USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0449 (180deg=-0.295) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= -0.282 (180deg=-1.13!) USER MOD Single : A 4 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0468) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 144:sc= -0.0383 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.0663 (180deg=-0.513) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -0.325 (180deg=-1.38!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0893 F(o=-0.59,f=-0.089) USER MOD Single : A 44 SER OG : rot 151:sc= 0.902 USER MOD Single : A 46 SER OG : rot 76:sc= 0.496 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 67 SER OG : rot 72:sc= 1.05 USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0153) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 76 THR OG1 : rot -64:sc= -0.539! USER MOD Single : A 78 GLN : amide:sc= -5.08! C(o=-5.1!,f=-6.6!) USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= 0.409 (180deg=-0.993) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.503 F(o=-3.3!,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 146:sc= 0.948 USER MOD Single : A 93 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.4!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.463 (180deg=-1.02) USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= -0.149 (180deg=-0.958) USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.111 USER MOD Single : A 102 ASN : amide:sc= -0.958 X(o=-0.96,f=-1.1!) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 0.881 (180deg=0.158) USER MOD Single : B 5 TYR OH : rot 3:sc= -4.67! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.304 -2.207 8.933 1.00 0.73 N ATOM 2 CA MET A 1 -6.023 -1.939 9.646 1.00 0.31 C ATOM 3 C MET A 1 -4.861 -2.005 8.653 1.00 0.24 C ATOM 4 O MET A 1 -5.018 -2.433 7.526 1.00 0.21 O ATOM 5 CB MET A 1 -5.815 -2.990 10.738 1.00 0.70 C ATOM 6 CG MET A 1 -6.985 -2.950 11.721 1.00 1.55 C ATOM 7 SD MET A 1 -6.569 -3.920 13.192 1.00 2.25 S ATOM 8 CE MET A 1 -8.263 -4.278 13.717 1.00 2.89 C ATOM 0 H1 MET A 1 -8.034 -1.548 9.271 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.166 -2.076 7.911 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.607 -3.184 9.119 1.00 0.73 H new ATOM 0 HA MET A 1 -6.062 -0.947 10.097 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.736 -3.981 10.292 1.00 0.70 H new ATOM 0 HB3 MET A 1 -4.879 -2.802 11.264 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.204 -1.920 12.001 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.883 -3.350 11.250 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.243 -4.879 14.626 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.789 -3.343 13.912 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.779 -4.828 12.930 1.00 2.89 H new ATOM 20 N VAL A 2 -3.692 -1.588 9.065 1.00 0.24 N ATOM 21 CA VAL A 2 -2.510 -1.626 8.151 1.00 0.19 C ATOM 22 C VAL A 2 -1.728 -2.925 8.387 1.00 0.22 C ATOM 23 O VAL A 2 -1.971 -3.642 9.336 1.00 0.28 O ATOM 24 CB VAL A 2 -1.612 -0.417 8.442 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.473 -0.354 7.420 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.443 0.865 8.351 1.00 0.30 C ATOM 0 H VAL A 2 -3.504 -1.221 9.998 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.841 -1.590 7.113 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.192 -0.516 9.443 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.160 0.507 7.633 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.122 -1.266 7.481 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.889 -0.259 6.417 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.807 1.726 8.557 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.863 0.956 7.349 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.251 0.827 9.081 1.00 0.30 H new ATOM 36 N LYS A 3 -0.789 -3.231 7.531 1.00 0.18 N ATOM 37 CA LYS A 3 0.015 -4.479 7.701 1.00 0.22 C ATOM 38 C LYS A 3 1.386 -4.250 7.050 1.00 0.16 C ATOM 39 O LYS A 3 1.482 -3.975 5.870 1.00 0.13 O ATOM 40 CB LYS A 3 -0.707 -5.655 7.012 1.00 0.26 C ATOM 41 CG LYS A 3 -0.253 -6.993 7.614 1.00 0.34 C ATOM 42 CD LYS A 3 1.269 -7.130 7.530 1.00 0.81 C ATOM 43 CE LYS A 3 1.663 -8.598 7.720 1.00 1.37 C ATOM 44 NZ LYS A 3 1.087 -9.415 6.615 1.00 1.97 N ATOM 0 H LYS A 3 -0.543 -2.668 6.717 1.00 0.18 H new ATOM 0 HA LYS A 3 0.136 -4.717 8.758 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.785 -5.545 7.127 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.498 -5.641 5.942 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.573 -7.058 8.654 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.728 -7.817 7.082 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.624 -6.769 6.565 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.743 -6.514 8.294 1.00 0.81 H new ATOM 0 HE2 LYS A 3 2.749 -8.696 7.731 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.301 -8.961 8.682 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.688 -10.248 6.449 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.129 -9.726 6.876 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.041 -8.843 5.748 1.00 1.97 H new ATOM 58 N GLN A 4 2.446 -4.342 7.807 1.00 0.18 N ATOM 59 CA GLN A 4 3.804 -4.108 7.230 1.00 0.15 C ATOM 60 C GLN A 4 4.364 -5.409 6.637 1.00 0.13 C ATOM 61 O GLN A 4 4.170 -6.487 7.164 1.00 0.14 O ATOM 62 CB GLN A 4 4.740 -3.601 8.342 1.00 0.20 C ATOM 63 CG GLN A 4 6.211 -3.735 7.912 1.00 0.21 C ATOM 64 CD GLN A 4 7.093 -2.864 8.808 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.621 -2.278 9.762 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.364 -2.753 8.535 1.00 0.98 N ATOM 0 H GLN A 4 2.432 -4.569 8.801 1.00 0.18 H new ATOM 0 HA GLN A 4 3.734 -3.366 6.435 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.515 -2.559 8.568 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.569 -4.169 9.256 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.526 -4.777 7.978 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.324 -3.433 6.871 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.758 -3.246 7.734 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.963 -2.174 9.123 1.00 0.98 H new ATOM 75 N ILE A 5 5.084 -5.292 5.551 1.00 0.10 N ATOM 76 CA ILE A 5 5.710 -6.482 4.897 1.00 0.10 C ATOM 77 C ILE A 5 7.224 -6.376 5.080 1.00 0.10 C ATOM 78 O ILE A 5 7.870 -5.542 4.477 1.00 0.11 O ATOM 79 CB ILE A 5 5.388 -6.473 3.396 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.925 -6.040 3.148 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.639 -7.857 2.796 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.925 -6.999 3.815 1.00 0.19 C ATOM 0 H ILE A 5 5.268 -4.406 5.081 1.00 0.10 H new ATOM 0 HA ILE A 5 5.328 -7.401 5.341 1.00 0.10 H new ATOM 0 HB ILE A 5 6.044 -5.751 2.909 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.774 -5.032 3.533 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.734 -6.003 2.076 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.407 -7.839 1.731 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.685 -8.130 2.935 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.004 -8.590 3.293 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.908 -6.660 3.617 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.058 -8.002 3.410 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.099 -7.016 4.891 1.00 0.19 H new ATOM 94 N GLU A 6 7.799 -7.204 5.907 1.00 0.11 N ATOM 95 CA GLU A 6 9.274 -7.139 6.131 1.00 0.14 C ATOM 96 C GLU A 6 9.965 -8.223 5.300 1.00 0.14 C ATOM 97 O GLU A 6 11.170 -8.219 5.139 1.00 0.17 O ATOM 98 CB GLU A 6 9.559 -7.375 7.610 1.00 0.18 C ATOM 99 CG GLU A 6 8.640 -6.495 8.458 1.00 0.31 C ATOM 100 CD GLU A 6 9.033 -6.617 9.932 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.527 -7.512 10.588 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.837 -5.814 10.378 1.00 1.97 O ATOM 0 H GLU A 6 7.312 -7.925 6.439 1.00 0.11 H new ATOM 0 HA GLU A 6 9.651 -6.161 5.832 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.403 -8.425 7.857 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.602 -7.147 7.830 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.715 -5.456 8.136 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.602 -6.797 8.321 1.00 0.31 H new ATOM 109 N SER A 7 9.213 -9.149 4.766 1.00 0.13 N ATOM 110 CA SER A 7 9.831 -10.229 3.940 1.00 0.15 C ATOM 111 C SER A 7 8.807 -10.756 2.934 1.00 0.14 C ATOM 112 O SER A 7 7.612 -10.667 3.140 1.00 0.12 O ATOM 113 CB SER A 7 10.288 -11.367 4.849 1.00 0.20 C ATOM 114 OG SER A 7 9.219 -11.741 5.709 1.00 0.23 O ATOM 0 H SER A 7 8.199 -9.205 4.865 1.00 0.13 H new ATOM 0 HA SER A 7 10.690 -9.827 3.403 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.604 -12.221 4.250 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.150 -11.054 5.437 1.00 0.20 H new ATOM 0 HG SER A 7 9.509 -12.473 6.293 1.00 0.23 H new ATOM 120 N LYS A 8 9.268 -11.307 1.846 1.00 0.15 N ATOM 121 CA LYS A 8 8.332 -11.844 0.821 1.00 0.14 C ATOM 122 C LYS A 8 7.323 -12.781 1.493 1.00 0.14 C ATOM 123 O LYS A 8 6.259 -13.045 0.970 1.00 0.13 O ATOM 124 CB LYS A 8 9.132 -12.620 -0.229 1.00 0.17 C ATOM 125 CG LYS A 8 8.268 -12.871 -1.465 1.00 0.21 C ATOM 126 CD LYS A 8 9.108 -13.565 -2.543 1.00 0.22 C ATOM 127 CE LYS A 8 8.209 -14.010 -3.699 1.00 1.06 C ATOM 128 NZ LYS A 8 7.487 -15.257 -3.317 1.00 1.90 N ATOM 0 H LYS A 8 10.258 -11.409 1.622 1.00 0.15 H new ATOM 0 HA LYS A 8 7.798 -11.023 0.342 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.024 -12.058 -0.507 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.470 -13.569 0.187 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.410 -13.490 -1.203 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.876 -11.928 -1.845 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.877 -12.886 -2.910 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.621 -14.427 -2.117 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.494 -13.223 -3.941 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.808 -14.183 -4.593 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.997 -15.643 -4.149 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.168 -15.957 -2.961 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.792 -15.042 -2.574 1.00 1.90 H new ATOM 142 N THR A 9 7.658 -13.292 2.648 1.00 0.16 N ATOM 143 CA THR A 9 6.733 -14.221 3.362 1.00 0.18 C ATOM 144 C THR A 9 5.417 -13.512 3.698 1.00 0.16 C ATOM 145 O THR A 9 4.344 -13.994 3.393 1.00 0.17 O ATOM 146 CB THR A 9 7.394 -14.692 4.651 1.00 0.21 C ATOM 147 OG1 THR A 9 8.687 -15.204 4.362 1.00 0.24 O ATOM 148 CG2 THR A 9 6.541 -15.782 5.302 1.00 0.25 C ATOM 0 H THR A 9 8.537 -13.105 3.130 1.00 0.16 H new ATOM 0 HA THR A 9 6.519 -15.073 2.717 1.00 0.18 H new ATOM 0 HB THR A 9 7.484 -13.851 5.338 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.113 -15.505 5.192 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.018 -16.116 6.224 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.552 -15.383 5.529 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.444 -16.625 4.618 1.00 0.25 H new ATOM 156 N ALA A 10 5.493 -12.380 4.339 1.00 0.16 N ATOM 157 CA ALA A 10 4.251 -11.642 4.716 1.00 0.17 C ATOM 158 C ALA A 10 3.571 -11.075 3.467 1.00 0.15 C ATOM 159 O ALA A 10 2.398 -10.762 3.480 1.00 0.17 O ATOM 160 CB ALA A 10 4.611 -10.501 5.670 1.00 0.20 C ATOM 0 H ALA A 10 6.364 -11.931 4.620 1.00 0.16 H new ATOM 0 HA ALA A 10 3.562 -12.329 5.208 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.707 -9.960 5.948 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.079 -10.910 6.566 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.305 -9.820 5.177 1.00 0.20 H new ATOM 166 N PHE A 11 4.294 -10.931 2.391 1.00 0.12 N ATOM 167 CA PHE A 11 3.679 -10.373 1.151 1.00 0.11 C ATOM 168 C PHE A 11 2.512 -11.252 0.699 1.00 0.13 C ATOM 169 O PHE A 11 1.373 -10.829 0.689 1.00 0.16 O ATOM 170 CB PHE A 11 4.724 -10.315 0.035 1.00 0.10 C ATOM 171 CG PHE A 11 4.082 -9.782 -1.227 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.680 -8.433 -1.294 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.895 -10.627 -2.339 1.00 0.14 C ATOM 174 CE1 PHE A 11 3.089 -7.930 -2.468 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.302 -10.124 -3.514 1.00 0.18 C ATOM 176 CZ PHE A 11 2.899 -8.776 -3.579 1.00 0.21 C ATOM 0 H PHE A 11 5.282 -11.174 2.315 1.00 0.12 H new ATOM 0 HA PHE A 11 3.313 -9.369 1.365 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.554 -9.675 0.332 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.136 -11.308 -0.145 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.826 -7.784 -0.443 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.206 -11.660 -2.291 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.781 -6.896 -2.518 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.156 -10.772 -4.365 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.445 -8.391 -4.480 1.00 0.21 H new ATOM 186 N GLN A 12 2.786 -12.465 0.314 1.00 0.15 N ATOM 187 CA GLN A 12 1.689 -13.360 -0.151 1.00 0.19 C ATOM 188 C GLN A 12 0.637 -13.498 0.950 1.00 0.17 C ATOM 189 O GLN A 12 -0.550 -13.423 0.700 1.00 0.16 O ATOM 190 CB GLN A 12 2.261 -14.739 -0.484 1.00 0.24 C ATOM 191 CG GLN A 12 3.226 -14.620 -1.664 1.00 1.21 C ATOM 192 CD GLN A 12 3.624 -16.019 -2.140 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.694 -16.271 -3.326 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.890 -16.944 -1.259 1.00 2.47 N ATOM 0 H GLN A 12 3.719 -12.876 0.300 1.00 0.15 H new ATOM 0 HA GLN A 12 1.228 -12.932 -1.041 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.779 -15.149 0.383 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.454 -15.430 -0.729 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.756 -14.067 -2.478 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.112 -14.059 -1.368 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.831 -16.732 -0.263 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.157 -17.879 -1.566 1.00 2.47 H new ATOM 203 N GLU A 13 1.059 -13.705 2.164 1.00 0.19 N ATOM 204 CA GLU A 13 0.083 -13.854 3.275 1.00 0.20 C ATOM 205 C GLU A 13 -0.783 -12.596 3.383 1.00 0.18 C ATOM 206 O GLU A 13 -1.947 -12.668 3.717 1.00 0.19 O ATOM 207 CB GLU A 13 0.843 -14.075 4.588 1.00 0.25 C ATOM 208 CG GLU A 13 1.296 -15.534 4.698 1.00 0.30 C ATOM 209 CD GLU A 13 0.116 -16.412 5.118 1.00 1.29 C ATOM 210 OE1 GLU A 13 -1.004 -15.933 5.063 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.354 -17.550 5.492 1.00 2.10 O ATOM 0 H GLU A 13 2.040 -13.778 2.435 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.563 -14.710 3.078 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.708 -13.414 4.631 