.00 H new ATOM 0 HG CYS A 37 6.113 -6.568 4.578 1.00 0.00 H new ATOM 569 N THR A 38 8.220 -8.476 8.044 1.00 0.00 N ATOM 570 CA THR A 38 9.626 -8.779 8.251 1.00 0.00 C ATOM 571 C THR A 38 10.477 -8.134 7.155 1.00 0.00 C ATOM 572 O THR A 38 11.329 -7.293 7.439 1.00 0.00 O ATOM 573 CB THR A 38 9.777 -10.299 8.321 1.00 0.00 C ATOM 574 OG1 THR A 38 9.597 -10.729 6.974 1.00 0.00 O ATOM 575 CG2 THR A 38 8.629 -10.967 9.081 1.00 0.00 C ATOM 0 H THR A 38 7.703 -9.184 7.523 1.00 0.00 H new ATOM 0 HA THR A 38 9.987 -8.359 9.190 1.00 0.00 H new ATOM 0 HB THR A 38 10.724 -10.547 8.801 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.681 -11.704 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.785 -12.046 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.598 -10.586 10.102 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.685 -10.746 8.582 1.00 0.00 H new ATOM 583 N GLY A 39 10.217 -8.552 5.925 1.00 0.00 N ATOM 584 CA GLY A 39 10.948 -8.026 4.785 1.00 0.00 C ATOM 585 C GLY A 39 10.539 -8.738 3.494 1.00 0.00 C ATOM 586 O GLY A 39 10.234 -8.091 2.494 1.00 0.00 O ATOM 0 H GLY A 39 9.510 -9.249 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.760 -6.957 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.019 -8.148 4.948 1.00 0.00 H new ATOM 590 N PHE A 40 10.545 -10.061 3.559 1.00 0.00 N ATOM 591 CA PHE A 40 10.177 -10.869 2.408 1.00 0.00 C ATOM 592 C PHE A 40 8.801 -10.468 1.874 1.00 0.00 C ATOM 593 O PHE A 40 8.672 -10.067 0.718 1.00 0.00 O ATOM 594 CB PHE A 40 10.124 -12.323 2.880 1.00 0.00 C ATOM 595 CG PHE A 40 10.095 -13.346 1.742 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.090 -13.360 0.815 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.073 -14.240 1.658 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.062 -14.309 -0.241 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.046 -15.189 0.602 1.00 0.00 C ATOM 600 CZ PHE A 40 10.041 -15.204 -0.325 1.00 0.00 C ATOM 0 H PHE A 40 10.799 -10.594 4.391 1.00 0.00 H new ATOM 0 HA PHE A 40 10.903 -10.728 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.990 -12.521 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.239 -12.461 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.901 -12.650 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.283 -14.228 2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.852 -14.320 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.235 -15.899 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.021 -15.926 -1.128 1.00 0.00 H new ATOM 610 N GLN A 41 7.806 -10.589 2.741 1.00 0.00 N ATOM 611 CA GLN A 41 6.444 -10.244 2.371 1.00 0.00 C ATOM 612 C GLN A 41 6.405 -8.859 1.723 1.00 0.00 C ATOM 613 O GLN A 41 5.849 -8.693 0.638 1.00 0.00 O ATOM 614 CB GLN A 41 5.514 -10.309 3.584 1.00 0.00 C ATOM 615 CG GLN A 41 5.036 -11.741 3.833 1.00 0.00 C ATOM 616 CD GLN A 41 5.669 -12.317 5.101 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.812 -12.050 5.432 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.864 -13.121 5.790 1.00 0.00 N ATOM 0 H GLN A 41 7.916 -10.921 3.699 1.00 0.00 H new ATOM 0 HA GLN A 41 6.089 -10.974 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.035 -9.937 4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.655 -9.658 3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.950 -11.755 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.291 -12.367 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.917 -13.303 5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.193 -13.556 6.652 1.00 0.00 H new ATOM 627 N ARG A 42 7.002 -7.899 2.415 1.00 0.00 N ATOM 628 CA ARG A 42 7.042 -6.534 1.920 1.00 0.00 C ATOM 629 C ARG A 42 7.349 -6.521 0.421 1.00 0.00 C ATOM 630 O ARG A 42 6.640 -5.884 -0.356 1.00 0.00 O ATOM 631 CB ARG A 42 8.100 -5.712 2.658 1.00 0.00 C ATOM 632 CG ARG A 42 8.431 -4.429 1.891 1.00 0.00 C ATOM 633 CD ARG A 42 9.307 -3.498 2.732 1.00 0.00 C ATOM 634 NE ARG A 42 10.735 -3.831 2.533 1.00 0.00 N ATOM 635 CZ ARG A 42 11.459 -3.430 1.479 1.00 0.00 C ATOM 636 NH1 ARG A 42 10.894 -2.680 0.523 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.749 -3.779 1.381 1.00 0.00 N ATOM 0 H ARG A 42 7.462 -8.040 3.314 1.00 0.00 H new ATOM 0 HA ARG A 42 6.063 -6.088 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.740 -5.461 3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.004 -6.307 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.945 -4.678 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.509 -3.917 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.124 -2.461 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.046 -3.593 3.786 1.00 0.00 H new ATOM 0 HE ARG A 42 11.197 -4.401 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.912 -2.414 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.446 -2.375 -0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.180 -4.350 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.300 -3.474 0.579 1.00 0.00 H new ATOM 651 N LYS A 43 8.407 -7.232 0.061 1.00 0.00 N ATOM 652 CA LYS A 43 8.817 -7.311 -1.331 1.00 0.00 C ATOM 653 C LYS A 43 7.665 -7.872 -2.167 1.00 0.00 C ATOM 654 O LYS A 43 7.432 -7.426 -3.289 1.00 0.00 O ATOM 655 CB LYS A 43 10.117 -8.106 -1.463 1.00 0.00 C ATOM 656 CG LYS A 43 11.237 -7.467 -0.639 1.00 0.00 C ATOM 657 CD LYS A 43 12.599 -7.690 -1.299 1.00 0.00 C ATOM 658 CE LYS A 43 13.585 -6.587 -0.910 1.00 0.00 C ATOM 659 NZ LYS A 43 14.963 -7.122 -0.845 1.00 0.00 N ATOM 0 H LYS A 43 8.993 -7.759 0.709 1.00 0.00 H new ATOM 0 HA LYS A 43 9.038 -6.317 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.956 -9.131 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.413 -8.154 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.051 -6.398 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.242 -7.891 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.997 -8.660 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.482 -7.713 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.538 -5.776 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.306 -6.166 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.619 -6.360 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.008 -7.880 