USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 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 Set 1.1: A 93 ASN : amide:sc= -3.82! C(o=-7.8!,f=-12!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 145:sc= -3.95! (180deg=-3.2!) USER MOD Set 2.1: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 94 LYS NZ :NH3+ -158:sc= 0.061 (180deg=0.0159) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc=-0.00642 (180deg=-0.453) USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.05) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= -0.0432 (180deg=-0.966) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 171:sc= -0.566 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.127 (180deg=-0.738) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.928 (180deg=-2.44!) USER MOD Single : A 43 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.042) USER MOD Single : A 44 SER OG : rot 153:sc= 0.88 USER MOD Single : A 46 SER OG : rot 95:sc= -0.952 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= -0.59 K(o=-0.59,f=0) USER MOD Single : A 67 SER OG : rot 69:sc= 0.981 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0532 (180deg=-0.48) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 76 THR OG1 : rot -55:sc= -0.682 USER MOD Single : A 78 GLN : amide:sc= -2.88 K(o=-2.9,f=-3.5!) USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.254) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.0025) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0.167 (180deg=0.135) USER MOD Single : A 90 SER OG : rot 130:sc= 1.09 USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.374 USER MOD Single : A 102 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.7!) USER MOD Single : B 1 PHE N :NH3+ -154:sc= 0.952 (180deg=0.277) USER MOD Single : B 5 TYR OH : rot 7:sc= -3.65! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.497 -2.335 8.837 1.00 0.73 N ATOM 2 CA MET A 1 -6.239 -2.488 9.620 1.00 0.31 C ATOM 3 C MET A 1 -5.037 -2.436 8.674 1.00 0.24 C ATOM 4 O MET A 1 -5.117 -2.844 7.531 1.00 0.21 O ATOM 5 CB MET A 1 -6.254 -3.833 10.353 1.00 0.70 C ATOM 6 CG MET A 1 -7.575 -3.992 11.111 1.00 1.55 C ATOM 7 SD MET A 1 -7.402 -5.292 12.358 1.00 2.25 S ATOM 8 CE MET A 1 -7.697 -6.700 11.261 1.00 2.89 C ATOM 0 H1 MET A 1 -8.265 -2.033 9.470 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.359 -1.620 8.095 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.746 -3.245 8.399 1.00 0.73 H new ATOM 0 HA MET A 1 -6.164 -1.679 10.346 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.132 -4.648 9.640 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.416 -3.889 11.048 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.849 -3.051 11.587 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.377 -4.243 10.417 1.00 1.55 H new ATOM 0 HE1 MET A 1 -7.636 -7.626 11.833 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.688 -6.613 10.816 1.00 2.89 H new ATOM 0 HE3 MET A 1 -6.945 -6.711 10.472 1.00 2.89 H new ATOM 20 N VAL A 2 -3.921 -1.939 9.140 1.00 0.24 N ATOM 21 CA VAL A 2 -2.707 -1.859 8.273 1.00 0.19 C ATOM 22 C VAL A 2 -1.840 -3.102 8.507 1.00 0.22 C ATOM 23 O VAL A 2 -2.068 -3.861 9.429 1.00 0.28 O ATOM 24 CB VAL A 2 -1.907 -0.600 8.634 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.736 -0.428 7.659 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.821 0.629 8.559 1.00 0.30 C ATOM 0 H VAL A 2 -3.797 -1.583 10.088 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.004 -1.812 7.225 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.518 -0.703 9.647 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.173 0.468 7.921 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.082 -1.298 7.718 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.119 -0.331 6.643 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.251 1.522 8.816 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.215 0.728 7.548 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.647 0.511 9.260 1.00 0.30 H new ATOM 36 N LYS A 3 -0.849 -3.319 7.683 1.00 0.18 N ATOM 37 CA LYS A 3 