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.204 -13.820 5.434 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.692 -15.875 3.741 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.103 -15.620 5.426 1.00 0.30 H new ATOM 218 N ALA A 14 -0.234 -11.444 3.109 1.00 0.18 N ATOM 219 CA ALA A 14 -1.053 -10.202 3.205 1.00 0.18 C ATOM 220 C ALA A 14 -2.218 -10.284 2.211 1.00 0.18 C ATOM 221 O ALA A 14 -3.359 -10.037 2.550 1.00 0.19 O ATOM 222 CB ALA A 14 -0.181 -8.992 2.876 1.00 0.20 C ATOM 0 H ALA A 14 0.736 -11.309 2.826 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.446 -10.099 4.216 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.779 -8.083 2.946 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.647 -8.937 3.583 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.212 -9.091 1.864 1.00 0.20 H new ATOM 228 N LEU A 15 -1.937 -10.639 0.984 1.00 0.17 N ATOM 229 CA LEU A 15 -3.020 -10.748 -0.043 1.00 0.18 C ATOM 230 C LEU A 15 -3.986 -11.872 0.351 1.00 0.18 C ATOM 231 O LEU A 15 -5.190 -11.715 0.302 1.00 0.18 O ATOM 232 CB LEU A 15 -2.401 -11.062 -1.411 1.00 0.19 C ATOM 233 CG LEU A 15 -1.107 -10.264 -1.592 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.584 -10.465 -3.016 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.386 -8.777 -1.361 1.00 0.62 C ATOM 0 H LEU A 15 -1.000 -10.859 0.646 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.563 -9.804 -0.099 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.195 -12.129 -1.490 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.106 -10.814 -2.205 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.363 -10.610 -0.874 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.337 -9.898 -3.149 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.386 -11.524 -3.185 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.330 -10.117 -3.730 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.464 -8.210 -1.490 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.129 -8.430 -2.079 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.764 -8.631 -0.349 1.00 0.62 H new ATOM 247 N ASP A 16 -3.467 -13.006 0.737 1.00 0.19 N ATOM 248 CA ASP A 16 -4.356 -14.137 1.127 1.00 0.21 C ATOM 249 C ASP A 16 -5.167 -13.745 2.363 1.00 0.20 C ATOM 250 O ASP A 16 -6.325 -14.091 2.494 1.00 0.20 O ATOM 251 CB ASP A 16 -3.503 -15.370 1.442 1.00 0.24 C ATOM 252 CG ASP A 16 -4.415 -16.578 1.665 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.468 -16.399 2.253 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.043 -17.660 1.243 1.00 1.09 O ATOM 0 H ASP A 16 -2.467 -13.198 0.799 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.036 -14.366 0.306 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.814 -15.568 0.621 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.897 -15.189 2.330 1.00 0.24 H new ATOM 259 N ALA A 17 -4.569 -13.024 3.270 1.00 0.22 N ATOM 260 CA ALA A 17 -5.302 -12.607 4.497 1.00 0.24 C ATOM 261 C ALA A 17 -6.172 -11.388 4.182 1.00 0.21 C ATOM 262 O ALA A 17 -7.079 -11.055 4.920 1.00 0.22 O ATOM 263 CB ALA A 17 -4.296 -12.245 5.593 1.00 0.30 C ATOM 0 H ALA A 17 -3.602 -12.705 3.214 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.934 -13.426 4.839 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.831 -11.939 6.492 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.675 -13.112 5.818 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.664 -11.425 5.251 1.00 0.30 H new ATOM 269 N ALA A 18 -5.905 -10.720 3.093 1.00 0.21 N ATOM 270 CA ALA A 18 -6.717 -9.523 2.737 1.00 0.22 C ATOM 271 C ALA A 18 -8.135 -9.960 2.362 1.00 0.21 C ATOM 272 O ALA A 18 -9.011 -9.144 2.155 1.00 0.24 O ATOM 273 CB ALA A 18 -6.072 -8.799 1.554 1.00 0.23 C ATOM 0 H ALA A 18 -5.160 -10.951 2.435 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.761 -8.848 3.592 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.667 -7.924 1.295 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.064 -8.485 1.825 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.024 -9.472 0.698 1.00 0.23 H new ATOM 279 N GLY A 19 -8.369 -11.241 2.275 1.00 0.22 N ATOM 280 CA GLY A 19 -9.732 -11.728 1.917 1.00 0.24 C ATOM 281 C GLY A 19 -10.044 -11.368 0.464 1.00 0.20 C ATOM 282 O GLY A 19 -9.464 -11.907 -0.457 1.00 0.28 O ATOM 0 H GLY A 19 -7.676 -11.971 2.436 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.790 -12.808 2.055 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.474 -11.282 2.579 1.00 0.24 H new ATOM 286 N ASP A 20 -10.964 -10.461 0.253 1.00 0.13 N ATOM 287 CA ASP A 20 -11.330 -10.057 -1.141 1.00 0.18 C ATOM 288 C ASP A 20 -11.502 -8.536 -1.200 1.00 0.15 C ATOM 289 O ASP A 20 -11.856 -7.984 -2.225 1.00 0.22 O ATOM 290 CB ASP A 20 -12.646 -10.737 -1.533 1.00 0.26 C ATOM 291 CG ASP A 20 -13.111 -10.218 -2.895 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.260 -9.959 -3.730 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.310 -10.093 -3.081 1.00 2.21 O ATOM 0 H ASP A 20 -11.481 -9.980 0.989 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.543 -10.360 -1.831 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.510 -11.818 -1.572 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.407 -10.539 -0.779 1.00 0.26 H new ATOM 298 N LYS A 21 -11.247 -7.851 -0.116 1.00 0.12 N ATOM 299 CA LYS A 21 -11.388 -6.369 -0.125 1.00 0.19 C ATOM 300 C LYS A 21 -10.274 -5.772 -0.976 1.00 0.15 C ATOM 301 O LYS A 21 -9.339 -6.447 -1.357 1.00 0.15 O ATOM 302 CB LYS A 21 -11.280 -5.838 1.304 1.00 0.27 C ATOM 303 CG LYS A 21 -12.601 -6.072 2.036 1.00 0.29 C ATOM 304 CD LYS A 21 -12.392 -5.846 3.531 1.00 0.30 C ATOM 305 CE LYS A 21 -13.748 -5.800 4.235 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.552 -5.953 5.705 1.00 1.90 N ATOM 0 H LYS A 21 -10.948 -8.254 0.772 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.358 -6.092 -0.539 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.467 -6.340 1.829 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.043 -4.774 1.291 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.366 -5.394 1.657 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.956 -7.087 1.855 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.781 -6.646 3.948 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.853 -4.913 3.697 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.249 -4.856 4.021 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.392 -6.595 3.859 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.475 -5.922 6.183 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.091 -6.865 5.901 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.953 -5.180 6.058 1.00 1.90 H new ATOM 320 N LEU A 22 -10.362 -4.510 -1.278 1.00 0.13 N ATOM 321 CA LEU A 22 -9.307 -3.883 -2.102 1.00 0.11 C ATOM 322 C LEU A 22 -7.987 -3.952 -1.318 1.00 0.10 C ATOM 323 O LEU A 22 -7.982 -4.151 -0.119 1.00 0.11 O ATOM 324 CB LEU A 22 -9.710 -2.414 -2.382 1.00 0.12 C ATOM 325 CG LEU A 22 -9.643 -2.061 -3.879 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.914 -0.557 -4.034 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.254 -2.386 -4.461 1.00 0.11 C ATOM 0 H LEU A 22 -11.118 -3.890 -0.989 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.183 -4.398 -3.055 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.722 -2.242 -2.016 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.052 -1.747 -1.825 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.386 -2.649 -4.417 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.871 -0.286 -5.089 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.903 -0.323 -3.639 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.161 0.007 -3.484 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.233 -2.127 -5.520 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.494 -1.811 -3.932 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -8.050 -3.450 -4.344 1.00 0.11 H new ATOM 339 N VAL A 23 -6.867 -3.784 -1.975 1.00 0.08 N ATOM 340 CA VAL A 23 -5.561 -3.836 -1.250 1.00 0.09 C ATOM 341 C VAL A 23 -4.591 -2.827 -1.866 1.00 0.08 C ATOM 342 O VAL A 23 -4.033 -3.055 -2.920 1.00 0.09 O ATOM 343 CB VAL A 23 -4.968 -5.242 -1.359 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.788 -5.372 -0.395 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.037 -6.275 -0.997 1.00 0.10 C ATOM 0 H VAL A 23 -6.800 -3.614 -2.978 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.723 -3.590 -0.200 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.626 -5.415 -2.379 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.364 -6.373 -0.471 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.026 -4.635 -0.651 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.131 -5.200 0.625 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.615 -7.277 -1.074 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.379 -6.103 0.024 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.880 -6.182 -1.682 1.00 0.10 H new ATOM 355 N VAL A 24 -4.378 -1.714 -1.206 1.00 0.08 N ATOM 356 CA VAL A 24 -3.432 -0.683 -1.735 1.00 0.08 C ATOM 357 C VAL A 24 -2.116 -0.788 -0.963 1.00 0.08 C ATOM 358 O VAL A 24 -2.098 -0.821 0.252 1.00 0.08 O ATOM 359 CB VAL A 24 -4.037 0.712 -1.554 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.313 1.712 -2.461 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.521 0.678 -1.918 1.00 0.09 C ATOM 0 H VAL A 24 -4.821 -1.475 -0.319 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.250 -0.849 -2.797 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.924 1.019 -0.514 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.747 2.703 -2.329 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.255 1.741 -2.199 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.421 1.404 -3.501 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.950 1.672 -1.789 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.634 0.366 -2.956 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.039 -0.028 -1.269 1.00 0.09 H new ATOM 371 N VAL A 25 -1.015 -0.856 -1.664 1.00 0.09 N ATOM 372 CA VAL A 25 0.319 -0.977 -0.995 1.00 0.09 C ATOM 373 C VAL A 25 1.080 0.337 -1.133 1.00 0.10 C ATOM 374 O VAL A 25 1.037 0.982 -2.159 1.00 0.17 O ATOM 375 CB VAL A 25 1.122 -2.086 -1.681 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.261 -2.545 -0.769 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.198 -3.265 -1.984 1.00 0.09 C ATOM 0 H VAL A 25 -0.980 -0.833 -2.683 1.00 0.09 H new ATOM 0 HA VAL A 25 0.177 -1.211 0.060 1.00 0.09 H new ATOM 0 HB VAL A 25 1.544 -1.704 -2.611 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.828 -3.334 -1.264 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.920 -1.703 -0.558 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.848 -2.926 0.165 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.766 -4.057 -2.472 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.226 -3.644 -1.054 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.607 -2.937 -2.642 1.00 0.09 H new ATOM 387 N ASP A 26 1.786 0.725 -0.107 1.00 0.08 N ATOM 388 CA ASP A 26 2.576 1.990 -0.156 1.00 0.08 C ATOM 389 C ASP A 26 4.063 1.646 -0.162 1.00 0.08 C ATOM 390 O ASP A 26 4.653 1.384 0.869 1.00 0.09 O ATOM 391 CB ASP A 26 2.254 2.833 1.080 1.00 0.09 C ATOM 392 CG ASP A 26 3.154 4.070 1.105 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.883 4.989 0.350 1.00 0.96 O ATOM 394 OD2 ASP A 26 4.097 4.075 1.877 1.00 0.93 O ATOM 0 H ASP A 26 1.851 0.214 0.774 1.00 0.08 H new ATOM 0 HA ASP A 26 2.324 2.552 -1.056 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.206 3.133 1.065 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.404 2.243 1.984 1.00 0.09 H new ATOM 399 N PHE A 27 4.682 1.651 -1.309 1.00 0.08 N ATOM 400 CA PHE A 27 6.134 1.333 -1.369 1.00 0.09 C ATOM 401 C PHE A 27 6.900 2.618 -1.082 1.00 0.11 C ATOM 402 O PHE A 27 7.346 3.303 -1.982 1.00 0.13 O ATOM 403 CB PHE A 27 6.495 0.855 -2.771 1.00 0.10 C ATOM 404 CG PHE A 27 6.067 -0.580 -2.974 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.742 -0.883 -3.348 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.003 -1.616 -2.800 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.356 -2.225 -3.547 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.618 -2.957 -2.999 1.00 0.21 C ATOM 409 CZ PHE A 27 5.294 -3.261 -3.372 1.00 0.23 C ATOM 0 H PHE A 27 4.245 1.861 -2.206 1.00 0.08 H new ATOM 0 HA PHE A 27 6.381 0.555 -0.647 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.013 1.492 -3.513 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.570 0.944 -2.925 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.023 -0.088 -3.482 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.018 -1.383 -2.514 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.341 -2.458 -3.834 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.338 -3.751 -2.866 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.998 -4.289 -3.524 1.00 0.23 H new ATOM 419 N SER A 28 7.038 2.953 0.168 1.00 0.11 N ATOM 420 CA SER A 28 7.757 4.203 0.549 1.00 0.12 C ATOM 421 C SER A 28 9.082 3.837 1.205 1.00 0.10 C ATOM 422 O SER A 28 9.554 2.722 1.106 1.00 0.11 O ATOM 423 CB SER A 28 6.896 4.981 1.547 1.00 0.17 C ATOM 424 OG SER A 28 5.785 5.549 0.865 1.00 1.03 O ATOM 0 H SER A 28 6.680 2.409 0.953 1.00 0.11 H new ATOM 0 HA SER A 28 7.944 4.812 -0.335 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.550 4.319 2.341 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.487 5.765 2.021 1.00 0.17 H new ATOM 0 HG SER A 28 4.997 5.524 1.446 1.00 1.03 H new ATOM 430 N ALA A 29 9.679 4.773 1.880 1.00 0.10 N ATOM 431 CA ALA A 29 10.977 4.507 2.567 1.00 0.15 C ATOM 432 C ALA A 29 10.956 5.223 3.920 1.00 0.18 C ATOM 433 O ALA A 29 10.801 6.425 3.999 1.00 0.26 O ATOM 434 CB ALA A 29 12.126 5.033 1.698 1.00 0.19 C ATOM 0 H ALA A 29 9.323 5.723 1.989 1.00 0.10 H new ATOM 0 HA ALA A 29 11.122 3.438 2.722 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.076 4.841 2.196 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.113 4.527 0.733 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.006 6.106 1.547 1.00 0.19 H new ATOM 440 N THR A 30 11.086 4.482 4.985 1.00 0.18 N ATOM 441 CA THR A 30 11.045 5.103 6.342 1.00 0.23 C ATOM 442 C THR A 30 12.214 6.076 6.524 1.00 0.26 C ATOM 443 O THR A 30 12.154 6.981 7.332 1.00 0.31 O ATOM 444 CB THR A 30 11.127 4.001 7.402 1.00 0.26 C ATOM 445 OG1 THR A 30 10.989 4.579 8.693 1.00 0.32 O ATOM 446 CG2 THR A 30 12.476 3.290 7.301 1.00 0.28 C ATOM 0 H THR A 30 11.219 3.471 4.976 1.00 0.18 H new ATOM 0 HA THR A 30 10.112 5.656 6.450 1.00 0.23 H new ATOM 0 HB THR A 30 10.327 3.279 7.238 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.040 3.876 9.373 