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.232 -7.502 -1.775 1.00 0.00 H new ATOM 673 N LEU A 44 6.975 -8.843 -1.587 1.00 0.00 N ATOM 674 CA LEU A 44 5.852 -9.470 -2.264 1.00 0.00 C ATOM 675 C LEU A 44 4.796 -8.410 -2.582 1.00 0.00 C ATOM 676 O LEU A 44 4.333 -8.311 -3.717 1.00 0.00 O ATOM 677 CB LEU A 44 5.317 -10.644 -1.440 1.00 0.00 C ATOM 678 CG LEU A 44 6.358 -11.662 -0.970 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.735 -12.679 -0.011 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.039 -12.340 -2.160 1.00 0.00 C ATOM 0 H LEU A 44 7.172 -9.211 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 44 6.171 -9.897 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.807 -10.245 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.568 -11.168 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 44 7.132 -11.129 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.496 -13.391 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.335 -12.160 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.930 -13.211 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.774 -13.059 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.291 -12.858 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.538 -11.588 -2.771 1.00 0.00 H new ATOM 692 N ILE A 45 4.447 -7.644 -1.559 1.00 0.00 N ATOM 693 CA ILE A 45 3.454 -6.594 -1.715 1.00 0.00 C ATOM 694 C ILE A 45 3.851 -5.693 -2.885 1.00 0.00 C ATOM 695 O ILE A 45 3.089 -5.535 -3.838 1.00 0.00 O ATOM 696 CB ILE A 45 3.259 -5.842 -0.397 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.739 -6.777 0.696 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.351 -4.625 -0.590 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.685 -6.062 2.048 1.00 0.00 C ATOM 0 H ILE A 45 4.834 -7.729 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 45 2.481 -7.022 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 45 4.230 -5.471 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.745 -7.136 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.385 -7.652 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.228 -4.108 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.800 -3.947 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.377 -4.952 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.312 -6.749 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.685 -5.726 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.019 -5.202 1.978 1.00 0.00 H new ATOM 711 N TYR A 46 5.043 -5.124 -2.775 1.00 0.00 N ATOM 712 CA TYR A 46 5.550 -4.242 -3.812 1.00 0.00 C ATOM 713 C TYR A 46 5.534 -4.935 -5.177 1.00 0.00 C ATOM 714 O TYR A 46 5.129 -4.340 -6.174 1.00 0.00 O ATOM 715 CB TYR A 46 6.998 -3.929 -3.429 1.00 0.00 C ATOM 716 CG TYR A 46 7.146 -2.742 -2.476 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.950 -1.456 -2.939 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.476 -2.955 -1.153 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.090 -0.339 -2.043 1.00 0.00 C ATOM 720 CE2 TYR A 46 7.616 -1.837 -0.257 1.00 0.00 C ATOM 721 CZ TYR A 46 7.416 -0.584 -0.745 1.00 0.00 C ATOM 722 OH TYR A 46 7.548 0.472 0.102 1.00 0.00 O ATOM 0 H TYR A 46 5.672 -5.257 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 46 4.935 -3.345 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.439 -4.811 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.568 -3.727 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.691 -1.289 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.629 -3.961 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.940 0.672 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.874 -1.990 0.780 1.00 0.00 H new ATOM 0 HH TYR A 46 7.964 0.172 0.937 1.00 0.00 H new ATOM 732 N GLN A 47 5.981 -6.182 -5.177 1.00 0.00 N ATOM 733 CA GLN A 47 6.024 -6.962 -6.402 1.00 0.00 C ATOM 734 C GLN A 47 4.626 -7.060 -7.017 1.00 0.00 C ATOM 735 O GLN A 47 4.438 -6.743 -8.191 1.00 0.00 O ATOM 736 CB GLN A 47 6.609 -8.352 -6.147 1.00 0.00 C ATOM 737 CG GLN A 47 7.950 -8.522 -6.864 1.00 0.00 C ATOM 738 CD GLN A 47 8.083 -9.929 -7.452 1.00 0.00 C ATOM 739 OE1 GLN A 47 8.710 -10.809 -6.886 1.00 0.00 O ATOM 740 NE2 GLN A 47 7.460 -10.089 -8.616 1.00 0.00 N ATOM 0 H GLN A 47 6.317 -6.672 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 47 6.678 -6.454 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.743 -8.503 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.909 -9.114 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.038 -7.782 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.766 -8.337 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.953 -9.309 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.489 -10.992 -9.090 1.00 0.00 H new ATOM 749 N THR A 48 3.683 -7.501 -6.198 1.00 0.00 N ATOM 750 CA THR A 48 2.309 -7.645 -6.647 1.00 0.00 C ATOM 751 C THR A 48 1.770 -6.305 -7.153 1.00 0.00 C ATOM 752 O THR A 48 1.379 -6.188 -8.314 1.00 0.00 O ATOM 753 CB THR A 48 1.493 -8.230 -5.493 1.00 0.00 C ATOM 754 OG1 THR A 48 1.714 -9.635 -5.589 1.00 0.00 O ATOM 755 CG2 THR A 48 -0.015 -8.076 -5.704 1.00 0.00 C ATOM 0 H THR A 48 3.844 -7.763 -5.226 1.00 0.00 H new ATOM 0 HA THR A 48 2.240 -8.329 -7.493 1.00 0.00 H new ATOM 0 HB THR A 48 1.781 -7.742 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.890 -10.077 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.547 -8.508 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.264 -7.018 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.309 -8.592 -6.618 1.00 0.00 H new ATOM 763 N LEU A 49 1.767 -5.329 -6.258 1.00 0.00 N ATOM 764 CA LEU A 49 1.283 -4.002 -6.600 1.00 0.00 C ATOM 765 C LEU A 49 2.033 -3.491 -7.831 1.00 0.00 C ATOM 766 O LEU A 49 1.565 -2.583 -8.516 1.00 0.00 O ATOM 767 CB LEU A 49 1.379 -3.069 -5.391 1.00 0.00 C ATOM 768 CG LEU A 49 0.701 -3.560 -4.109 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.964 -2.600 -2.948 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.794 -3.791 -4.334 1.00 0.00 C ATOM 0 H LEU A 49 2.092 -5.430 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 49 0.226 -4.039 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.433 -2.892 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.944 -2.108 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 49 1.138 -4.521 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.471 -2.972 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.037 -2.529 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.571 -1.614 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.252 -4.139 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.264 -2.857 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.933 -4.541 -5.112 1.00 0.00 H new ATOM 782 N SER A 50 3.186 -4.097 -8.076 1.00 0.00 N ATOM 783 CA SER A 50 4.006 -3.715 -9.213 1.00 0.00 C ATOM 784 C SER A 50 3.211 -3.879 -10.510 1.00 0.00 C ATOM 785 O SER A 50 3.331 -3.064 -11.424 1.00 0.00 O ATOM 786 CB SER A 50 5.290 -4.545 -9.270 1.00 0.00 C ATOM 787 OG SER A 50 6.369 -3.819 -9.854 1.00 0.00 O ATOM 0 H SER A 50 3.572 -4.850 -7.506 1.00 0.00 H new ATOM 0 HA SER A 50 4.287 -2.668 -9.096 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.566 -4.856 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.110 -5.453 -9.846 1.00 0.00 H new ATOM 0 HG SER A 50 7.171 -4.382 -9.871 1.00 0.00 H new ATOM 793 N TRP A 51 2.415 -4.938 -10.549 1.00 0.00 N ATOM 794 CA TRP A 51 1.601 -5.219 -11.719 1.00 0.00 C ATOM 795 C TRP A 51 0.134 -5.018 -11.333 1.00 0.00 C ATOM 796 O TRP A 51 -0.680 -4.614 -12.162 1.00 0.00 O ATOM 797 CB TRP A 51 1.889 -6.619 -12.264 1.00 0.00 C ATOM 798 CG TRP A 51 1.850 -7.721 -11.203 1.00 0.00 C ATOM 799 CD1 TRP A 51 2.877 -8.250 -10.524 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.677 -8.411 -10.723 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.454 -9.226 -9.646 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.073 -9.327 -9.770 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.675 -8.266 -11.082 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.180 -10.170 -9.098 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.555 -9.115 -10.401 1.00 0.00 C ATOM 806 CH2 TRP A 51 -1.172 -10.043 -9.439 1.00 0.00 C ATOM 0 H TRP A 51 2.317 -5.611 -9.789 1.00 0.00 H new ATOM 0 HA TRP A 51 1.844 -4.535 -12.532 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.161 -6.852 -13.041 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.871 -6.619 -12.737 1.00 0.00 H new ATOM 0 HD1 TRP A 51 3.907 -7.950 -10.649 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.046 -9.773 -9.021 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.008 -7.556 -11.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.516 -10.880 -8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.606 -9.044 -10.640 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.914 -10.663 -8.957 1.00 0.00 H new ATOM 817 N LYS A 52 -0.159 -5.310 -10.074 1.00 0.00 N ATOM 818 CA LYS A 52 -1.513 -5.166 -9.568 1.00 0.00 C ATOM 819 C LYS A 52 -1.936 -3.699 -9.665 1.00 0.00 C ATOM 820 O LYS A 52 -3.113 -3.400 -9.864 1.00 0.00 O ATOM 821 CB LYS A 52 -1.623 -5.746 -8.157 1.00 0.00 C ATOM 822 CG LYS A 52 -2.095 -7.201 -8.197 1.00 0.00 C ATOM 823 CD LYS A 52 -3.061 -7.496 -7.048 1.00 0.00 C ATOM 824 CE LYS A 52 -4.513 -7.456 -7.529 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.780 -8.569 -8.466 1.00 0.00 N ATOM 0 H LYS A 52 0.519 -5.646 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.210 -5.740 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.655 -5.688 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.320 -5.150 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.585 -7.402 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.235 -7.868 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.841 -8.476 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.918 -6.766 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.187 -7.522 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.713 -6.504 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.786 -8.830 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.545 -8.271 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.197 -9.390 -8.205 1.00 0.00 H new ATOM 839 N TYR A 53 -0.953 -2.822 -9.518 1.00 0.00 N ATOM 840 CA TYR A 53 -1.209 -1.393 -9.586 1.00 0.00 C ATOM 841 C TYR A 53 0.080 -0.619 -9.870 1.00 0.00 C ATOM 842 O TYR A 53 0.729 -0.128 -8.947 1.00 0.00 O ATOM 843 CB TYR A 53 -1.737 -0.994 -8.207 1.00 0.00 C ATOM 844 CG TYR A 53 -2.939 -1.816 -7.739 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.217 -1.436 -8.097 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.746 -2.938 -6.959 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.348 -2.211 -7.656 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.877 -3.713 -6.518 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.122 -3.311 -6.888 1.00 0.00 C ATOM 850 OH TYR A 53 -6.191 -4.042 -6.472 1.00 0.00 O ATOM 0 H TYR A 53 0.022 -3.073 -9.352 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.915 -1.166 -10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.933 -1.097 -7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.016 0.060 -8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.369 -0.558 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.746 -3.235 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.353 -1.925 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.739 -4.593 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.880 -4.799 -5.933 1.00 0.00 H new ATOM 860 N PRO A 54 0.421 -0.532 -11.183 1.00 0.00 N ATOM 861 CA PRO A 54 1.621 0.175 -11.600 1.00 0.00 C ATOM 862 C PRO A 54 1.422 1.690 -11.514 1.00 0.00 C ATOM 863 O PRO A 54 2.351 2.423 -11.178 1.00 0.00 O ATOM 864 CB PRO A 54 1.891 -0.310 -13.014 1.00 0.00 C ATOM 865 CG PRO A 54 0.585 -0.911 -13.507 1.00 0.00 C ATOM 866 CD PRO A 54 -0.324 -1.100 -12.303 1.00 0.00 C ATOM 0 HA PRO A 54 2.475 -0.028 -10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.208 0.513 -13.655 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.691 -1.051 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.116 -0.255 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.766 -1.865 -14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.278 -0.591 -12.443 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.547 -2.154 -12.137 1.00 0.00 H new