0.030 -4.515 7.860 1.00 0.22 C ATOM 38 C LYS A 3 1.409 -4.225 7.268 1.00 0.16 C ATOM 39 O LYS A 3 1.537 -3.823 6.129 1.00 0.13 O ATOM 40 CB LYS A 3 -0.582 -5.723 7.144 1.00 0.26 C ATOM 41 CG LYS A 3 0.104 -7.004 7.625 1.00 0.34 C ATOM 42 CD LYS A 3 -0.522 -8.215 6.930 1.00 0.81 C ATOM 43 CE LYS A 3 0.232 -9.482 7.339 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.541 -10.681 6.906 1.00 1.97 N ATOM 0 H LYS A 3 -0.609 -2.719 6.894 1.00 0.18 H new ATOM 0 HA LYS A 3 0.123 -4.735 8.923 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.652 -5.774 7.344 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.464 -5.618 6.065 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.171 -6.960 7.409 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.001 -7.099 8.706 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.574 -8.301 7.202 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.482 -8.088 5.848 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.223 -9.491 6.885 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.376 -9.500 8.419 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.372 -11.462 7.572 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.556 -10.453 6.890 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.235 -10.966 5.954 1.00 1.97 H new ATOM 58 N GLN A 4 2.445 -4.421 8.040 1.00 0.18 N ATOM 59 CA GLN A 4 3.824 -4.152 7.534 1.00 0.15 C ATOM 60 C GLN A 4 4.388 -5.411 6.871 1.00 0.13 C ATOM 61 O GLN A 4 4.326 -6.498 7.411 1.00 0.14 O ATOM 62 CB GLN A 4 4.718 -3.741 8.713 1.00 0.20 C ATOM 63 CG GLN A 4 6.196 -3.762 8.294 1.00 0.21 C ATOM 64 CD GLN A 4 7.026 -2.943 9.287 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.689 -2.854 10.451 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.104 -2.336 8.872 1.00 0.98 N ATOM 0 H GLN A 4 2.396 -4.757 9.002 1.00 0.18 H new ATOM 0 HA GLN A 4 3.794 -3.349 6.798 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.444 -2.743 9.055 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.561 -4.420 9.551 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.560 -4.789 8.261 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.305 -3.353 7.290 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.387 -2.411 7.895 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.663 -1.787 9.525 1.00 0.98 H new ATOM 75 N ILE A 5 4.956 -5.256 5.704 1.00 0.10 N ATOM 76 CA ILE A 5 5.558 -6.414 4.978 1.00 0.10 C ATOM 77 C ILE A 5 7.080 -6.286 5.059 1.00 0.10 C ATOM 78 O ILE A 5 7.666 -5.405 4.463 1.00 0.11 O ATOM 79 CB ILE A 5 5.137 -6.369 3.503 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.636 -6.033 3.363 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.443 -7.708 2.826 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.756 -7.043 4.114 1.00 0.19 C ATOM 0 H ILE A 5 5.029 -4.363 5.216 1.00 0.10 H new ATOM 0 HA ILE A 5 5.223 -7.351 5.423 1.00 0.10 H new ATOM 0 HB ILE A 5 5.708 -5.581 3.011 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.450 -5.031 3.749 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.362 -6.025 2.308 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.140 -7.664 1.780 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.512 -7.910 2.886 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.895 -8.504 3.330 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.707 -6.773 3.992 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.923 -8.042 3.711 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.013 -7.032 5.173 1.00 0.19 H new ATOM 94 N GLU A 6 7.725 -7.146 5.800 1.00 0.11 N ATOM 95 CA GLU A 6 9.210 -7.064 5.931 1.00 0.14 C ATOM 96 C GLU A 6 9.875 -8.115 5.037 1.00 0.14 C ATOM 97 O GLU A 6 11.072 -8.095 4.830 1.00 0.17 O ATOM 98 CB GLU A 6 9.590 -7.326 7.387 1.00 0.18 C ATOM 99 CG GLU A 6 8.684 -6.512 8.310 1.00 0.31 C ATOM 100 CD GLU A 6 9.110 -6.725 9.764 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.124 -7.367 9.976 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.412 -6.242 10.642 1.00 1.97 O ATOM 0 H GLU A 6 7.287 -7.905 6.322 1.00 0.11 H new ATOM 0 HA GLU