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.532 2.506 8.056 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.581 2.847 6.310 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.279 4.009 7.464 1.00 0.28 H new ATOM 454 N TRP A 31 13.279 5.900 5.790 1.00 0.26 N ATOM 455 CA TRP A 31 14.450 6.819 5.937 1.00 0.32 C ATOM 456 C TRP A 31 14.306 8.012 4.987 1.00 0.32 C ATOM 457 O TRP A 31 14.998 9.003 5.108 1.00 0.36 O ATOM 458 CB TRP A 31 15.736 6.054 5.606 1.00 0.34 C ATOM 459 CG TRP A 31 15.815 5.791 4.136 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.393 4.662 3.522 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.340 6.657 3.092 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.633 4.775 2.164 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.210 5.990 1.846 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.911 7.952 3.104 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.637 6.583 0.648 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.341 8.553 1.903 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.202 7.872 0.676 1.00 0.40 C ATOM 0 H TRP A 31 13.391 5.162 5.095 1.00 0.26 H new ATOM 0 HA TRP A 31 14.491 7.186 6.962 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.604 6.630 5.927 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.759 5.112 6.153 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.942 3.811 4.012 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.411 4.050 1.481 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.018 8.483 4.038 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.533 6.055 -0.288 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.779 9.540 1.923 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.529 8.339 -0.241 1.00 0.40 H new ATOM 478 N CYS A 32 13.423 7.918 4.031 1.00 0.28 N ATOM 479 CA CYS A 32 13.246 9.033 3.058 1.00 0.30 C ATOM 480 C CYS A 32 12.124 9.962 3.535 1.00 0.31 C ATOM 481 O CYS A 32 11.066 9.526 3.943 1.00 0.29 O ATOM 482 CB CYS A 32 12.906 8.435 1.689 1.00 0.28 C ATOM 483 SG CYS A 32 13.443 9.564 0.377 1.00 0.32 S ATOM 0 H CYS A 32 12.814 7.114 3.881 1.00 0.28 H new ATOM 0 HA CYS A 32 14.163 9.617 2.981 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.395 7.468 1.572 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.833 8.260 1.614 1.00 0.28 H new ATOM 488 N GLY A 33 12.365 11.243 3.495 1.00 0.34 N ATOM 489 CA GLY A 33 11.345 12.228 3.951 1.00 0.36 C ATOM 490 C GLY A 33 10.185 12.337 2.948 1.00 0.35 C ATOM 491 O GLY A 33 9.052 12.140 3.321 1.00 0.33 O ATOM 0 H GLY A 33 13.237 11.654 3.161 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.959 11.930 4.926 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.811 13.205 4.078 1.00 0.36 H new ATOM 495 N PRO A 34 10.485 12.674 1.711 1.00 0.37 N ATOM 496 CA PRO A 34 9.443 12.842 0.675 1.00 0.38 C ATOM 497 C PRO A 34 8.483 11.644 0.646 1.00 0.35 C ATOM 498 O PRO A 34 7.295 11.801 0.437 1.00 0.36 O ATOM 499 CB PRO A 34 10.233 12.981 -0.649 1.00 0.42 C ATOM 500 CG PRO A 34 11.713 13.263 -0.260 1.00 0.44 C ATOM 501 CD PRO A 34 11.865 12.914 1.238 1.00 0.40 C ATOM 0 HA PRO A 34 8.808 13.708 0.862 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.156 12.070 -1.243 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.831 13.792 -1.256 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.391 12.662 -0.866 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.966 14.308 -0.439 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.490 12.032 1.377 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.336 13.729 1.788 1.00 0.40 H new ATOM 509 N ALA A 35 8.973 10.457 0.851 1.00 0.33 N ATOM 510 CA ALA A 35 8.067 9.277 0.827 1.00 0.32 C ATOM 511 C ALA A 35 7.273 9.229 2.136 1.00 0.39 C ATOM 512 O ALA A 35 6.064 9.335 2.146 1.00 0.81 O ATOM 513 CB ALA A 35 8.897 7.999 0.672 1.00 0.36 C ATOM 0 H ALA A 35 9.955 10.252 1.033 1.00 0.33 H new ATOM 0 HA ALA A 35 7.377 9.356 -0.013 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.234 7.134 0.654 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.461 8.042 -0.259 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.587 7.910 1.511 1.00 0.36 H new ATOM 519 N LYS A 36 7.951 9.076 3.239 1.00 0.30 N ATOM 520 CA LYS A 36 7.252 9.028 4.556 1.00 0.28 C ATOM 521 C LYS A 36 6.466 10.327 4.771 1.00 0.24 C ATOM 522 O LYS A 36 5.555 10.388 5.574 1.00 0.25 O ATOM 523 CB LYS A 36 8.303 8.867 5.662 1.00 0.35 C ATOM 524 CG LYS A 36 7.658 9.075 7.036 1.00 0.38 C ATOM 525 CD LYS A 36 8.588 8.532 8.124 1.00 0.49 C ATOM 526 CE LYS A 36 8.057 8.936 9.502 1.00 1.22 C ATOM 527 NZ LYS A 36 8.198 10.408 9.677 1.00 1.92 N ATOM 0 H LYS A 36 8.966 8.981 3.286 1.00 0.30 H new ATOM 0 HA LYS A 36 6.557 8.189 4.580 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.750 7.874 5.608 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.108 9.587 5.517 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.466 10.135 7.203 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.695 8.566 7.078 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.653 7.446 8.052 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.596 8.922 7.983 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.011 8.646 9.600 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.607 8.412 10.283 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.201 10.638 10.691 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.091 10.725 9.248 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.401 10.890 9.214 1.00 1.92 H new ATOM 541 N MET A 37 6.817 11.364 4.065 1.00 0.23 N ATOM 542 CA MET A 37 6.102 12.665 4.229 1.00 0.24 C ATOM 543 C MET A 37 4.622 12.487 3.880 1.00 0.20 C ATOM 544 O MET A 37 3.795 13.308 4.225 1.00 0.20 O ATOM 545 CB MET A 37 6.744 13.715 3.306 1.00 0.29 C ATOM 546 CG MET A 37 5.855 14.963 3.202 1.00 1.31 C ATOM 547 SD MET A 37 5.392 15.528 4.859 1.00 2.12 S ATOM 548 CE MET A 37 5.282 17.294 4.474 1.00 3.13 C ATOM 0 H MET A 37 7.571 11.369 3.378 1.00 0.23 H new ATOM 0 HA MET A 37 6.180 13.001 5.263 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.725 13.993 3.690 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.899 13.289 2.315 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.385 15.755 2.673 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.960 14.736 2.622 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.003 17.845 5.372 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.248 17.649 4.116 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.528 17.452 3.702 1.00 3.13 H new ATOM 558 N ILE A 38 4.283 11.432 3.180 1.00 0.18 N ATOM 559 CA ILE A 38 2.854 11.209 2.783 1.00 0.15 C ATOM 560 C ILE A 38 2.194 10.186 3.714 1.00 0.16 C ATOM 561 O ILE A 38 1.102 9.722 3.462 1.00 0.16 O ATOM 562 CB ILE A 38 2.812 10.686 1.344 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.888 11.398 0.519 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.435 10.969 0.725 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.754 11.005 -0.957 1.00 0.28 C ATOM 0 H ILE A 38 4.934 10.713 2.865 1.00 0.18 H new ATOM 0 HA ILE A 38 2.312 12.152 2.857 1.00 0.15 H new ATOM 0 HB ILE A 38 2.993 9.611 1.346 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.788 12.478 0.628 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.878 11.131 0.888 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.412 10.594 -0.298 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.663 10.470 1.311 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.251 12.043 0.722 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.521 11.514 -1.540 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.876 9.927 -1.059 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.769 11.295 -1.323 1.00 0.28 H new ATOM 577 N LYS A 39 2.831 9.827 4.795 1.00 0.19 N ATOM 578 CA LYS A 39 2.187 8.839 5.697 1.00 0.22 C ATOM 579 C LYS A 39 0.910 9.399 6.369 1.00 0.20 C ATOM 580 O LYS A 39 0.016 8.635 6.648 1.00 0.21 O ATOM 581 CB LYS A 39 3.182 8.282 6.755 1.00 0.31 C ATOM 582 CG LYS A 39 3.387 9.230 7.965 1.00 0.34 C ATOM 583 CD LYS A 39 3.910 8.437 9.173 1.00 0.45 C ATOM 584 CE LYS A 39 2.848 7.442 9.693 1.00 1.16 C ATOM 585 NZ LYS A 39 3.208 6.065 9.251 1.00 1.62 N ATOM 0 H LYS A 39 3.748 10.167 5.086 1.00 0.19 H new ATOM 0 HA LYS A 39 1.878 8.006 5.066 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.818 7.319 7.114 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.145 8.101 6.278 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.093 10.018 7.704 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.446 9.717 8.219 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.813 7.895 8.892 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.188 9.126 9.971 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.794 7.485 10.781 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.863 7.712 9.314 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.364 5.591 8.871 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.938 6.117 8.512 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.573 5.525 10.061 1.00 1.62 H new ATOM 599 N PRO A 40 0.829 10.690 6.660 1.00 0.20 N ATOM 600 CA PRO A 40 -0.363 11.208 7.347 1.00 0.21 C ATOM 601 C PRO A 40 -1.604 11.017 6.473 1.00 0.17 C ATOM 602 O PRO A 40 -2.711 11.291 6.889 1.00 0.20 O ATOM 603 CB PRO A 40 -0.058 12.697 7.620 1.00 0.24 C ATOM 604 CG PRO A 40 1.390 12.973 7.121 1.00 0.25 C ATOM 605 CD PRO A 40 1.844 11.724 6.340 1.00 0.21 C ATOM 0 HA PRO A 40 -0.576 10.682 8.278 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.772 13.337 7.101 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.146 12.918 8.684 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.416 13.857 6.484 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.057 13.166 7.961 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.885 11.920 5.269 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.842 11.407 6.645 1.00 0.21 H new ATOM 613 N PHE A 41 -1.425 10.547 5.267 1.00 0.14 N ATOM 614 CA PHE A 41 -2.587 10.325 4.354 1.00 0.14 C ATOM 615 C PHE A 41 -2.799 8.822 4.178 1.00 0.11 C ATOM 616 O PHE A 41 -3.684 8.243 4.767 1.00 0.13 O ATOM 617 CB PHE A 41 -2.291 10.965 2.992 1.00 0.15 C ATOM 618 CG PHE A 41 -2.523 12.457 3.067 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.534 13.296 3.619 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.725 13.006 2.584 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.751 14.686 3.690 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.944 14.396 2.653 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.955 15.237 3.206 1.00 0.27 C ATOM 0 H PHE A 41 -0.517 10.305 4.871 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.485 10.776 4.777 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.260 10.762 2.701 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.931 10.526 2.227 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.611 12.874 3.987 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.481 12.361 2.160 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.995 15.330 4.115 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.867 14.817 2.283 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.120 16.303 3.258 1.00 0.27 H new ATOM 633 N PHE A 42 -1.990 8.193 3.371 1.00 0.10 N ATOM 634 CA PHE A 42 -2.139 6.727 3.133 1.00 0.11 C ATOM 635 C PHE A 42 -2.422 5.984 4.443 1.00 0.11 C ATOM 636 O PHE A 42 -3.410 5.288 4.566 1.00 0.12 O ATOM 637 CB PHE A 42 -0.849 6.191 2.514 1.00 0.13 C ATOM 638 CG PHE A 42 -0.958 4.698 2.329 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.695 4.182 1.251 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.315 3.823 3.228 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.793 2.795 1.067 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.415 2.428 3.045 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.154 1.914 1.962 1.00 0.10 C ATOM 0 H PHE A 42 -1.225 8.635 2.861 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.980 6.565 2.459 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.666 6.674 1.554 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.000 6.427 3.156 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.187 4.854 0.563 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.253 4.220 4.056 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.360 2.401 0.237 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.074 1.755 3.734 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.231 0.846 1.818 1.00 0.10 H new ATOM 653 N HIS A 43 -1.569 6.118 5.416 1.00 0.14 N ATOM 654 CA HIS A 43 -1.798 5.408 6.708 1.00 0.16 C ATOM 655 C HIS A 43 -3.057 5.967 7.390 1.00 0.16 C ATOM 656 O HIS A 43 -3.777 5.249 8.057 1.00 0.18 O ATOM 657 CB HIS A 43 -0.542 5.562 7.602 1.00 0.21 C ATOM 658 CG HIS A 43 -0.899 5.488 9.063 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.388 6.435 9.929 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -0.805 4.316 9.793 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.599 5.860 11.179 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.231 4.582 11.041 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.723 6.687 5.376 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.962 4.345 6.533 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.177 4.779 7.361 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.058 6.515 7.391 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.454 3.362 9.428 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.978 6.342 12.068 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.269 3.892 11.791 1.00 0.39 H new ATOM 670 N SER A 44 -3.334 7.229 7.232 1.00 0.20 N ATOM 671 CA SER A 44 -4.548 7.802 7.879 1.00 0.25 C ATOM 672 C SER A 44 -5.811 7.158 7.289 1.00 0.20 C ATOM 673 O SER A 44 -6.757 6.872 7.996 1.00 0.21 O ATOM 674 CB SER A 44 -4.584 9.315 7.656 1.00 0.34 C ATOM 675 OG SER A 44 -3.664 9.937 8.546 1.00 0.97 O ATOM 0 H SER A 44 -2.777 7.887 6.686 1.00 0.20 H new ATOM 0 HA SER A 44 -4.513 7.597 8.949 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.326 9.549 6.623 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.590 9.697 7.828 1.00 0.34 H new ATOM 0 HG SER A 44 -3.326 10.764 8.142 1.00 0.97 H new ATOM 681 N LEU A 45 -5.839 6.931 6.000 1.00 0.18 N ATOM 682 CA LEU A 45 -7.050 6.309 5.379 1.00 0.18 C ATOM 683 C LEU A 45 -7.419 5.030 6.135 1.00 0.16 C ATOM 684 O LEU A 45 -8.514 4.521 6.006 1.00 0.23 O ATOM 685 CB LEU A 45 -6.767 5.954 3.911 1.00 0.19 C ATOM 686 CG LEU A 45 -6.370 7.205 3.114 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.128 6.814 1.655 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.486 8.261 3.187 1.00 0.50 C ATOM 0 H LEU A 45 -5.081 7.148 5.353 