ATOM 874 N LYS A 55 0.206 2.113 -11.825 1.00 0.00 N ATOM 875 CA LYS A 55 -0.126 3.528 -11.787 1.00 0.00 C ATOM 876 C LYS A 55 -1.480 3.711 -11.099 1.00 0.00 C ATOM 877 O LYS A 55 -2.523 3.435 -11.690 1.00 0.00 O ATOM 878 CB LYS A 55 -0.064 4.130 -13.192 1.00 0.00 C ATOM 879 CG LYS A 55 -0.813 3.253 -14.198 1.00 0.00 C ATOM 880 CD LYS A 55 0.156 2.608 -15.191 1.00 0.00 C ATOM 881 CE LYS A 55 -0.097 3.115 -16.612 1.00 0.00 C ATOM 882 NZ LYS A 55 -1.346 2.536 -17.154 1.00 0.00 N ATOM 0 H LYS A 55 -0.561 1.502 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 55 0.609 4.076 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.497 5.130 -13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.976 4.236 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.366 2.477 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.544 3.855 -14.737 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.183 2.830 -14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.044 1.524 -15.162 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.165 4.203 -16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.743 2.849 -17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.503 2.890 -18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.268 1.499 -17.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.147 2.811 -16.550 1.00 0.00 H new ATOM 896 N GLY A 56 -1.420 4.176 -9.860 1.00 0.00 N ATOM 897 CA GLY A 56 -2.629 4.400 -9.085 1.00 0.00 C ATOM 898 C GLY A 56 -2.292 4.825 -7.654 1.00 0.00 C ATOM 899 O GLY A 56 -2.875 5.773 -7.131 1.00 0.00 O ATOM 0 H GLY A 56 -0.553 4.404 -9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.235 5.169 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.227 3.489 -9.066 1.00 0.00 H new ATOM 903 N ILE A 57 -1.352 4.103 -7.062 1.00 0.00 N ATOM 904 CA ILE A 57 -0.930 4.393 -5.702 1.00 0.00 C ATOM 905 C ILE A 57 0.598 4.449 -5.647 1.00 0.00 C ATOM 906 O ILE A 57 1.265 4.298 -6.670 1.00 0.00 O ATOM 907 CB ILE A 57 -1.544 3.389 -4.725 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.065 1.967 -5.027 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.071 3.490 -4.721 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.994 1.277 -6.028 1.00 0.00 C ATOM 0 H ILE A 57 -0.870 3.317 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.296 5.371 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.202 3.638 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.052 1.998 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.025 1.389 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.482 2.765 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.368 4.495 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.452 3.282 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.631 0.268 -6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.001 1.226 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.012 1.845 -6.958 1.00 0.00 H new ATOM 922 N HIS A 58 1.107 4.668 -4.444 1.00 0.00 N ATOM 923 CA HIS A 58 2.544 4.746 -4.243 1.00 0.00 C ATOM 924 C HIS A 58 2.912 4.084 -2.914 1.00 0.00 C ATOM 925 O HIS A 58 2.592 4.604 -1.846 1.00 0.00 O ATOM 926 CB HIS A 58 3.028 6.194 -4.338 1.00 0.00 C ATOM 927 CG HIS A 58 4.448 6.399 -3.868 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.074 6.004 -2.722 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 5.393 7.083 -4.612 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 6.332 6.423 -2.765 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 6.532 7.093 -3.936 1.00 0.00 N flip ATOM 0 H HIS A 58 0.550 4.794 -3.599 1.00 0.00 H new ATOM 0 HA HIS A 58 3.056 4.200 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.947 6.526 -5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.366 6.827 -3.748 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.647 5.476 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.230 7.533 -5.580 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.075 6.260 -1.999 1.00 0.00 H new ATOM 939 N VAL A 59 3.581 2.945 -3.022 1.00 0.00 N ATOM 940 CA VAL A 59 3.997 2.206 -1.842 1.00 0.00 C ATOM 941 C VAL A 59 5.313 2.786 -1.320 1.00 0.00 C ATOM 942 O VAL A 59 6.278 2.920 -2.072 1.00 0.00 O ATOM 943 CB VAL A 59 4.087 0.713 -2.164 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.341 -0.107 -0.898 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.827 0.231 -2.887 1.00 0.00 C ATOM 0 H VAL A 59 3.845 2.516 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 59 3.259 2.309 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 59 4.934 0.565 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.401 -1.165 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.279 0.209 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.524 0.049 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.917 -0.833 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.957 0.400 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.709 0.783 -3.820 1.00 0.00 H new ATOM 955 N GLU A 60 5.311 3.114 -0.037 1.00 0.00 N ATOM 956 CA GLU A 60 6.493 3.675 0.594 1.00 0.00 C ATOM 957 C GLU A 60 6.684 3.080 1.991 1.00 0.00 C ATOM 958 O GLU A 60 5.713 2.869 2.717 1.00 0.00 O ATOM 959 CB GLU A 60 6.409 5.202 0.656 1.00 0.00 C ATOM 960 CG GLU A 60 5.045 5.655 1.182 1.00 0.00 C ATOM 961 CD GLU A 60 4.575 6.922 0.466 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.097 8.001 0.821 1.00 0.00 O ATOM 963 OE2 GLU A 60 3.704 6.784 -0.420 1.00 0.00 O ATOM 0 H GLU A 60 4.509 3.002 0.583 1.00 0.00 H new ATOM 0 HA GLU A 60 7.361 3.415 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.198 5.587 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.577 5.620 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.314 4.860 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.108 5.841 2.254 1.00 0.00 H new ATOM 970 N THR A 61 7.940 2.826 2.325 1.00 0.00 N ATOM 971 CA THR A 61 8.270 2.259 3.621 1.00 0.00 C ATOM 972 C THR A 61 8.661 3.365 4.603 1.00 0.00 C ATOM 973 O THR A 61 9.761 3.910 4.524 1.00 0.00 O ATOM 974 CB THR A 61 9.368 1.213 3.415 1.00 0.00 C ATOM 975 OG1 THR A 61 8.718 0.164 2.702 1.00 0.00 O ATOM 976 CG2 THR A 61 9.806 0.557 4.726 1.00 0.00 C ATOM 0 H THR A 61 8.742 3.003 