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.873 7.021 5.430 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -5.967 5.215 3.859 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.651 5.499 3.465 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.460 7.628 3.541 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.846 7.698 1.083 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.326 6.078 1.604 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.040 6.387 1.237 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.191 9.142 2.618 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.404 7.849 2.768 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.655 8.541 4.227 1.00 0.50 H new ATOM 700 N SER A 46 -6.520 4.503 6.918 1.00 0.20 N ATOM 701 CA SER A 46 -6.834 3.257 7.672 1.00 0.25 C ATOM 702 C SER A 46 -8.076 3.477 8.540 1.00 0.17 C ATOM 703 O SER A 46 -8.817 2.555 8.823 1.00 0.15 O ATOM 704 CB SER A 46 -5.650 2.887 8.566 1.00 0.36 C ATOM 705 OG SER A 46 -4.479 2.766 7.768 1.00 0.51 O ATOM 0 H SER A 46 -5.584 4.879 7.069 1.00 0.20 H new ATOM 0 HA SER A 46 -7.024 2.449 6.965 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.505 3.649 9.332 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.850 1.949 9.084 1.00 0.36 H new ATOM 0 HG SER A 46 -4.153 3.658 7.528 1.00 0.51 H new ATOM 711 N GLU A 47 -8.305 4.689 8.976 1.00 0.21 N ATOM 712 CA GLU A 47 -9.497 4.968 9.839 1.00 0.21 C ATOM 713 C GLU A 47 -10.659 5.482 8.984 1.00 0.18 C ATOM 714 O GLU A 47 -11.806 5.410 9.379 1.00 0.18 O ATOM 715 CB GLU A 47 -9.125 6.030 10.877 1.00 0.32 C ATOM 716 CG GLU A 47 -7.751 5.709 11.464 1.00 0.39 C ATOM 717 CD GLU A 47 -7.509 6.571 12.705 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.240 7.749 12.541 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.594 6.037 13.799 1.00 1.98 O ATOM 0 H GLU A 47 -7.719 5.499 8.773 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.803 4.048 10.337 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.113 7.017 10.415 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.873 6.058 11.669 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.694 4.652 11.726 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.975 5.896 10.722 1.00 0.39 H new ATOM 726 N LYS A 48 -10.379 6.002 7.819 1.00 0.18 N ATOM 727 CA LYS A 48 -11.476 6.521 6.947 1.00 0.17 C ATOM 728 C LYS A 48 -11.973 5.399 6.033 1.00 0.15 C ATOM 729 O LYS A 48 -13.066 5.453 5.505 1.00 0.18 O ATOM 730 CB LYS A 48 -10.947 7.679 6.097 1.00 0.21 C ATOM 731 CG LYS A 48 -12.123 8.421 5.455 1.00 0.26 C ATOM 732 CD LYS A 48 -11.611 9.665 4.715 1.00 1.09 C ATOM 733 CE LYS A 48 -11.048 10.695 5.712 1.00 1.51 C ATOM 734 NZ LYS A 48 -11.222 12.066 5.152 1.00 2.16 N ATOM 0 H LYS A 48 -9.439 6.090 7.432 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.299 6.874 7.568 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.366 8.363 6.716 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.277 7.301 5.325 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.645 7.763 4.761 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.843 8.712 6.220 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.837 9.379 4.003 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.422 10.113 4.140 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -11.563 10.612 6.669 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -9.993 10.497 5.900 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.843 12.765 5.822 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -10.711 12.140 4.249 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.233 12.251 4.994 1.00 2.16 H new ATOM 748 N TYR A 49 -11.176 4.374 5.850 1.00 0.13 N ATOM 749 CA TYR A 49 -11.588 3.228 4.979 1.00 0.13 C ATOM 750 C TYR A 49 -11.269 1.913 5.693 1.00 0.11 C ATOM 751 O TYR A 49 -10.450 1.135 5.246 1.00 0.11 O ATOM 752 CB TYR A 49 -10.823 3.295 3.650 1.00 0.15 C ATOM 753 CG TYR A 49 -11.481 4.299 2.736 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.682 3.963 2.084 1.00 0.19 C ATOM 755 CD2 TYR A 49 -10.901 5.567 2.540 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.305 4.891 1.234 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.524 6.501 1.690 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.727 6.164 1.035 1.00 0.21 C ATOM 759 OH TYR A 49 -13.339 7.077 0.200 1.00 0.24 O ATOM 0 H TYR A 49 -10.251 4.282 6.270 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.658 3.283 4.780 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.786 3.577 3.830 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.809 2.313 3.177 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.125 2.990 2.238 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -9.979 5.823 3.041 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.226 4.631 0.733 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.081 7.474 1.540 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.959 7.967 0.354 1.00 0.24 H new ATOM 769 N SER A 50 -11.913 1.659 6.797 1.00 0.12 N ATOM 770 CA SER A 50 -11.653 0.394 7.535 1.00 0.13 C ATOM 771 C SER A 50 -12.143 -0.785 6.692 1.00 0.13 C ATOM 772 O SER A 50 -11.969 -1.934 7.049 1.00 0.14 O ATOM 773 CB SER A 50 -12.398 0.420 8.870 1.00 0.16 C ATOM 774 OG SER A 50 -13.773 0.693 8.635 1.00 0.17 O ATOM 0 H SER A 50 -12.609 2.274 7.220 1.00 0.12 H new ATOM 0 HA SER A 50 -10.585 0.289 7.724 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.287 -0.537 9.380 1.00 0.16 H new ATOM 0 HB3 SER A 50 -11.971 1.181 9.523 1.00 0.16 H new ATOM 0 HG SER A 50 -14.254 0.709 9.489 1.00 0.17 H new ATOM 780 N ASN A 51 -12.758 -0.504 5.572 1.00 0.13 N ATOM 781 CA ASN A 51 -13.266 -1.596 4.689 1.00 0.15 C ATOM 782 C ASN A 51 -12.227 -1.903 3.612 1.00 0.13 C ATOM 783 O ASN A 51 -12.439 -2.733 2.751 1.00 0.14 O ATOM 784 CB ASN A 51 -14.567 -1.139 4.025 1.00 0.17 C ATOM 785 CG ASN A 51 -15.213 -2.318 3.294 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.871 -3.138 3.903 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.055 -2.438 2.004 1.00 0.32 N ATOM 0 H ASN A 51 -12.931 0.441 5.229 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.450 -2.492 5.281 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.251 -0.745 4.776 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.364 -0.330 3.323 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.484 -3.220 1.508 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.503 -1.750 1.492 1.00 0.32 H new ATOM 794 N VAL A 52 -11.101 -1.234 3.660 1.00 0.11 N ATOM 795 CA VAL A 52 -10.019 -1.466 2.650 1.00 0.10 C ATOM 796 C VAL A 52 -8.763 -1.953 3.365 1.00 0.10 C ATOM 797 O VAL A 52 -8.518 -1.619 4.508 1.00 0.11 O ATOM 798 CB VAL A 52 -9.705 -0.156 1.935 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.568 -0.376 0.935 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.955 0.331 1.202 1.00 0.12 C ATOM 0 H VAL A 52 -10.882 -0.529 4.364 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.349 -2.211 1.926 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.397 0.594 2.663 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.345 0.561 0.425 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.680 -0.721 1.464 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.868 -1.125 0.202 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.735 1.267 0.690 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.264 -0.418 0.473 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.759 0.491 1.920 1.00 0.12 H new ATOM 810 N ILE A 53 -7.965 -2.746 2.702 1.00 0.09 N ATOM 811 CA ILE A 53 -6.717 -3.268 3.336 1.00 0.09 C ATOM 812 C ILE A 53 -5.528 -2.416 2.873 1.00 0.09 C ATOM 813 O ILE A 53 -5.262 -2.299 1.694 1.00 0.14 O ATOM 814 CB ILE A 53 -6.495 -4.721 2.894 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.834 -5.497 2.901 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.463 -5.400 3.807 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.609 -5.318 4.222 1.00 0.17 C ATOM 0 H ILE A 53 -8.124 -3.057 1.744 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.807 -3.223 4.421 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.107 -4.725 1.875 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.453 -5.156 2.071 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.638 -6.557 2.739 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.314 -6.430 3.484 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.517 -4.861 3.751 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.825 -5.391 4.835 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.541 -5.882 4.177 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.004 -5.684 5.051 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.831 -4.262 4.373 1.00 0.17 H new ATOM 829 N PHE A 54 -4.810 -1.824 3.793 1.00 0.08 N ATOM 830 CA PHE A 54 -3.628 -0.978 3.425 1.00 0.08 C ATOM 831 C PHE A 54 -2.353 -1.697 3.849 1.00 0.08 C ATOM 832 O PHE A 54 -2.231 -2.151 4.966 1.00 0.11 O ATOM 833 CB PHE A 54 -3.717 0.361 4.156 1.00 0.08 C ATOM 834 CG PHE A 54 -4.913 1.128 3.646 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.900 1.650 2.339 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.038 1.318 4.471 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.013 2.364 1.857 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.152 2.032 3.990 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.140 2.556 2.681 1.00 0.09 C ATOM 0 H PHE A 54 -4.992 -1.890 4.794 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.617 -0.806 2.349 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.806 0.197 5.230 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.806 0.937 3.996 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.037 1.503 1.707 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.046 0.916 5.473 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.003 2.765 0.854 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.015 2.178 4.623 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.994 3.104 2.310 1.00 0.09 H new ATOM 849 N LEU A 55 -1.403 -1.818 2.958 1.00 0.08 N ATOM 850 CA LEU A 55 -0.122 -2.520 3.288 1.00 0.09 C ATOM 851 C LEU A 55 1.018 -1.495 3.286 1.00 0.09 C ATOM 852 O LEU A 55 0.858 -0.371 2.855 1.00 0.10 O ATOM 853 CB LEU A 55 0.161 -3.594 2.223 1.00 0.10 C ATOM 854 CG LEU A 55 -0.641 -4.877 2.509 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.131 -4.553 2.692 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.456 -5.845 1.329 1.00 0.12 C ATOM 0 H LEU A 55 -1.459 -1.457 2.006 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.199 -2.991 4.268 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.099 -3.211 1.236 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.227 -3.823 2.206 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.278 -5.334 3.429 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.681 -5.472 2.893 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.254 -3.866 3.529 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.517 -4.091 1.784 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.019 -6.759 1.517 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.819 -5.377 0.414 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.601 -6.086 1.218 1.00 0.12 H new ATOM 868 N GLU A 56 2.171 -1.884 3.754 1.00 0.09 N ATOM 869 CA GLU A 56 3.342 -0.957 3.774 1.00 0.09 C ATOM 870 C GLU A 56 4.585 -1.776 3.435 1.00 0.09 C ATOM 871 O GLU A 56 4.713 -2.909 3.851 1.00 0.10 O ATOM 872 CB GLU A 56 3.482 -0.332 5.167 1.00 0.09 C ATOM 873 CG GLU A 56 4.434 0.868 5.108 1.00 0.11 C ATOM 874 CD GLU A 56 4.369 1.637 6.431 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.091 1.016 7.443 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.597 2.837 6.408 1.00 1.31 O ATOM 0 H GLU A 56 2.356 -2.815 4.128 1.00 0.09 H new ATOM 0 HA GLU A 56 3.211 -0.152 3.051 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.505 -0.015 5.532 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.860 -1.073 5.871 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.453 0.529 4.922 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.160 1.523 4.281 1.00 0.11 H new ATOM 883 N VAL A 57 5.488 -1.231 2.657 1.00 0.08 N ATOM 884 CA VAL A 57 6.706 -2.006 2.261 1.00 0.08 C ATOM 885 C VAL A 57 7.953 -1.121 2.316 1.00 0.09 C ATOM 886 O VAL A 57 7.954 0.011 1.866 1.00 0.14 O ATOM 887 CB VAL A 57 6.517 -2.517 0.830 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.705 -3.401 0.442 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.227 -3.334 0.746 1.00 0.09 C ATOM 0 H VAL A 57 5.435 -0.285 2.279 1.00 0.08 H new ATOM 0 HA VAL A 57 6.839 -2.838 2.953 1.00 0.08 H new ATOM 0 HB VAL A 57 6.456 -1.669 0.148 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.570 -3.765 -0.577 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.625 -2.820 0.501 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.766 -4.248 1.125 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.092 -3.698 -0.273 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.288 -4.181 1.429 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.380 -2.706 1.022 1.00 0.09 H new ATOM 899 N ASP A 58 9.028 -1.652 2.847 1.00 0.09 N ATOM 900 CA ASP A 58 10.307 -0.887 2.923 1.00 0.09 C ATOM 901 C ASP A 58 11.169 -1.304 1.728 1.00 0.10 C ATOM 902 O ASP A 58 11.673 -2.408 1.669 1.00 0.11 O ATOM 903 CB ASP A 58 11.029 -1.223 4.235 1.00 0.11 C ATOM 904 CG ASP A 58 12.076 -0.149 4.541 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.195 -0.292 4.078 1.00 1.08 O ATOM 906 OD2 ASP A 58 11.740 0.797 5.234 1.00 1.06 O ATOM 0 H ASP A 58 9.071 -2.594 3.235 1.00 0.09 H new ATOM 0 HA ASP A 58 10.119 0.186 2.898 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.309 -1.285 5.051 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.508 -2.199 4.157 1.00 0.11 H new ATOM 911 N VAL A 59 11.312 -0.442 0.765 1.00 0.12 N ATOM 912 CA VAL A 59 12.109 -0.795 -0.449 1.00 0.15 C ATOM 913 C VAL A 59 13.583 -1.010 -0.096 1.00 0.18 C ATOM 914 O VAL A 59 14.358 -1.462 -0.916 1.00 0.27 O ATOM 915 CB VAL A 59 11.997 0.338 -1.469 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.560 0.420 -1.980 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.375 1.662 -0.802 1.00 0.22 C ATOM 0 H VAL A 59 10.912 0.496 0.762 1.00 0.12 H new ATOM 0 HA VAL A 59 11.714 -1.722 -0.865 1.00 0.15 H new ATOM 0 HB VAL A 59 12.671 0.145 -2.304 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.478 1.227 -2.708 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.288 -0.524 -2.453 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.887 0.615 -1.145 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.296 2.471 -1.528 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.700 