1.720 1.00 0.00 H new ATOM 0 HA THR A 61 7.408 1.762 4.066 1.00 0.00 H new ATOM 0 HB THR A 61 10.230 1.680 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.371 -0.302 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.586 -0.177 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.192 1.319 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.952 0.060 5.187 1.00 0.00 H new ATOM 984 N LEU A 62 7.739 3.664 5.507 1.00 0.00 N ATOM 985 CA LEU A 62 7.974 4.695 6.503 1.00 0.00 C ATOM 986 C LEU A 62 8.440 4.042 7.806 1.00 0.00 C ATOM 987 O LEU A 62 7.864 3.050 8.248 1.00 0.00 O ATOM 988 CB LEU A 62 6.734 5.575 6.665 1.00 0.00 C ATOM 989 CG LEU A 62 6.173 6.188 5.380 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.807 6.831 5.630 1.00 0.00 C ATOM 991 CD2 LEU A 62 7.167 7.175 4.764 1.00 0.00 C ATOM 0 H LEU A 62 6.828 3.210 5.570 1.00 0.00 H new ATOM 0 HA LEU A 62 8.771 5.364 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.949 4.980 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.975 6.384 7.355 1.00 0.00 H new ATOM 0 HG LEU A 62 6.024 5.387 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.431 7.259 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.109 6.075 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.907 7.618 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.744 7.596 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.371 7.977 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.096 6.656 4.527 1.00 0.00 H new ATOM 1003 N GLU A 63 9.479 4.627 8.384 1.00 0.00 N ATOM 1004 CA GLU A 63 10.029 4.114 9.628 1.00 0.00 C ATOM 1005 C GLU A 63 9.829 5.130 10.755 1.00 0.00 C ATOM 1006 O GLU A 63 10.188 6.298 10.613 1.00 0.00 O ATOM 1007 CB GLU A 63 11.508 3.758 9.468 1.00 0.00 C ATOM 1008 CG GLU A 63 12.116 3.324 10.803 1.00 0.00 C ATOM 1009 CD GLU A 63 13.510 2.726 10.603 1.00 0.00 C ATOM 1010 OE1 GLU A 63 13.691 2.040 9.575 1.00 0.00 O ATOM 1011 OE2 GLU A 63 14.363 2.970 11.483 1.00 0.00 O ATOM 0 H GLU A 63 9.954 5.450 8.015 1.00 0.00 H new ATOM 0 HA GLU A 63 9.495 3.200 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.616 2.956 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.053 4.618 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.177 4.181 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.467 2.590 11.281 1.00 0.00 H new ATOM 1018 N THR A 64 9.257 4.647 11.848 1.00 0.00 N ATOM 1019 CA THR A 64 9.005 5.498 12.999 1.00 0.00 C ATOM 1020 C THR A 64 9.679 4.923 14.246 1.00 0.00 C ATOM 1021 O THR A 64 10.739 4.306 14.154 1.00 0.00 O ATOM 1022 CB THR A 64 7.491 5.658 13.146 1.00 0.00 C ATOM 1023 OG1 THR A 64 7.045 4.373 13.570 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.791 5.870 11.802 1.00 0.00 C ATOM 0 H THR A 64 8.961 3.678 11.961 1.00 0.00 H new ATOM 0 HA THR A 64 9.439 6.488 12.861 1.00 0.00 H new ATOM 0 HB THR A 64 7.278 6.501 13.803 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.797 4.409 14.517 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.718 5.978 11.963 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.179 6.772 11.328 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.976 5.012 11.156 1.00 0.00 H new ATOM 1032 N ASP A 65 9.036 5.145 15.383 1.00 0.00 N ATOM 1033 CA ASP A 65 9.561 4.657 16.647 1.00 0.00 C ATOM 1034 C ASP A 65 9.043 3.239 16.894 1.00 0.00 C ATOM 1035 O ASP A 65 9.824 2.291 16.958 1.00 0.00 O ATOM 1036 CB ASP A 65 9.102 5.538 17.811 1.00 0.00 C ATOM 1037 CG ASP A 65 10.165 5.803 18.878 1.00 0.00 C ATOM 1038 OD1 ASP A 65 11.256 5.204 18.755 1.00 0.00 O ATOM 1039 OD2 ASP A 65 9.864 6.599 19.794 1.00 0.00 O ATOM 0 H ASP A 65 8.156 5.656 15.455 1.00 0.00 H new ATOM 0 HA ASP A 65 10.649 4.674 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.763 6.494 17.412 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.241 5.067 18.286 1.00 0.00 H new ATOM 1044 N LYS A 66 7.728 3.138 17.028 1.00 0.00 N ATOM 1045 CA LYS A 66 7.097 1.851 17.268 1.00 0.00 C ATOM 1046 C LYS A 66 6.627 1.263 15.936 1.00 0.00 C ATOM 1047 O LYS A 66 6.736 0.058 15.712 1.00 0.00 O ATOM 1048 CB LYS A 66 5.983 1.987 18.307 1.00 0.00 C ATOM 1049 CG LYS A 66 4.816 2.810 17.757 1.00 0.00 C ATOM 1050 CD LYS A 66 3.662 2.865 18.760 1.00 0.00 C ATOM 1051 CE LYS A 66 3.214 4.308 19.000 1.00 0.00 C ATOM 1052 NZ LYS A 66 2.505 4.422 20.295 1.00 0.00 N ATOM 0 H LYS A 66 7.083 3.926 16.975 1.00 0.00 H new ATOM 0 HA LYS A 66 7.814 1.148 17.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.630 0.998 18.598 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.376 2.462 19.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.154 3.821 17.531 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.468 2.374 16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.823 2.277 18.388 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.973 2.415 19.703 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.080 4.970 18.993 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.559 4.631 18.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.208 5.408 20.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.668 3.805 20.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.141 4.133 21.066 1.00 0.00 H new ATOM 1066 N LYS A 67 6.113 2.140 15.086 1.00 0.00 N ATOM 1067 CA LYS A 67 5.626 1.723 13.782 1.00 0.00 C ATOM 1068 C LYS A 67 6.766 1.061 13.005 1.00 0.00 C ATOM 1069 O LYS A 67 6.594 -0.019 12.443 1.00 0.00 O ATOM 1070 CB LYS A 67 4.984 2.901 13.048 1.00 0.00 C ATOM 1071 CG LYS A 67 3.581 2.541 12.555 1.00 0.00 C ATOM 1072 CD LYS A 67 2.630 2.307 13.731 1.00 0.00 C ATOM 1073 CE LYS A 67 1.626 3.454 13.861 1.00 0.00 C ATOM 1074 NZ LYS A 67 1.381 3.769 15.286 1.00 0.00 N ATOM 0 H LYS A 67 6.023 3.138 15.275 1.00 0.00 H new ATOM 0 HA LYS A 67 4.838 0.978 13.890 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.930 3.763 13.713 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.607 3.190 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.196 3.343 11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.628 1.645 11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.097 1.367 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.203 2.214 14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.005 