1.855 0.032 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.399 1.604 -0.434 1.00 0.22 H new ATOM 927 N ASP A 60 13.987 -0.683 1.105 1.00 0.16 N ATOM 928 CA ASP A 60 15.425 -0.855 1.494 1.00 0.18 C ATOM 929 C ASP A 60 15.611 -2.122 2.332 1.00 0.17 C ATOM 930 O ASP A 60 16.570 -2.850 2.168 1.00 0.18 O ATOM 931 CB ASP A 60 15.857 0.350 2.324 1.00 0.21 C ATOM 932 CG ASP A 60 15.532 1.638 1.566 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.102 1.838 0.505 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.719 2.403 2.058 1.00 1.08 O ATOM 0 H ASP A 60 13.385 -0.304 1.836 1.00 0.16 H new ATOM 0 HA ASP A 60 16.027 -0.938 0.589 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.345 0.344 3.286 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.926 0.298 2.531 1.00 0.21 H new ATOM 939 N ASP A 61 14.716 -2.385 3.245 1.00 0.17 N ATOM 940 CA ASP A 61 14.856 -3.594 4.112 1.00 0.17 C ATOM 941 C ASP A 61 14.074 -4.768 3.503 1.00 0.16 C ATOM 942 O ASP A 61 14.240 -5.902 3.906 1.00 0.18 O ATOM 943 CB ASP A 61 14.328 -3.251 5.517 1.00 0.19 C ATOM 944 CG ASP A 61 13.968 -4.531 6.289 1.00 0.22 C ATOM 945 OD1 ASP A 61 12.835 -4.970 6.174 1.00 1.12 O ATOM 946 OD2 ASP A 61 14.833 -5.045 6.977 1.00 1.07 O ATOM 0 H ASP A 61 13.891 -1.814 3.430 1.00 0.17 H new ATOM 0 HA ASP A 61 15.903 -3.890 4.183 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.082 -2.688 6.067 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.450 -2.611 5.435 1.00 0.19 H new ATOM 951 N ALA A 62 13.237 -4.507 2.528 1.00 0.16 N ATOM 952 CA ALA A 62 12.451 -5.606 1.874 1.00 0.16 C ATOM 953 C ALA A 62 12.700 -5.561 0.366 1.00 0.16 C ATOM 954 O ALA A 62 11.780 -5.573 -0.429 1.00 0.15 O ATOM 955 CB ALA A 62 10.957 -5.411 2.156 1.00 0.17 C ATOM 0 H ALA A 62 13.062 -3.575 2.153 1.00 0.16 H new ATOM 0 HA ALA A 62 12.764 -6.571 2.272 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.389 -6.210 1.680 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.784 -5.434 3.232 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.634 -4.449 1.757 1.00 0.17 H new ATOM 961 N GLN A 63 13.944 -5.503 -0.029 1.00 0.20 N ATOM 962 CA GLN A 63 14.271 -5.451 -1.483 1.00 0.22 C ATOM 963 C GLN A 63 13.647 -6.651 -2.199 1.00 0.20 C ATOM 964 O GLN A 63 13.517 -6.662 -3.408 1.00 0.20 O ATOM 965 CB GLN A 63 15.790 -5.486 -1.664 1.00 0.29 C ATOM 966 CG GLN A 63 16.437 -4.428 -0.766 1.00 0.90 C ATOM 967 CD GLN A 63 17.945 -4.392 -1.021 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.395 -3.831 -1.999 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.750 -4.975 -0.175 1.00 2.22 N ATOM 0 H GLN A 63 14.750 -5.489 0.596 1.00 0.20 H new ATOM 0 HA GLN A 63 13.871 -4.530 -1.908 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.174 -6.475 -1.413 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.047 -5.299 -2.707 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.000 -3.450 -0.967 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.240 -4.656 0.282 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.372 -5.446 0.647 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.757 -4.959 -0.336 1.00 2.22 H new ATOM 978 N ASP A 64 13.259 -7.662 -1.470 1.00 0.19 N ATOM 979 CA ASP A 64 12.647 -8.854 -2.120 1.00 0.20 C ATOM 980 C ASP A 64 11.259 -8.488 -2.651 1.00 0.17 C ATOM 981 O ASP A 64 10.879 -8.876 -3.737 1.00 0.19 O ATOM 982 CB ASP A 64 12.530 -9.992 -1.097 1.00 0.22 C ATOM 983 CG ASP A 64 12.103 -9.434 0.263 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.795 -8.256 0.331 1.00 1.09 O ATOM 985 OD2 ASP A 64 12.089 -10.197 1.215 1.00 1.11 O ATOM 0 H ASP A 64 13.339 -7.713 -0.454 1.00 0.19 H new ATOM 0 HA ASP A 64 13.274 -9.181 -2.949 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.803 -10.728 -1.441 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.486 -10.507 -1.004 1.00 0.22 H new ATOM 990 N VAL A 65 10.502 -7.738 -1.899 1.00 0.15 N ATOM 991 CA VAL A 65 9.147 -7.345 -2.371 1.00 0.16 C ATOM 992 C VAL A 65 9.297 -6.277 -3.457 1.00 0.16 C ATOM 993 O VAL A 65 8.671 -6.344 -4.496 1.00 0.19 O ATOM 994 CB VAL A 65 8.337 -6.792 -1.195 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.866 -6.677 -1.598 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.463 -7.743 0.001 1.00 0.18 C ATOM 0 H VAL A 65 10.763 -7.381 -0.980 1.00 0.15 H new ATOM 0 HA VAL A 65 8.625 -8.210 -2.780 1.00 0.16 H new ATOM 0 HB VAL A 65 8.718 -5.808 -0.922 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.289 -6.283 -0.761 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.774 -6.004 -2.451 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.485 -7.661 -1.870 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.887 -7.351 0.840 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.081 -8.726 -0.274 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.511 -7.829 0.289 1.00 0.18 H new ATOM 1006 N ALA A 66 10.137 -5.300 -3.232 1.00 0.16 N ATOM 1007 CA ALA A 66 10.342 -4.240 -4.263 1.00 0.18 C ATOM 1008 C ALA A 66 10.936 -4.881 -5.516 1.00 0.19 C ATOM 1009 O ALA A 66 10.638 -4.492 -6.627 1.00 0.20 O ATOM 1010 CB ALA A 66 11.310 -3.178 -3.728 1.00 0.22 C ATOM 0 H ALA A 66 10.689 -5.191 -2.381 1.00 0.16 H new ATOM 0 HA ALA A 66 9.388 -3.768 -4.500 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.457 -2.406 -4.483 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.895 -2.729 -2.826 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.267 -3.643 -3.494 1.00 0.22 H new ATOM 1016 N SER A 67 11.775 -5.869 -5.343 1.00 0.21 N ATOM 1017 CA SER A 67 12.387 -6.541 -6.520 1.00 0.26 C ATOM 1018 C SER A 67 11.290 -7.226 -7.337 1.00 0.26 C ATOM 1019 O SER A 67 11.253 -7.134 -8.548 1.00 0.29 O ATOM 1020 CB SER A 67 13.396 -7.586 -6.045 1.00 0.31 C ATOM 1021 OG SER A 67 14.560 -6.926 -5.560 1.00 1.29 O ATOM 0 H SER A 67 12.061 -6.237 -4.436 1.00 0.21 H new ATOM 0 HA SER A 67 12.897 -5.802 -7.138 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.958 -8.201 -5.259 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.658 -8.255 -6.865 1.00 0.31 H new ATOM 0 HG SER A 67 14.358 -6.492 -4.705 1.00 1.29 H new ATOM 1027 N GLU A 68 10.394 -7.910 -6.680 1.00 0.26 N ATOM 1028 CA GLU A 68 9.293 -8.600 -7.409 1.00 0.30 C ATOM 1029 C GLU A 68 8.417 -7.560 -8.112 1.00 0.31 C ATOM 1030 O GLU A 68 7.961 -7.765 -9.220 1.00 0.36 O ATOM 1031 CB GLU A 68 8.444 -9.392 -6.413 1.00 0.31 C ATOM 1032 CG GLU A 68 7.452 -10.276 -7.171 1.00 0.39 C ATOM 1033 CD GLU A 68 6.509 -10.954 -6.174 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.090 -10.291 -5.240 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.222 -12.125 -6.362 1.00 2.19 O ATOM 0 H GLU A 68 10.377 -8.021 -5.666 1.00 0.26 H new ATOM 0 HA GLU A 68 9.715 -9.279 -8.150 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.085 -10.007 -5.782 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.908 -8.709 -5.754 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.880 -9.676 -7.879 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.987 -11.028 -7.751 1.00 0.39 H new ATOM 1042 N ALA A 69 8.171 -6.445 -7.474 1.00 0.29 N ATOM 1043 CA ALA A 69 7.316 -5.394 -8.106 1.00 0.31 C ATOM 1044 C ALA A 69 8.180 -4.469 -8.972 1.00 0.29 C ATOM 1045 O ALA A 69 7.692 -3.533 -9.575 1.00 0.33 O ATOM 1046 CB ALA A 69 6.630 -4.575 -7.011 1.00 0.31 C ATOM 0 H ALA A 69 8.524 -6.216 -6.545 1.00 0.29 H new ATOM 0 HA ALA A 69 6.564 -5.871 -8.734 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.006 -3.807 -7.468 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.010 -5.231 -6.400 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.385 -4.102 -6.383 1.00 0.31 H new ATOM 1052 N GLU A 70 9.459 -4.723 -9.043 1.00 0.27 N ATOM 1053 CA GLU A 70 10.351 -3.859 -9.874 1.00 0.29 C ATOM 1054 C GLU A 70 10.069 -2.385 -9.574 1.00 0.25 C ATOM 1055 O GLU A 70 9.765 -1.608 -10.459 1.00 0.26 O ATOM 1056 CB GLU A 70 10.091 -4.133 -11.357 1.00 0.38 C ATOM 1057 CG GLU A 70 10.253 -5.627 -11.640 1.00 1.18 C ATOM 1058 CD GLU A 70 10.268 -5.861 -13.152 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.842 -4.973 -13.873 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.705 -6.923 -13.563 1.00 2.06 O ATOM 0 H GLU A 70 9.926 -5.491 -8.562 1.00 0.27 H new ATOM 0 HA GLU A 70 11.391 -4.084 -9.637 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.086 -3.809 -11.626 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.786 -3.559 -11.970 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.178 -5.994 -11.195 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.436 -6.185 -11.183 1.00 1.18 H new ATOM 1067 N VAL A 71 10.170 -1.992 -8.335 1.00 0.22 N ATOM 1068 CA VAL A 71 9.908 -0.568 -7.976 1.00 0.19 C ATOM 1069 C VAL A 71 11.139 0.282 -8.313 1.00 0.23 C ATOM 1070 O VAL A 71 12.251 -0.060 -7.963 1.00 0.28 O ATOM 1071 CB VAL A 71 9.612 -0.471 -6.480 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.088 0.928 -6.156 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.551 -1.507 -6.098 1.00 0.19 C ATOM 0 H VAL A 71 10.423 -2.596 -7.553 1.00 0.22 H new ATOM 0 HA VAL A 71 9.052 -0.201 -8.542 1.00 0.19 H new ATOM 0 HB VAL A 71 10.526 -0.661 -5.918 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.876 0.999 -5.089 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.839 1.670 -6.427 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.174 1.114 -6.720 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.341 -1.436 -5.031 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.637 -1.317 -6.661 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.918 -2.507 -6.330 1.00 0.19 H new ATOM 1083 N LYS A 72 10.946 1.390 -8.993 1.00 0.24 N ATOM 1084 CA LYS A 72 12.099 2.279 -9.364 1.00 0.29 C ATOM 1085 C LYS A 72 11.796 3.720 -8.941 1.00 0.26 C ATOM 1086 O LYS A 72 12.589 4.617 -9.151 1.00 0.27 O ATOM 1087 CB LYS A 72 12.313 2.231 -10.882 1.00 0.35 C ATOM 1088 CG LYS A 72 12.541 0.782 -11.338 1.00 0.43 C ATOM 1089 CD LYS A 72 13.897 0.271 -10.828 1.00 1.16 C ATOM 1090 CE LYS A 72 14.320 -0.969 -11.625 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.905 -0.551 -12.930 1.00 2.40 N ATOM 0 H LYS A 72 10.034 1.719 -9.309 1.00 0.24 H new ATOM 0 HA LYS A 72 12.999 1.933 -8.855 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.445 2.649 -11.393 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.171 2.846 -11.156 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.740 0.145 -10.963 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.509 0.727 -12.426 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.651 1.052 -10.927 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.828 0.027 -9.768 1.00 1.16 H new ATOM 0 HE2 LYS A 72 15.049 -1.547 -11.057 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.460 -1.617 -11.792 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.711 -1.280 -13.646 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.480 0.350 -13.229 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.933 -0.431 -12.827 1.00 2.40 H new ATOM 1105 N ALA A 73 10.660 3.954 -8.338 1.00 0.22 N ATOM 1106 CA ALA A 73 10.318 5.343 -7.893 1.00 0.20 C ATOM 1107 C ALA A 73 9.387 5.257 -6.687 1.00 0.18 C ATOM 1108 O ALA A 73 8.387 4.581 -6.735 1.00 0.16 O ATOM 1109 CB ALA A 73 9.620 6.103 -9.046 1.00 0.21 C ATOM 0 H ALA A 73 9.954 3.247 -8.133 1.00 0.22 H new ATOM 0 HA ALA A 73 11.226 5.880 -7.618 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.373 7.113 -8.719 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.288 6.153 -9.906 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.707 5.579 -9.327 1.00 0.21 H new ATOM 1115 N THR A 74 9.699 5.942 -5.613 1.00 0.18 N ATOM 1116 CA THR A 74 8.814 5.901 -4.403 1.00 0.17 C ATOM 1117 C THR A 74 8.220 7.306 -4.176 1.00 0.17 C ATOM 1118 O THR A 74 8.864 8.286 -4.498 1.00 0.19 O ATOM 1119 CB THR A 74 9.647 5.512 -3.164 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.858 6.248 -3.175 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.988 4.003 -3.153 1.00 0.19 C ATOM 0 H THR A 74 10.528 6.528 -5.521 1.00 0.18 H new ATOM 0 HA THR A 74 8.020 5.170 -4.556 1.00 0.17 H new ATOM 0 HB THR A 74 9.056 5.737 -2.276 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.394 6.008 -2.390 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.575 3.769 -2.265 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.066 3.422 -3.142 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.563 3.754 -4.044 1.00 0.19 H new ATOM 1129 N PRO A 75 7.030 7.391 -3.603 1.00 0.17 N ATOM 1130 CA PRO A 75 6.204 6.229 -3.191 1.00 0.16 C ATOM 1131 C PRO A 75 5.518 5.608 -4.424 1.00 0.14 C ATOM 1132 O PRO A 75 5.156 6.305 -5.352 1.00 0.14 O ATOM 1133 CB PRO A 75 5.142 6.830 -2.239 1.00 0.17 C ATOM 1134 CG PRO A 75 5.237 8.380 -2.367 1.00 0.20 C ATOM 1135 CD PRO A 75 6.433 8.699 -3.293 1.00 0.19 C ATOM 0 HA PRO A 75 6.792 5.443 -2.718 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.144 6.482 -2.506 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.325 6.516 -1.211 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.314 8.788 -2.779 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.378 8.837 -1.388 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.106 9.209 -4.199 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.151 9.354 -2.800 1.00 0.19 H new ATOM 1143 N THR A 76 5.315 4.310 -4.421 1.00 0.13 N ATOM 1144 CA THR A 76 4.622 3.637 -5.571 1.00 0.12 C ATOM 1145 C THR A 76 3.349 2.992 -5.039 1.00 0.12 C ATOM 1146 O THR A 76 3.401 2.103 -4.212 1.00 0.18 O ATOM 1147 CB THR A 76 5.517 2.538 -6.178 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.863 2.971 -6.177 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.082 2.248 -7.614 1.00 0.13 C ATOM 0 H THR A 76 5.601 3.684 -3.668 1.00 0.13 H new ATOM 0 HA THR A 76 4.401 4.374 -6.343 1.00 0.12 H new ATOM 0 HB THR A 76 5.422 1.631 -5.581 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.957 3.747 -6.767 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.718 1.471 -8.037 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.045 1.911 -7.619 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.172 3.155 -8.212 1.00 0.13 H new ATOM 1157 N PHE A 77 2.206 3.414 -5.502 1.00 0.09 N ATOM 1158 CA PHE A 77 0.944 2.792 -5.010 1.00 0.09 C ATOM 1159 C PHE A 77 0.581 1.644 -5.934 1.00 0.09 C ATOM 1160 O PHE A 77 0.409 1.817 -7.122 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.191 3.814 -4.989 1.00 0.10 C ATOM 1162 CG PHE A 77 0.086 4.816 -3.902 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.147 4.462 -2.563 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.580 6.096 -4.225 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.110 5.389 -1.538 