4.337 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.689 3.181 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.697 4.550 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.999 2.930 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.275 4.050 15.738 1.00 0.00 H new ATOM 1088 N GLU A 68 7.905 1.738 12.997 1.00 0.00 N ATOM 1089 CA GLU A 68 9.073 1.229 12.298 1.00 0.00 C ATOM 1090 C GLU A 68 8.766 1.054 10.809 1.00 0.00 C ATOM 1091 O GLU A 68 7.612 1.155 10.394 1.00 0.00 O ATOM 1092 CB GLU A 68 9.554 -0.085 12.917 1.00 0.00 C ATOM 1093 CG GLU A 68 10.361 0.172 14.191 1.00 0.00 C ATOM 1094 CD GLU A 68 10.881 -1.138 14.784 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.032 -2.011 15.064 1.00 0.00 O ATOM 1096 OE2 GLU A 68 12.117 -1.238 14.944 1.00 0.00 O ATOM 0 H GLU A 68 8.044 2.634 13.463 1.00 0.00 H new ATOM 0 HA GLU A 68 9.879 1.956 12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.697 -0.718 13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.167 -0.627 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.199 0.832 13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.738 0.685 14.923 1.00 0.00 H new ATOM 1103 N ARG A 69 9.818 0.794 10.047 1.00 0.00 N ATOM 1104 CA ARG A 69 9.675 0.604 8.614 1.00 0.00 C ATOM 1105 C ARG A 69 8.391 -0.169 8.306 1.00 0.00 C ATOM 1106 O ARG A 69 8.311 -1.371 8.552 1.00 0.00 O ATOM 1107 CB ARG A 69 10.870 -0.157 8.037 1.00 0.00 C ATOM 1108 CG ARG A 69 10.920 -1.588 8.576 1.00 0.00 C ATOM 1109 CD ARG A 69 12.362 -2.095 8.655 1.00 0.00 C ATOM 1110 NE ARG A 69 12.374 -3.561 8.852 1.00 0.00 N ATOM 1111 CZ ARG A 69 13.434 -4.252 9.293 1.00 0.00 C ATOM 1112 NH1 ARG A 69 14.575 -3.613 9.586 1.00 0.00 N ATOM 1113 NH2 ARG A 69 13.353 -5.581 9.442 1.00 0.00 N ATOM 0 H ARG A 69 10.773 0.710 10.395 1.00 0.00 H new ATOM 0 HA ARG A 69 9.629 1.590 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.803 -0.176 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.794 0.363 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.464 -1.624 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.335 -2.244 7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.897 -1.839 7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.884 -1.605 9.477 1.00 0.00 H new ATOM 0 HE ARG A 69 11.521 -4.079 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.636 -2.601 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.382 -4.139 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.484 -6.067 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.160 -6.107 9.778 1.00 0.00 H new ATOM 1127 N HIS A 70 7.416 0.554 7.773 1.00 0.00 N ATOM 1128 CA HIS A 70 6.140 -0.049 7.429 1.00 0.00 C ATOM 1129 C HIS A 70 5.689 0.451 6.055 1.00 0.00 C ATOM 1130 O HIS A 70 5.907 1.612 5.711 1.00 0.00 O ATOM 1131 CB HIS A 70 5.103 0.213 8.524 1.00 0.00 C ATOM 1132 CG HIS A 70 4.395 1.541 8.395 1.00 0.00 C ATOM 1133 ND1 HIS A 70 3.090 1.737 8.810 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.824 2.735 7.894 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.758 2.997 8.565 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.834 3.613 7.997 1.00 0.00 N ATOM 0 H HIS A 70 7.485 1.551 7.571 1.00 0.00 H new ATOM 0 HA HIS A 70 6.251 -1.131 7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.361 -0.586 8.506 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.596 0.169 9.495 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.486 1.032 9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.803 2.932 7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.803 3.455 8.778 1.00 0.00 H new ATOM 1144 N ILE A 71 5.071 -0.450 5.307 1.00 0.00 N ATOM 1145 CA ILE A 71 4.588 -0.115 3.978 1.00 0.00 C ATOM 1146 C ILE A 71 3.415 0.860 4.097 1.00 0.00 C ATOM 1147 O ILE A 71 2.561 0.706 4.968 1.00 0.00 O ATOM 1148 CB ILE A 71 4.254 -1.386 3.193 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.524 -2.166 2.847 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.424 -1.060 1.950 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.182 -3.547 2.284 1.00 0.00 C ATOM 0 H ILE A 71 4.893 -1.412 5.596 1.00 0.00 H new ATOM 0 HA ILE A 71 5.366 0.390 3.406 1.00 0.00 H new ATOM 0 HB ILE A 71 3.644 -2.030 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.111 -1.607 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.142 -2.275 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.200 -1.980 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.493 -0.580 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.987 -0.387 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.102 -4.081 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.616 -4.112 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.584 -3.433 1.380 1.00 0.00 H new ATOM 1163 N VAL A 72 3.412 1.843 3.208 1.00 0.00 N ATOM 1164 CA VAL A 72 2.359 2.844 3.202 1.00 0.00 C ATOM 1165 C VAL A 72 1.868 3.053 1.769 1.00 0.00 C ATOM 1166 O VAL A 72 2.670 3.235 0.854 1.00 0.00 O ATOM 1167 CB VAL A 72 2.858 4.133 3.857 1.00 0.00 C ATOM 1168 CG1 VAL A 72 2.103 5.350 3.318 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.750 4.052 5.381 1.00 0.00 C ATOM 0 H VAL A 72 4.122 1.967 2.487 1.00 0.00 H new ATOM 0 HA VAL A 72 1.507 2.505 3.791 1.00 0.00 H new ATOM 0 HB VAL A 72 3.911 4.252 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.477 6.253 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.254 5.424 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.039 5.241 3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.111 4.981 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.709 3.897 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.353 3.220 5.745 1.00 0.00 H new ATOM 1179 N ILE A 73 0.552 3.019 1.617 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.056 3.202 0.310 1.00 0.00 C ATOM 1181 C ILE A 73 -0.651 4.609 0.222 1.00 0.00 C ATOM 1182 O ILE A 73 -1.626 4.918 0.904 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.066 2.088 0.028 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.383 0.719 0.010 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.836 2.361 -1.266 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.107 