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.840 7.026 -3.199 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.605 6.674 -1.854 1.00 0.12 C ATOM 0 H PHE A 77 2.090 4.155 -6.193 1.00 0.09 H new ATOM 0 HA PHE A 77 1.093 2.429 -3.993 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.267 4.314 -5.954 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.145 3.317 -4.811 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.523 3.479 -2.321 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.759 6.363 -5.256 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.071 5.119 -0.508 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.219 8.008 -3.443 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.803 7.386 -1.066 1.00 0.12 H new ATOM 1177 N GLN A 78 0.475 0.467 -5.386 1.00 0.07 N ATOM 1178 CA GLN A 78 0.129 -0.732 -6.198 1.00 0.07 C ATOM 1179 C GLN A 78 -1.165 -1.311 -5.644 1.00 0.06 C ATOM 1180 O GLN A 78 -1.354 -1.392 -4.447 1.00 0.07 O ATOM 1181 CB GLN A 78 1.261 -1.755 -6.078 1.00 0.08 C ATOM 1182 CG GLN A 78 2.597 -1.060 -6.337 1.00 0.12 C ATOM 1183 CD GLN A 78 3.684 -2.109 -6.585 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.803 -1.957 -6.136 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.404 -3.175 -7.288 1.00 1.03 N ATOM 0 H GLN A 78 0.616 0.282 -4.393 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.001 -0.473 -7.249 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.258 -2.204 -5.085 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.114 -2.564 -6.794 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.513 -0.399 -7.199 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.866 -0.438 -5.483 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.465 -3.305 -7.666 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.124 -3.877 -7.459 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.069 -1.685 -6.507 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.383 -2.232 -6.047 1.00 0.07 C ATOM 1196 C PHE A 79 -3.453 -3.726 -6.332 1.00 0.07 C ATOM 1197 O PHE A 79 -3.202 -4.177 -7.434 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.509 -1.515 -6.792 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.522 -0.068 -6.363 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.507 0.789 -6.798 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.534 0.413 -5.520 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.492 2.139 -6.401 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.529 1.762 -5.111 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.508 2.627 -5.552 1.00 0.11 C ATOM 0 H PHE A 79 -1.955 -1.636 -7.519 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.488 -2.072 -4.974 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.358 -1.589 -7.869 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.468 -1.984 -6.571 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.728 0.412 -7.444 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.317 -0.250 -5.184 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.708 2.798 -6.744 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.307 2.132 -4.460 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.503 3.661 -5.241 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.806 -4.494 -5.335 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.921 -5.972 -5.501 1.00 0.08 C ATOM 1216 C PHE A 80 -5.308 -6.398 -5.037 1.00 0.11 C ATOM 1217 O PHE A 80 -5.953 -5.713 -4.268 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.857 -6.672 -4.652 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.503 -6.522 -5.310 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.093 -7.438 -6.301 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.649 -5.468 -4.930 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.171 -7.300 -6.909 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.614 -5.329 -5.538 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.024 -6.245 -6.527 1.00 0.14 C ATOM 0 H PHE A 80 -4.023 -4.153 -4.398 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.772 -6.245 -6.546 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.836 -6.242 -3.651 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.103 -7.728 -4.540 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.748 -8.245 -6.594 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.963 -4.766 -4.172 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.486 -8.002 -7.667 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.268 -4.521 -5.246 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.993 -6.139 -6.993 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.784 -7.515 -5.502 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.138 -7.970 -5.087 1.00 0.14 C ATOM 1236 C LYS A 81 -7.181 -9.483 -5.247 1.00 0.14 C ATOM 1237 O LYS A 81 -6.968 -9.997 -6.323 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.185 -7.297 -5.990 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.560 -7.278 -5.310 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.490 -6.347 -6.094 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.818 -6.193 -5.351 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.560 -5.792 -3.939 1.00 1.48 N ATOM 0 H LYS A 81 -5.296 -8.133 -6.151 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.352 -7.703 -4.052 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.873 -6.278 -6.219 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.251 -7.830 -6.938 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.977 -8.285 -5.275 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.466 -6.936 -4.279 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.020 -5.372 -6.222 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.666 -6.750 -7.092 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.437 -5.444 -5.845 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.371 -7.132 -5.377 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.362 -5.232 -3.585 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.446 -6.643 -3.352 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -10.692 -5.221 -3.893 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.424 -10.202 -4.185 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.446 -11.687 -4.286 1.00 0.20 C ATOM 1258 C LYS A 82 -6.111 -12.165 -4.866 1.00 0.20 C ATOM 1259 O LYS A 82 -6.036 -13.190 -5.516 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.595 -12.136 -5.200 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.915 -12.125 -4.422 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.057 -12.611 -5.326 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.401 -11.548 -6.380 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.745 -11.838 -6.954 1.00 1.67 N ATOM 0 H LYS A 82 -7.608 -9.826 -3.255 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.597 -12.117 -3.296 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.666 -11.473 -6.062 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.397 -13.137 -5.583 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.836 -12.767 -3.545 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.127 -11.118 -4.062 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.768 -13.539 -5.819 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.938 -12.831 -4.722 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.392 -10.556 -5.928 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.649 -11.546 -7.169 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.980 -11.119 -7.668 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.737 -12.778 -7.399 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.457 -11.819 -6.197 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.055 -11.433 -4.632 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.725 -11.844 -5.163 1.00 0.21 C ATOM 1280 C GLY A 83 -3.590 -11.408 -6.623 1.00 0.19 C ATOM 1281 O GLY A 83 -2.644 -11.769 -7.296 1.00 0.22 O ATOM 0 H GLY A 83 -5.057 -10.566 -4.095 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.931 -11.396 -4.566 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.611 -12.925 -5.085 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.531 -10.640 -7.120 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.469 -10.177 -8.549 1.00 0.17 C ATOM 1287 C GLN A 84 -4.249 -8.661 -8.617 1.00 0.16 C ATOM 1288 O GLN A 84 -4.785 -7.908 -7.831 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.789 -10.513 -9.252 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.879 -12.022 -9.490 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.956 -12.407 -10.646 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.198 -11.491 -11.182 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.926 -13.547 -11.064 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.343 -10.311 -6.598 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.637 -10.683 -9.039 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.630 -10.180 -8.644 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.852 -9.981 -10.201 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.594 -12.562 -8.587 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.906 -12.305 -9.720 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -5.520 -14.261 -10.642 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -4.306 -13.791 -11.837 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.469 -8.209 -9.568 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.212 -6.744 -9.707 1.00 0.17 C ATOM 1304 C LYS A 85 -4.336 -6.109 -10.525 1.00 0.16 C ATOM 1305 O LYS A 85 -4.828 -6.694 -11.469 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.876 -6.526 -10.422 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.641 -5.023 -10.625 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.160 -4.764 -10.920 1.00 0.30 C ATOM 1309 CE LYS A 85 0.257 -5.526 -12.181 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.539 -4.966 -12.699 1.00 1.70 N ATOM 0 H LYS A 85 -2.998 -8.796 -10.257 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.174 -6.285 -8.719 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.064 -6.956 -9.836 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.879 -7.037 -11.385 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.254 -4.658 -11.449 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.945 -4.474 -9.733 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.012 -3.696 -11.055 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.450 -5.081 -10.074 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.375 -6.586 -11.956 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.520 -5.446 -12.941 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.823 -5.483 -13.556 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.411 -3.960 -12.929 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.279 -5.064 -11.974 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.759 -4.919 -10.160 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.869 -4.239 -10.904 1.00 0.16 C ATOM 1326 C VAL A 86 -5.462 -2.809 -11.285 1.00 0.18 C ATOM 1327 O VAL A 86 -6.037 -2.217 -12.177 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.111 -4.194 -10.011 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.674 -5.608 -9.852 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.733 -3.643 -8.636 1.00 0.17 C ATOM 0 H VAL A 86 -4.381 -4.388 -9.375 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.082 -4.796 -11.816 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.862 -3.549 -10.467 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.559 -5.578 -9.216 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.944 -6.004 -10.831 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.921 -6.250 -9.396 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.618 -3.611 -8.001 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.982 -4.288 -8.180 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.329 -2.637 -8.746 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.484 -2.241 -10.627 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.074 -0.847 -10.982 1.00 0.18 C ATOM 1342 C GLY A 87 -2.812 -0.446 -10.207 1.00 0.10 C ATOM 1343 O GLY A 87 -2.349 -1.162 -9.341 1.00 0.08 O ATOM 0 H GLY A 87 -3.957 -2.674 -9.869 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.887 -0.778 -12.054 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.884 -0.154 -10.754 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.253 0.698 -10.520 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.018 1.154 -9.810 1.00 0.10 C ATOM 1349 C GLU A 88 -0.651 2.570 -10.254 1.00 0.10 C ATOM 1350 O GLU A 88 -0.911 2.971 -11.372 1.00 0.11 O ATOM 1351 CB GLU A 88 0.134 0.203 -10.137 1.00 0.17 C ATOM 1352 CG GLU A 88 0.142 -0.091 -11.636 1.00 0.25 C ATOM 1353 CD GLU A 88 1.467 -0.750 -12.021 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.876 -1.663 -11.324 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.049 -0.331 -13.008 1.00 1.94 O ATOM 0 H GLU A 88 -2.599 1.336 -11.237 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.202 1.155 -8.736 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.083 0.648 -9.838 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.025 -0.724 -9.574 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.690 -0.746 -11.893 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.006 0.832 -12.199 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.025 3.325 -9.388 1.00 0.09 N ATOM 1363 CA PHE A 89 0.379 4.710 -9.767 1.00 0.09 C ATOM 1364 C PHE A 89 1.321 5.301 -8.713 1.00 0.09 C ATOM 1365 O PHE A 89 1.076 5.230 -7.531 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.859 5.606 -9.955 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.453 6.032 -8.626 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.810 7.010 -7.836 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.669 5.466 -8.187 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.378 7.413 -6.617 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.237 5.873 -6.964 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.592 6.847 -6.180 1.00 0.11 C ATOM 0 H PHE A 89 0.222 3.043 -8.439 1.00 0.09 H new ATOM 0 HA PHE A 89 0.912 4.665 -10.717 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.584 6.490 -10.530 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.611 5.070 -10.534 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.119 7.448 -8.170 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.165 4.720 -8.790 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.883 8.159 -6.013 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.167 5.438 -6.628 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.028 7.161 -5.243 1.00 0.11 H new ATOM 1382 N SER A 90 2.405 5.897 -9.141 1.00 0.13 N ATOM 1383 CA SER A 90 3.376 6.510 -8.178 1.00 0.14 C ATOM 1384 C SER A 90 3.195 8.028 -8.190 1.00 0.14 C ATOM 1385 O SER A 90 2.252 8.545 -8.755 1.00 0.17 O ATOM 1386 CB SER A 90 4.799 6.167 -8.614 1.00 0.15 C ATOM 1387 OG SER A 90 5.199 7.059 -9.648 1.00 0.16 O ATOM 0 H SER A 90 2.663 5.987 -10.124 1.00 0.13 H new ATOM 0 HA SER A 90 3.199 6.125 -7.174 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.480 6.244 -7.767 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.846 5.137 -8.968 1.00 0.15 H new ATOM 0 HG SER A 90 6.157 7.247 -9.565 1.00 0.16 H new ATOM 1393 N GLY A 91 4.090 8.750 -7.573 1.00 0.12 N ATOM 1394 CA GLY A 91 3.970 10.240 -7.552 1.00 0.13 C ATOM 1395 C GLY A 91 3.139 10.672 -6.345 1.00 0.13 C ATOM 1396 O GLY A 91 2.064 10.161 -6.103 1.00 0.13 O ATOM 0 H GLY A 91 4.901 8.374 -7.081 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.960 10.694 -7.505 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.502 10.590 -8.472 1.00 0.13 H new ATOM 1400 N ALA A 92 3.633 11.607 -5.577 1.00 0.15 N ATOM 1401 CA ALA A 92 2.869 12.062 -4.378 1.00 0.17 C ATOM 1402 C ALA A 92 1.482 12.577 -4.785 1.00 0.15 C ATOM 1403 O ALA A 92 1.306 13.739 -5.093 1.00 0.16 O ATOM 1404 CB ALA A 92 3.640 13.187 -3.674 1.00 0.20 C ATOM 0 H ALA A 92 4.528 12.073 -5.727 1.00 0.15 H new ATOM 0 HA ALA A 92 2.747 11.216 -3.702 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.081 13.519 -2.799 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.617 12.819 -3.363 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.770 14.024 -4.360 1.00 0.20 H new ATOM 1410 N ASN A 93 0.490 11.725 -4.756 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.898 12.161 -5.101 1.00 0.13 C ATOM 1412 C ASN A 93 -1.859 11.484 -4.121 1.00 0.12 C ATOM 1413 O ASN A 93 -2.515 10.513 -4.441 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.237 11.752 -6.541 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.388 12.620 -7.056 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.374 12.810 -6.373 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.303 13.156 -8.240 1.00 1.15 N ATOM 0 H ASN A 93 0.582 10.740 -4.507 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.984 13.245 -5.028 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.362 11.871 -7.180 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.517 10.699 -6.576 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.065 13.735 -8.593 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.475 12.997 -8.814 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.919 11.984 -2.919 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.805 11.373 -1.886 1.00 0.20 C ATOM 1426 C LYS A 94 -4.276 11.499 -2.293 1.00 0.18 C ATOM 1427 O LYS A 94 -5.085 10.647 -1.981 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.576 12.079 -0.539 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.422 13.609 -0.748 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.931 14.000 -0.803 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.387 14.191 0.616 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.066 14.519 0.549 1.00 1.19 N ATOM 0 H LYS A 94 -1.388 12.796 -2.604 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.563 10.314 -1.794 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.413 11.880 0.130 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.682 11.680 -0.059 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.916 13.907 -1.673 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.915 14.144 0.064 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.362 13.226 -1.318 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.809 14.920 -1.375 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.929 14.991 1.120 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.540 13.284 1.201 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.513 14.303 1.463 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.516 13.953 -0.199 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.184 15.530 0.336 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.638 12.547 -2.978 1.00 0.19 N ATOM 1447 CA GLU A 95 -6.061 12.704 -3.382 1.00 0.20 C ATOM 1448 C GLU A 95 -6.428 11.593 -4.372 1.00 0.17 C ATOM 1449 O GLU A 95 -7.565 11.175 -4.462 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.254 14.071 -4.047 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.320 15.161 -2.974 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.481 16.527 -3.644 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.626 16.558 -4.855 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.459 17.519 -2.934 1.00 1.95 O ATOM 0 H GLU A 95 -4.014 13.297 -3.274 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.703 12.637 -2.504 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.431 14.272 -4.733 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.170 14.073 -4.638 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -7.156 14.973 -2.301 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.414 15.146 -2.368 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.467 11.111 -5.113 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.745 10.027 -6.097 1.00 0.14 C ATOM 1463 C LYS A 96 -6.080 8.738 -5.348 1.00 0.12 C ATOM 1464 O LYS A 96 -6.904 7.961 -5.778 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.516 9.810 -6.985 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.904 8.988 -8.214 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.685 8.820 -9.127 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.130 8.268 -10.484 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.052 9.239 -11.142 1.00 2.05 N ATOM 0 H LYS A 96 -4.497 11.424 -5.078 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.590 10.310 -6.724 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.105 10.771 -7.294 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.736 9.295 -6.423 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.278 8.011 -7.907 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.711 9.483 -8.755 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.183 9.778 -9.260 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.964 8.144 -8.667 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.261 8.089 -11.118 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.630 7.309 -10.351 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.996 9.126 -12.174 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -6.027 9.060 -10.827 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.777 10.208 -10.884 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.455 8.504 -4.225 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.757 7.263 -3.458 1.00 0.11 C ATOM 1485 C LEU A 97 -7.269 7.166 -3.252 1.00 0.11 C ATOM 1486 O LEU A 97 -7.851 6.102 -3.315 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.077 7.321 -2.079 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.581 7.009 -2.204 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.910 7.315 -0.858 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.360 5.515 -2.594 1.00 0.13 C ATOM 0 H LEU A 97 -4.753 9.115 -3.808 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.388 6.399 -4.011 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.213 8.310 -1.641 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.548 6.606 -1.404 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.141 7.624 -2.989 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.844 7.099 -0.926 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.053 8.367 -0.611 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.357 6.696 -0.080 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.292 5.315 -2.677 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.791 4.871 -1.827 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.843 5.313 -3.550 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.902 8.276 -2.996 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.377 8.260 -2.768 1.00 0.14 C ATOM 1504 C GLU A 98 -10.097 7.874 -4.062 1.00 0.13 C ATOM 1505 O GLU A 98 -10.851 6.921 -4.105 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.834 9.653 -2.322 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.233 9.575 -1.697 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.264 9.253 -2.781 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.568 10.140 -3.563 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.733 8.127 -2.810 1.00 2.15 O ATOM 0 H GLU A 98 -7.463 9.195 -2.934 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.617 7.530 -1.995 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.127 10.062 -1.600 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.846 10.331 -3.176 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.254 8.808 -0.922 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.480 10.521 -1.216 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.882 8.616 -5.109 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.562 8.309 -6.400 1.00 0.14 C ATOM 1519 C ALA A 99 -10.218 6.891 -6.863 1.00 0.12 C ATOM 1520 O ALA A 99 -11.061 6.186 -7.367 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.110 9.311 -7.462 1.00 0.15 C ATOM 0 H ALA A 99 -9.262 9.426 -5.129 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.640 8.381 -6.255 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.606 9.088 -8.407 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.371 10.320 -7.144 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.030 9.240 -7.593 1.00 0.15 H new ATOM 1527 N THR A 100 -8.990 6.471 -6.711 1.00 0.11 N ATOM 1528 CA THR A 100 -8.605 5.100 -7.168 1.00 0.11 C ATOM 1529 C THR A 100 -9.312 4.043 -6.318 1.00 0.10 C ATOM 1530 O THR A 100 -9.855 3.083 -6.829 1.00 0.11 O ATOM 1531 CB THR A 100 -7.090 4.926 -7.041 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.438 6.006 -7.694 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.671 3.607 -7.692 1.00 0.12 C ATOM 0 H THR A 100 -8.237 7.016 -6.291 1.00 0.11 H new ATOM 0 HA THR A 100 -8.903 4.977 -8.209 1.00 0.11 H new ATOM 0 HB THR A 100 -6.810 4.913 -5.988 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.465 6.800 -7.120 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.592 3.483 -7.601 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.174 2.779 -7.193 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.948 3.618 -8.746 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.312 4.211 -5.029 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.987 3.213 -4.146 1.00 0.11 C ATOM 1543 C ILE A 101 -11.483 3.168 -4.486 1.00 0.13 C ATOM 1544 O ILE A 101 -12.040 2.117 -4.731 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.790 3.622 -2.675 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.326 3.356 -2.268 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.733 2.808 -1.773 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.972 4.108 -0.974 1.00 0.18 C ATOM 0 H ILE A 101 -8.875 4.995 -4.544 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.555 2.224 -4.302 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.018 4.682 -2.560 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.172 2.286 -2.126 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.658 3.670 -3.070 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.587 3.103 -0.734 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.767 2.997 -2.063 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.514 1.746 -1.882 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.935 3.905 -0.707 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.104 5.179 -1.128 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.626 3.774 -0.169 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.135 4.297 -4.498 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.592 4.309 -4.816 1.00 0.17 C ATOM 1562 C ASN A 102 -13.811 3.749 -6.223 1.00 0.18 C ATOM 1563 O ASN A 102 -14.905 3.363 -6.585 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.114 5.747 -4.750 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.642 5.739 -4.826 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.209 5.369 -5.835 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.338 6.134 -3.795 1.00 1.03 N ATOM 0 H ASN A 102 -11.724 5.210 -4.302 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.129 3.694 -4.094 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.788 6.221 -3.825 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.701 6.333 -5.571 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.357 6.132 -3.837 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.863 6.445 -2.948 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.780 3.709 -7.019 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.923 3.181 -8.407 1.00 0.18 C ATOM 1576 C GLU A 103 -12.974 1.651 -8.388 1.00 0.19 C ATOM 1577 O GLU A 103 -13.942 1.043 -8.799 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.720 3.629 -9.247 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.061 3.536 -10.735 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.804 3.802 -11.565 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.004 2.890 -11.700 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.662 4.912 -12.050 1.00 2.01 O ATOM 0 H GLU A 103 -11.841 4.020 -6.769 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.847 3.567 -8.838 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.447 4.653 -8.991 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.856 3.003 -9.023 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.460 2.548 -10.966 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.836 4.260 -10.987 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.916 1.030 -7.942 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.861 -0.461 -7.921 1.00 0.19 C ATOM 1591 C LEU A 104 -12.369 -0.996 -6.579 1.00 0.19 C ATOM 1592 O LEU A 104 -12.031 -2.091 -6.172 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.407 -0.906 -8.138 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.855 -0.291 -9.431 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.332 -0.430 -9.450 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.443 -1.004 -10.655 1.00 0.35 C ATOM 0 H LEU A 104 -11.080 1.495 -7.588 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.496 -0.857 -8.713 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.794 -0.600 -7.290 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.356 -1.993 -8.192 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.133 