0.226 1.432 1.00 0.00 C ATOM 0 H ILE A 73 -0.110 2.867 2.378 1.00 0.00 H new ATOM 0 HA ILE A 73 0.696 3.124 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.794 2.074 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.015 0.000 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.553 0.783 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.547 1.554 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.373 3.305 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.137 2.418 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.379 -0.749 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.545 0.935 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.047 0.140 1.976 1.00 0.00 H new ATOM 1198 N SER A 74 -0.039 5.423 -0.625 1.00 0.00 N ATOM 1199 CA SER A 74 -0.496 6.790 -0.811 1.00 0.00 C ATOM 1200 C SER A 74 -1.149 6.940 -2.187 1.00 0.00 C ATOM 1201 O SER A 74 -0.569 6.552 -3.199 1.00 0.00 O ATOM 1202 CB SER A 74 0.659 7.782 -0.661 1.00 0.00 C ATOM 1203 OG SER A 74 1.535 7.425 0.405 1.00 0.00 O ATOM 0 H SER A 74 0.769 5.163 -1.190 1.00 0.00 H new ATOM 0 HA SER A 74 -1.233 7.013 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.222 7.826 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.259 8.780 -0.482 1.00 0.00 H new ATOM 0 HG SER A 74 2.224 6.814 0.071 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.348 7.505 -2.178 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.086 7.711 -3.412 1.00 0.00 C ATOM 1211 C LYS A 75 -2.208 8.474 -4.406 1.00 0.00 C ATOM 1212 O LYS A 75 -1.600 9.484 -4.054 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.426 8.392 -3.128 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.593 7.438 -3.388 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.228 6.976 -2.074 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.192 5.812 -2.311 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.527 6.317 -2.702 1.00 0.00 N ATOM 0 H LYS A 75 -2.826 7.826 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.332 6.754 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.453 8.731 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.528 9.277 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.343 7.935 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.242 6.573 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.448 6.671 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.762 7.807 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.800 5.160 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.275 5.210 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.169 5.514 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.906 6.920 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.445 6.872 -3.578 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.169 7.962 -5.627 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.375 8.582 -6.674 1.00 0.00 C ATOM 1233 C VAL A 76 -2.248 8.793 -7.913 1.00 0.00 C ATOM 1234 O VAL A 76 -3.334 8.226 -8.015 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.130 7.739 -6.956 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.579 8.215 -8.225 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.822 7.749 -5.759 1.00 0.00 C ATOM 0 H VAL A 76 -2.675 7.124 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.021 9.562 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.452 6.710 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.460 7.599 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.099 8.131 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.882 9.255 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.699 7.142 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.133 8.773 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.313 7.339 -4.886 1.00 0.00 H new ATOM 1247 N ASP A 77 -1.739 9.610 -8.824 1.00 0.00 N ATOM 1248 CA ASP A 77 -2.459 9.902 -10.052 1.00 0.00 C ATOM 1249 C ASP A 77 -1.455 10.157 -11.178 1.00 0.00 C ATOM 1250 O ASP A 77 -0.262 10.323 -10.925 1.00 0.00 O ATOM 1251 CB ASP A 77 -3.324 11.155 -9.898 1.00 0.00 C ATOM 1252 CG ASP A 77 -4.577 11.187 -10.776 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -4.403 11.266 -12.011 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -5.680 11.131 -10.192 1.00 0.00 O ATOM 0 H ASP A 77 -0.837 10.079 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.097 9.048 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.627 11.243 -8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.715 12.029 -10.128 1.00 0.00 H new ATOM 1259 N GLU A 78 -1.974 10.178 -12.397 1.00 0.00 N ATOM 1260 CA GLU A 78 -1.137 10.409 -13.562 1.00 0.00 C ATOM 1261 C GLU A 78 -0.655 11.861 -13.590 1.00 0.00 C ATOM 1262 O GLU A 78 0.547 12.120 -13.562 1.00 0.00 O ATOM 1263 CB GLU A 78 -1.882 10.054 -14.851 1.00 0.00 C ATOM 1264 CG GLU A 78 -1.069 9.077 -15.702 1.00 0.00 C ATOM 1265 CD GLU A 78 -0.298 9.815 -16.799 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -0.968 10.289 -17.741 1.00 0.00 O ATOM 1267 OE2 GLU A 78 0.943 9.888 -16.669 1.00 0.00 O ATOM 0 H GLU A 78 -2.963 10.039 -12.603 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.265 9.758 -13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.848 9.613 -14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.081 10.961 -15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.372 8.530 -15.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.735 8.341 -16.153 1.00 0.00 H new ATOM 1274 N GLU A 79 -1.618 12.770 -13.645 1.00 0.00 N ATOM 1275 CA GLU A 79 -1.307 14.189 -13.678 1.00 0.00 C ATOM 1276 C GLU A 79 -0.180 14.507 -12.693 1.00 0.00 C ATOM 1277 O GLU A 79 0.680 15.340 -12.977 1.00 0.00 O ATOM 1278 CB GLU A 79 -2.550 15.029 -13.379 1.00 0.00 C ATOM 1279 CG GLU A 79 -3.195 14.605 -12.058 1.00 0.00 C ATOM 1280 CD GLU A 79 -2.709 15.484 -10.904 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -1.537 15.911 -10.970 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -3.522 15.708 -9.981 1.00 0.00 O ATOM 0 H GLU A 79 -2.614 12.551 -13.668 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.969 14.445 -14.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.278 16.083 -13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.270 14.921 -14.190 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.280 14.674 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.956 13.562 -11.851 1.00 0.00 H new ATOM 1289 N GLU A 80 -0.220 13.828 -11.557 1.00 0.00 N ATOM 1290 CA GLU A 80 0.787 14.028 -10.528 1.00 0.00 C ATOM 1291 C GLU A 80 2.188 13.964 -11.139 1.00 0.00 C ATOM 1292 O GLU A 80 2.948 14.928 -11.061 1.00 0.00 O ATOM 1293 CB GLU A 80 0.632 13.004 -9.402 1.00 0.00 C ATOM 1294 CG GLU A 80 0.726 13.679 -8.032 1.00 0.00 C ATOM 1295 CD GLU A 80 -0.666 14.006 -7.485 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -1.380 14.768 -8.172 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -0.983 13.487 -6.393 1.00 0.00 O ATOM 0 H GLU A 80 -0.934 13.138 -11.326 1.00 0.00 H new ATOM 0 HA GLU A 80 0.645 15.018 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.328 12.496 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.406 12.241 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.250 13.025 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.313 14.594 -8.113 1.00 0.00 H new ATOM 1304 N ARG A 81 2.488 12.818 -11.733 1.00 0.00 N ATOM 1305 CA ARG A 81 3.785 12.615 -12.356 1.00 0.00 C ATOM 1306 C ARG A 81 3.831 13.303 -13.722 1.00 0.00 C ATOM 1307 O ARG A 81 2.846 13.295 -14.458 1.00 0.00 O ATOM 1308 CB ARG A 81 4.084 11.125 -12.533 1.00 0.00 C ATOM 1309 CG ARG A 81 5.458 10.771 -11.961 1.00 0.00 C ATOM 1310 CD ARG A 81 5.322 9.995 -10.649 1.00 0.00 C ATOM 1311 NE ARG A 81 6.223 8.820 -10.660 1.00 0.00 N ATOM 1312 CZ ARG A 81 6.374 7.980 -9.627 1.00 0.00 C ATOM 1313 NH1 ARG A 81 5.685 8.179 -8.495 1.00 0.00 N ATOM 1314 NH2 ARG A 81 7.213 6.940 -9.726 1.00 0.00 N ATOM 0 H ARG A 81 1.855 12.021 -11.796 1.00 0.00 H new ATOM 0 HA ARG A 81 4.539 13.050 -11.700 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.315 10.534 -12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.049 10.866 -13.591 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.014 10.175 -12.684 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.031 11.683 -11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.566 10.643 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.290 9.671 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 81 6.762 8.639 -11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.045 8.970 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.800 7.539 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.737 6.788 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.328 6.301 -8.940 1.00 0.00 H new ATOM 1328 N SER A 82 4.985 13.883 -14.018 1.00 0.00 N ATOM 1329 CA SER A 82 5.172 14.574 -15.283 1.00 0.00 C ATOM 1330 C SER A 82 5.002 13.594 -16.445 1.00 0.00 C ATOM 1331 O SER A 82 4.260 13.867 -17.388 1.00 0.00 O ATOM 1332 CB SER A 82 6.548 15.241 -15.348 1.00 0.00 C ATOM 1333 OG SER A 82 6.689 16.062 -16.503 1.00 0.00 O ATOM 0 H SER A 82 5.800 13.889 -13.404 1.00 0.00 H new ATOM 0 HA SER A 82 4.415 15.355 -15.361 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.701 15.845 -14.453 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.323 14.474 -15.351 1.00 0.00 H new ATOM 0 HG SER A 82 7.580 16.471 -16.507 1.00 0.00 H new ATOM 1339 N GLY A 83 5.701 12.474 -16.340 1.00 0.00 N ATOM 1340 CA GLY A 83 5.636 11.451 -17.371 1.00 0.00 C ATOM 1341 C GLY A 83 7.038 11.038 -17.821 1.00 0.00 C ATOM 1342 O GLY A 83 7.748 11.820 -18.452 1.00 0.00 O ATOM 0 H GLY A 83 6.316 12.252 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.101 10.581 -16.992 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.071 11.825 -18.225 1.00 0.00 H new ATOM 1346 N PRO A 84 7.406 9.776 -17.471 1.00 0.00 N ATOM 1347 CA PRO A 84 8.710 9.249 -17.832 1.00 0.00 C ATOM 1348 C PRO A 84 8.764 8.888 -19.318 1.00 0.00 C ATOM 1349 O PRO A 84 8.284 7.830 -19.722 1.00 0.00 O ATOM 1350 CB PRO A 84 8.916 8.049 -16.922 1.00 0.00 C ATOM 1351 CG PRO A 84 7.534 7.670 -16.414 1.00 0.00 C ATOM 1352 CD PRO A 84 6.592 8.822 -16.724 1.00 0.00 C ATOM 0 HA PRO A 84 9.509 9.977 -17.696 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.373 7.221 -17.464 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.582 8.295 -16.095 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.189 6.754 -16.894 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.561 7.477 -15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.736 8.487 -17.310 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.198 9.268 -15.811 1.00 0.00 H new ATOM 1360 N SER A 85 9.351 9.789 -20.092 1.00 0.00 N ATOM 1361 CA SER A 85 9.474 9.580 -21.525 1.00 0.00 C ATOM 1362 C SER A 85 9.970 8.160 -21.805 1.00 0.00 C ATOM 1363 O SER A 85 9.296 7.386 -22.483 1.00 0.00 O ATOM 1364 CB SER A 85 10.418 10.606 -22.153 1.00 0.00 C ATOM 1365 OG SER A 85 11.701 10.601 -21.532 1.00 0.00 O ATOM 0 H SER A 85 9.747 10.666 -19.754 1.00 0.00 H new ATOM 0 HA SER A 85 8.490 9.710 -21.975 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.529 10.393 -23.216 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.979 11.600 -22.071 1.00 0.00 H new ATOM 0 HG SER A 85 12.275 11.268 -21.962 1.00 0.00 H new ATOM 1371 N SER A 86 11.145 7.861 -21.270 1.00 0.00 N ATOM 1372 CA SER A 86 11.739 6.548 -21.454 1.00 0.00 C ATOM 1373 C SER A 86 10.964 5.505 -20.647 1.00 0.00 C ATOM 1374 O SER A 86 10.426 4.553 -21.211 1.00 0.00 O ATOM 1375 CB SER A 86 13.213 6.549 -21.044 1.00 0.00 C ATOM 1376 OG SER A 86 14.029 7.243 -21.983 1.00 0.00 O ATOM 0 H SER A 86 11.702 8.506 -20.709 1.00 0.00 H new ATOM 0 HA SER A 86 11.684 6.293 -22.512 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.316 7.012 -20.063 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.563 5.521 -20.949 1.00 0.00 H new ATOM 0 HG SER A 86 14.962 7.222 -21.684 1.00 0.00 H new ATOM 1382 N GLY A 87 10.930 5.719 -19.340 1.00 0.00 N ATOM 1383 CA GLY A 87 10.229 4.809 -18.450 1.00 0.00 C ATOM 1384 C GLY A 87 10.815 4.864 -17.038 1.00 0.00 C ATOM 1385 O GLY A 87 10.629 3.939 -16.249 1.00 0.00 O ATOM 0 H GLY A 87 11.377 6.510 -18.876 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.171 5.068 -18.419 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.297 3.792 -18.837 1.00 0.00 H new TER 1389 GLY A 87