0.762 -9.466 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.938 0.006 -10.368 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.908 0.090 -8.590 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.062 -1.485 -9.405 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.042 -0.556 -11.564 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.177 -2.061 -10.623 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.528 -0.902 -10.649 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.185 -0.247 -5.890 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.711 -0.735 -4.583 1.00 0.22 C ATOM 1610 C VAL A 105 -14.568 -1.983 -4.820 1.00 0.26 C ATOM 1611 O VAL A 105 -14.527 -2.872 -3.985 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.565 0.357 -3.933 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.649 0.809 -4.911 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.225 -0.194 -2.666 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.247 -2.028 -5.832 1.00 1.18 O ATOM 0 H VAL A 105 -13.509 0.678 -6.173 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.879 -0.981 -3.923 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.930 1.204 -3.675 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.256 1.586 -4.447 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.183 1.203 -5.814 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.282 -0.040 -5.170 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.833 0.584 -2.204 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.858 -1.043 -2.925 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.455 -0.516 -1.965 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.927 0.672 6.371 1.00 0.00 N ATOM 1627 CA PHE B 1 22.155 1.846 5.873 1.00 0.00 C ATOM 1628 C PHE B 1 20.904 1.358 5.135 1.00 0.00 C ATOM 1629 O PHE B 1 20.655 0.173 5.038 1.00 0.00 O ATOM 1630 CB PHE B 1 23.032 2.664 4.922 1.00 0.00 C ATOM 1631 CG PHE B 1 23.391 1.830 3.715 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.533 1.809 2.601 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.583 1.081 3.699 1.00 0.00 C ATOM 1634 CE1 PHE B 1 22.860 1.040 1.470 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.913 0.308 2.568 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.053 0.287 1.453 1.00 0.00 C ATOM 0 H1 PHE B 1 23.323 0.889 7.308 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.297 -0.152 6.444 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.700 0.459 5.709 1.00 0.00 H new ATOM 0 HA PHE B 1 21.855 2.471 6.714 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.504 3.565 4.609 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.938 2.987 5.435 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.620 2.385 2.614 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.244 1.099 4.553 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.199 1.026 0.616 1.00 0.00 H new ATOM 0 HE2 PHE B 1 25.826 -0.269 2.556 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.306 -0.305 0.586 1.00 0.00 H new ATOM 1648 N ARG B 2 20.112 2.262 4.616 1.00 0.00 N ATOM 1649 CA ARG B 2 18.872 1.848 3.885 1.00 0.00 C ATOM 1650 C ARG B 2 18.596 2.837 2.745 1.00 0.00 C ATOM 1651 O ARG B 2 17.662 3.615 2.793 1.00 0.00 O ATOM 1652 CB ARG B 2 17.682 1.833 4.858 1.00 0.00 C ATOM 1653 CG ARG B 2 17.753 0.597 5.762 1.00 0.00 C ATOM 1654 CD ARG B 2 16.416 0.419 6.485 1.00 0.00 C ATOM 1655 NE ARG B 2 16.495 -0.771 7.381 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.578 -0.969 8.289 1.00 0.00 C ATOM 1657 NH1 ARG B 2 14.580 -0.136 8.403 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.657 -2.005 9.081 1.00 0.00 N ATOM 0 H ARG B 2 20.269 3.269 4.666 1.00 0.00 H new ATOM 0 HA ARG B 2 19.010 0.849 3.471 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.688 2.738 5.466 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.746 1.831 4.299 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.979 -0.289 5.168 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.559 0.709 6.487 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.182 1.311 7.066 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.612 0.290 5.760 1.00 0.00 H new ATOM 0 HE ARG B 2 17.267 -1.431 7.284 1.00 0.00 H new ATOM 0 HH11 ARG B 2 14.516 0.671 7.782 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.864 -0.292 9.113 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.435 -2.659 8.990 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.941 -2.160 9.791 1.00 0.00 H new ATOM 1672 N PHE B 3 19.405 2.799 1.713 1.00 0.00 N ATOM 1673 CA PHE B 3 19.222 3.717 0.541 1.00 0.00 C ATOM 1674 C PHE B 3 18.964 2.884 -0.715 1.00 0.00 C ATOM 1675 O PHE B 3 19.522 1.818 -0.894 1.00 0.00 O ATOM 1676 CB PHE B 3 20.492 4.561 0.349 1.00 0.00 C ATOM 1677 CG PHE B 3 20.485 5.735 1.306 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.740 5.538 2.677 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.223 7.030 0.820 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.735 6.635 3.560 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.217 8.128 1.702 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.474 7.931 3.072 1.00 0.00 C ATOM 0 H PHE B 3 20.197 2.161 1.631 1.00 0.00 H new ATOM 0 HA PHE B 3 18.374 4.378 0.720 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.376 3.947 0.521 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.548 4.920 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.940 4.545 3.051 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.026 7.182 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.931 6.483 4.611 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.015 9.121 1.327 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.471 8.773 3.749 1.00 0.00 H new ATOM 1692 N ARG B 4 18.120 3.366 -1.589 1.00 0.00 N ATOM 1693 CA ARG B 4 17.810 2.616 -2.845 1.00 0.00 C ATOM 1694 C ARG B 4 17.743 3.611 -4.010 1.00 0.00 C ATOM 1695 O ARG B 4 18.758 4.091 -4.470 1.00 0.00 O ATOM 1696 CB ARG B 4 16.468 1.897 -2.680 1.00 0.00 C ATOM 1697 CG ARG B 4 16.657 0.608 -1.855 1.00 0.00 C ATOM 1698 CD ARG B 4 17.050 -0.562 -2.769 1.00 0.00 C ATOM 1699 NE ARG B 4 15.825 -1.129 -3.405 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.931 -1.949 -4.417 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.109 -2.276 -4.873 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.858 -2.443 -4.972 1.00 0.00 N ATOM 0 H ARG B 4 17.628 4.254 -1.487 1.00 0.00 H new ATOM 0 HA ARG B 4 18.584 1.876 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.753 2.554 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.053 1.655 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.428 0.762 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.735 0.370 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.746 -0.221 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.563 -1.332 -2.192 1.00 0.00 H new ATOM 0 HE ARG B 4 14.903 -0.876 -3.049 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.948 -1.892 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.190 -2.916 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.937 -2.189 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.941 -3.083 -5.762 1.00 0.00 H new ATOM 1716 N TYR B 5 16.558 3.932 -4.487 1.00 0.00 N ATOM 1717 CA TYR B 5 16.429 4.909 -5.624 1.00 0.00 C ATOM 1718 C TYR B 5 15.823 6.233 -5.129 1.00 0.00 C ATOM 1719 O TYR B 5 15.760 6.495 -3.945 1.00 0.00 O ATOM 1720 CB TYR B 5 15.578 4.299 -6.752 1.00 0.00 C ATOM 1721 CG TYR B 5 14.450 3.475 -6.194 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.673 2.139 -5.798 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.169 4.032 -6.098 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.608 1.370 -5.294 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.105 3.267 -5.599 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.322 1.935 -5.193 1.00 0.00 C ATOM 1727 OH TYR B 5 11.277 1.184 -4.697 1.00 0.00 O ATOM 0 H TYR B 5 15.675 3.560 -4.138 1.00 0.00 H new ATOM 0 HA TYR B 5 17.421 5.122 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.176 5.095 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.206 3.677 -7.390 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.660 1.708 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.000 5.052 -6.409 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.776 0.349 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.118 3.699 -5.526 1.00 0.00 H new ATOM 0 HH TYR B 5 11.609 0.305 -4.419 1.00 0.00 H new ATOM 1737 N VAL B 6 15.435 7.092 -6.036 1.00 0.00 N ATOM 1738 CA VAL B 6 14.898 8.434 -5.639 1.00 0.00 C ATOM 1739 C VAL B 6 13.468 8.358 -5.098 1.00 0.00 C ATOM 1740 O VAL B 6 12.672 7.533 -5.502 1.00 0.00 O ATOM 1741 CB VAL B 6 14.895 9.354 -6.867 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.850 10.815 -6.418 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.154 9.117 -7.688 1.00 0.00 C ATOM 0 H VAL B 6 15.466 6.923 -7.041 1.00 0.00 H new ATOM 0 HA VAL B 6 15.541 8.818 -4.847 1.00 0.00 H new ATOM 0 HB VAL B 6 14.017 9.134 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.848 11.465 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.946 10.989 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.724 11.034 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.149 9.772 -8.559 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.032 9.331 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.185 8.078 -8.015 1.00 0.00 H new ATOM 1753 N CYS B 7 13.135 9.268 -4.215 1.00 0.00 N ATOM 1754 CA CYS B 7 11.751 9.332 -3.658 1.00 0.00 C ATOM 1755 C CYS B 7 11.005 10.457 -4.371 1.00 0.00 C ATOM 1756 O CYS B 7 11.130 11.614 -4.020 1.00 0.00 O ATOM 1757 CB CYS B 7 11.795 9.629 -2.155 1.00 0.00 C ATOM 1758 SG CYS B 7 13.024 8.579 -1.341 1.00 0.00 S ATOM 0 H CYS B 7 13.773 9.977 -3.853 1.00 0.00 H new ATOM 0 HA CYS B 7 11.249 8.377 -3.809 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.039 10.679 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.813 9.458 -1.715 1.00 0.00 H new ATOM 1763 N GLU B 8 10.245 10.138 -5.382 1.00 0.00 N ATOM 1764 CA GLU B 8 9.514 11.206 -6.123 1.00 0.00 C ATOM 1765 C GLU B 8 8.209 11.554 -5.402 1.00 0.00 C ATOM 1766 O GLU B 8 7.163 11.722 -6.009 1.00 0.00 O ATOM 1767 CB GLU B 8 9.209 10.729 -7.544 1.00 0.00 C ATOM 1768 CG GLU B 8 8.797 9.256 -7.512 1.00 0.00 C ATOM 1769 CD GLU B 8 8.126 8.882 -8.836 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.658 9.246 -9.872 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.091 8.237 -8.792 1.00 0.00 O ATOM 0 H GLU B 8 10.098 9.189 -5.726 1.00 0.00 H new ATOM 0 HA GLU B 8 10.139 12.098 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.411 11.331 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.086 10.858 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.671 8.627 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.113 9.077 -6.683 1.00 0.00 H new ATOM 1778 N GLY B 9 8.268 11.698 -4.114 1.00 0.00 N ATOM 1779 CA GLY B 9 7.047 12.076 -3.361 1.00 0.00 C ATOM 1780 C GLY B 9 6.752 13.555 -3.688 1.00 0.00 C ATOM 1781 O GLY B 9 6.781 13.915 -4.849 1.00 0.00 O ATOM 0 H GLY B 9 9.108 11.571 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.207 11.443 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.198 11.941 -2.290 1.00 0.00 H new ATOM 1785 N PRO B 10 6.505 14.399 -2.700 1.00 0.00 N ATOM 1786 CA PRO B 10 6.252 15.826 -2.982 1.00 0.00 C ATOM 1787 C PRO B 10 7.542 16.470 -3.522 1.00 0.00 C ATOM 1788 O PRO B 10 7.741 17.664 -3.425 1.00 0.00 O ATOM 1789 CB PRO B 10 5.840 16.439 -1.619 1.00 0.00 C ATOM 1790 CG PRO B 10 5.976 15.317 -0.546 1.00 0.00 C ATOM 1791 CD PRO B 10 6.436 14.032 -1.270 1.00 0.00 C ATOM 0 HA PRO B 10 5.477 15.985 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.478 17.287 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.816 16.811 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.697 15.604 0.219 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.024 15.152 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.406 13.698 -0.902 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.734 13.215 -1.106 1.00 0.00 H new ATOM 1799 N SER B 11 8.415 15.679 -4.087 1.00 0.00 N ATOM 1800 CA SER B 11 9.688 16.222 -4.628 1.00 0.00 C ATOM 1801 C SER B 11 9.456 16.735 -6.049 1.00 0.00 C ATOM 1802 O SER B 11 9.806 17.849 -6.383 1.00 0.00 O ATOM 1803 CB SER B 11 10.737 15.105 -4.651 1.00 0.00 C ATOM 1804 OG SER B 11 11.968 15.627 -5.134 1.00 0.00 O ATOM 0 H SER B 11 8.296 14.672 -4.196 1.00 0.00 H new ATOM 0 HA SER B 11 10.038 17.042 -4.001 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.870 14.695 -3.650 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.400 14.287 -5.288 1.00 0.00 H new ATOM 0 HG SER B 11 12.642 14.916 -5.149 1.00 0.00 H new ATOM 1810 N HIS B 12 8.865 15.926 -6.890 1.00 0.00 N ATOM 1811 CA HIS B 12 8.606 16.360 -8.295 1.00 0.00 C ATOM 1812 C HIS B 12 7.211 16.982 -8.389 1.00 0.00 C ATOM 1813 O HIS B 12 6.211 16.290 -8.418 1.00 0.00 O ATOM 1814 CB HIS B 12 8.683 15.143 -9.221 1.00 0.00 C ATOM 1815 CG HIS B 12 8.535 15.589 -10.649 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.060 16.786 -11.108 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.923 15.008 -11.732 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.757 16.887 -12.416 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.065 15.830 -12.846 1.00 0.00 N ATOM 0 H HIS B 12 8.550 14.982 -6.664 1.00 0.00 H new ATOM 0 HA HIS B 12 9.352 17.097 -8.593 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.635 14.630 -9.086 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.898 14.430 -8.968 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.410 14.058 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.039 17.721 -13.041 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.715 15.661 -13.789 1.00 0.00 H new ATOM 1827 N GLY B 13 7.133 18.284 -8.439 1.00 0.00 N ATOM 1828 CA GLY B 13 5.804 18.951 -8.533 1.00 0.00 C ATOM 1829 C GLY B 13 5.976 20.356 -9.114 1.00 0.00 C ATOM 1830 O GLY B 13 7.093 20.697 -9.466 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.988 21.067 -9.196 1.00 0.00 O ATOM 0 H GLY B 13 7.934 18.915 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.135 18.365 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.344 19.008 -7.547 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.004 -10.409 -1.346 1.00 0.24 O HETATM 1839 O HOH A 107 8.443 -3.040 5.267 1.00 0.40 O HETATM 1842 O HOH A 108 12.451 1.411 2.308 1.00 0.32 O HETATM 1845 O HOH A 109 -8.877 -8.728 -0.303 1.00 0.26 O HETATM 1848 O HOH A 110 -7.662 -13.264 0.578 1.00 0.21 O HETATM 1851 O HOH A 111 -12.181 -2.763 0.196 1.00 0.37 O