A 6 9.548 -6.074 5.625 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.495 -8.388 7.612 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.633 -7.057 7.555 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.743 -5.454 8.054 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.645 -6.815 8.176 1.00 0.31 H new ATOM 109 N SER A 7 9.114 -9.033 4.502 1.00 0.13 N ATOM 110 CA SER A 7 9.715 -10.078 3.621 1.00 0.15 C ATOM 111 C SER A 7 8.668 -10.588 2.631 1.00 0.14 C ATOM 112 O SER A 7 7.479 -10.484 2.858 1.00 0.12 O ATOM 113 CB SER A 7 10.213 -11.240 4.479 1.00 0.20 C ATOM 114 OG SER A 7 9.172 -11.662 5.349 1.00 0.23 O ATOM 0 H SER A 7 8.105 -9.105 4.636 1.00 0.13 H new ATOM 0 HA SER A 7 10.550 -9.646 3.069 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.529 -12.067 3.843 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.084 -10.932 5.058 1.00 0.20 H new ATOM 0 HG SER A 7 9.488 -12.409 5.899 1.00 0.23 H new ATOM 120 N LYS A 8 9.104 -11.140 1.532 1.00 0.15 N ATOM 121 CA LYS A 8 8.140 -11.659 0.522 1.00 0.14 C ATOM 122 C LYS A 8 7.144 -12.602 1.202 1.00 0.14 C ATOM 123 O LYS A 8 6.023 -12.759 0.763 1.00 0.13 O ATOM 124 CB LYS A 8 8.906 -12.420 -0.569 1.00 0.17 C ATOM 125 CG LYS A 8 8.019 -12.572 -1.811 1.00 0.21 C ATOM 126 CD LYS A 8 8.582 -13.673 -2.717 1.00 0.22 C ATOM 127 CE LYS A 8 7.892 -13.625 -4.085 1.00 1.06 C ATOM 128 NZ LYS A 8 8.533 -12.575 -4.926 1.00 1.90 N ATOM 0 H LYS A 8 10.088 -11.254 1.290 1.00 0.15 H new ATOM 0 HA LYS A 8 7.599 -10.826 0.073 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.820 -11.885 -0.826 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.204 -13.402 -0.201 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.000 -12.818 -1.514 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.973 -11.628 -2.355 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.657 -13.543 -2.837 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.429 -14.649 -2.257 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.966 -14.595 -4.576 1.00 1.06 H new ATOM 0 HE3 LYS A 8 6.831 -13.410 -3.962 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.481 -12.852 -5.927 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.037 -11.671 -4.791 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.529 -12.468 -4.648 1.00 1.90 H new ATOM 142 N THR A 9 7.543 -13.235 2.269 1.00 0.16 N ATOM 143 CA THR A 9 6.617 -14.167 2.970 1.00 0.18 C ATOM 144 C THR A 9 5.376 -13.406 3.440 1.00 0.16 C ATOM 145 O THR A 9 4.258 -13.845 3.257 1.00 0.17 O ATOM 146 CB THR A 9 7.326 -14.774 4.174 1.00 0.21 C ATOM 147 OG1 THR A 9 8.468 -15.496 3.736 1.00 0.24 O ATOM 148 CG2 THR A 9 6.372 -15.715 4.912 1.00 0.25 C ATOM 0 H THR A 9 8.470 -13.148 2.686 1.00 0.16 H new ATOM 0 HA THR A 9 6.315 -14.959 2.285 1.00 0.18 H new ATOM 0 HB THR A 9 7.639 -13.978 4.850 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.926 -15.885 4.510 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.882 -16.148 5.773 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.499 -15.156 5.250 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.055 -16.512 4.240 1.00 0.25 H new ATOM 156 N ALA A 10 5.568 -12.271 4.048 1.00 0.16 N ATOM 157 CA ALA A 10 4.406 -11.477 4.539 1.00 0.17 C ATOM 158 C ALA A 10 3.636 -10.896 3.346 1.00 0.15 C ATOM 159 O ALA A 10 2.454 -10.636 3.432 1.00 0.17 O ATOM 160 CB ALA A 10 4.917 -10.346 5.443 1.00 0.20 C ATOM 0 H ALA A 10 6.482 -11.856 4.228 1.00 0.16 H new ATOM 0 HA ALA A 10 3.734 -12.118 5.109 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.072 -9.761 5.806 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.454 -10.772 6.290 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.588 -9.701 4.875 1.00 0.20 H new ATOM 166 N PHE A 11 4.292 -10.689 2.237 1.00 0.12 N ATOM 167 CA PHE A 11 3.586 -10.123 1.051 1.00 0.11 C ATOM 168 C PHE A 11 2.438 -11.046 0.640 1.00 0.13 C ATOM 169 O PHE A 11 1.280 -10.703 0.760 1.00 0.16 O ATOM 170 CB PHE A 11 4.565 -9.983 -0.120 1.00 0.10 C ATOM 171 CG PHE A 11 3.823 -9.519 -1.354 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.337 -8.199 -1.428 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.616 -10.405 -2.432 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.646 -7.764 -2.575 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.925 -9.970 -3.579 1.00 0.18 C ATOM 176 CZ PHE A 11 2.440 -8.650 -3.651 1.00 0.21 C ATOM 0 H PHE A 11 5.283 -10.886 2.100 1.00 0.12 H new ATOM 0 HA PHE A 11 3.189 -9.142 1.312 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.350 -9.270 0.133 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.052 -10.938 -0.315 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.495 -7.519 -0.604 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.988 -11.418 -2.377 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.274 -6.752 -2.630 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.767 -10.649 -4.404 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.910 -8.317 -4.531 1.00 0.21 H new ATOM 186 N GLN A 12 2.751 -12.212 0.146 1.00 0.15 N ATOM 187 CA GLN A 12 1.678 -13.151 -0.288 1.00 0.19 C ATOM 188 C GLN A 12 0.687 -13.368 0.857 1.00 0.17 C ATOM 189 O GLN A 12 -0.512 -13.352 0.663 1.00 0.16 O ATOM 190 CB GLN A 12 2.306 -14.491 -0.676 1.00 0.24 C ATOM 191 CG GLN A 12 3.294 -14.279 -1.825 1.00 1.21 C ATOM 192 CD GLN A 12 3.807 -15.635 -2.316 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.048 -16.435 -2.827 1.00 2.35 O ATOM 194 NE2 GLN A 12 5.070 -15.929 -2.179 1.00 2.47 N ATOM 0 H GLN A 12 3.704 -12.555 0.024 1.00 0.15 H new ATOM 0 HA GLN A 12 1.152 -12.729 -1.144 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.818 -14.927 0.182 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.530 -15.195 -0.975 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.809 -13.745 -2.642 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.128 -13.662 -1.492 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.706 -15.257 -1.750 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.422 -16.831 -2.501 1.00 2.47 H new ATOM 203 N GLU A 13 1.175 -13.577 2.046 1.00 0.19 N ATOM 204 CA GLU A 13 0.261 -13.800 3.197 1.00 0.20 C ATOM 205 C GLU A 13 -0.664 -12.590 3.372 1.00 0.18 C ATOM 206 O GLU A 13 -1.817 -12.730 3.727 1.00 0.19 O ATOM 207 CB GLU A 13 1.096 -14.004 4.465 1.00 0.25 C ATOM 208 CG GLU A 13 1.628 -15.440 4.516 1.00 0.30 C ATOM 209 CD GLU A 13 2.540 -15.603 5.733 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.658 -14.655 6.492 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.106 -16.674 5.886 1.00 2.10 O ATOM 0 H GLU A 13 2.170 -13.603 2.270 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.349 -14.684 3.013 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.927 -13.299 4.481 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.489 -13.801 5.347 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.798 -16.145 4.573 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.178 -15.668 3.603 1.00 0.30 H new ATOM 218 N ALA A 14 -0.173 -11.404 3.134 1.00 0.18 N ATOM 219 CA ALA A 14 -1.038 -10.200 3.299 1.00 0.18 C ATOM 220 C ALA A 14 -2.227 -10.280 2.331 1.00 0.18 C ATOM 221 O ALA A 14 -3.358 -10.029 2.697 1.00 0.19 O ATOM 222 CB ALA A 14 -0.222 -8.940 3.008 1.00 0.20 C ATOM 0 H ALA A 14 0.784 -11.217 2.834 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.411 -10.161 4.323 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.855 -8.061 3.129 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.617 -8.881 3.702 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.155 -8.978 1.986 1.00 0.20 H new ATOM 228 N LEU A 15 -1.974 -10.631 1.099 1.00 0.17 N ATOM 229 CA LEU A 15 -3.079 -10.734 0.096 1.00 0.18 C ATOM 230 C LEU A 15 -4.063 -11.823 0.526 1.00 0.18 C ATOM 231 O LEU A 15 -5.264 -11.651 0.461 1.00 0.18 O ATOM 232 CB LEU A 15 -2.486 -11.087 -1.274 1.00 0.19 C ATOM 233 CG LEU A 15 -1.203 -10.282 -1.505 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.713 -10.501 -2.938 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.482 -8.792 -1.284 1.00 0.62 C ATOM 0 H LEU A 15 -1.045 -10.852 0.740 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.605 -9.781 0.032 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.271 -12.154 -1.324 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.209 -10.871 -2.061 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.438 -10.615 -0.803 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.200 -9.928 -3.102 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.510 -11.560 -3.095 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.479 -10.171 -3.639 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.568 -8.222 -1.449 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.249 -8.458 -1.983 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.828 -8.634 -0.263 1.00 0.62 H new ATOM 247 N ASP A 16 -3.565 -12.948 0.958 1.00 0.19 N ATOM 248 CA ASP A 16 -4.473 -14.047 1.386 1.00 0.21 C ATOM 249 C ASP A 16 -5.284 -13.599 2.604 1.00 0.20 C ATOM 250 O ASP A 16 -6.454 -13.907 2.729 1.00 0.20 O ATOM 251 CB ASP A 16 -3.645 -15.279 1.750 1.00 0.24 C ATOM 252 CG ASP A 16 -4.577 -16.399 2.215 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.383 -16.841 1.414 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.467 -16.795 3.364 1.00 1.09 O ATOM 0 H ASP A 16 -2.569 -13.153 1.033 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.153 -14.293 0.570 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.065 -15.608 0.888 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.933 -15.033 2.538 1.00 0.24 H new ATOM 259 N ALA A 17 -4.675 -12.878 3.504 1.00 0.22 N ATOM 260 CA ALA A 17 -5.417 -12.417 4.711 1.00 0.24 C ATOM 261 C ALA A 17 -6.289 -11.213 4.348 1.00 0.21 C ATOM 262 O ALA A 17 -7.191 -10.847 5.075 1.00 0.22 O ATOM 263 CB ALA A 17 -4.419 -12.014 5.800 1.00 0.30 C ATOM 0 H ALA A 17 -3.698 -12.589 3.456 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.050 -13.225 5.078 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.961 -11.677 6.683 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.799 -12.872 6.060 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.786 -11.206 5.432 1.00 0.30 H new ATOM 269 N ALA A 18 -6.029 -10.595 3.228 1.00 0.21 N ATOM 270 CA ALA A 18 -6.847 -9.417 2.823 1.00 0.22 C ATOM 271 C ALA A 18 -8.260 -9.879 2.456 1.00 0.21 C ATOM 272 O ALA A 18 -9.157 -9.079 2.278 1.00 0.24 O ATOM 273 CB ALA A 18 -6.200 -8.739 1.614 1.00 0.23 C ATOM 0 H ALA A 18 -5.287 -10.854 2.578 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.901 -8.709 3.650 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.798 -7.877 1.317 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.194 -8.410 1.876 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.146 -9.446 0.786 1.00 0.23 H new ATOM 279 N GLY A 19 -8.466 -11.163 2.342 1.00 0.22 N ATOM 280 CA GLY A 19 -9.822 -11.671 1.985 1.00 0.24 C ATOM 281 C GLY A 19 -10.121 -11.338 0.523 1.00 0.20 C ATOM 282 O GLY A 19 -9.526 -11.889 -0.383 1.00 0.28 O ATOM 0 H GLY A 19 -7.755 -11.881 2.480 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.871 -12.749 2.141 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.574 -11.220 2.633 1.00 0.24 H new ATOM 286 N ASP A 20 -11.041 -10.436 0.284 1.00 0.13 N ATOM 287 CA ASP A 20 -11.389 -10.055 -1.120 1.00 0.18 C ATOM 288 C ASP A 20 -11.562 -8.539 -1.207 1.00 0.15 C ATOM 289 O ASP A 20 -11.905 -8.004 -2.242 1.00 0.22 O ATOM 290 CB ASP A 20 -12.697 -10.741 -1.525 1.00 0.26 C ATOM 291 CG ASP A 20 -13.098 -10.290 -2.931 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.215 -9.927 -3.690 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.283 -10.317 -3.224 1.00 2.19 O ATOM 0 H ASP A 20 -11.569 -9.945 1.005 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.590 -10.370 -1.791 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.574 -11.824 -1.500 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.485 -10.493 -0.814 1.00 0.26 H new ATOM 298 N LYS A 21 -11.325 -7.839 -0.131 1.00 0.12 N ATOM 299 CA LYS A 21 -11.474 -6.361 -0.163 1.00 0.19 C ATOM 300 C LYS A 21 -10.366 -5.762 -1.022 1.00 0.15 C ATOM 301 O LYS A 21 -9.454 -6.445 -1.444 1.00 0.15 O ATOM 302 CB LYS A 21 -11.359 -5.819 1.258 1.00 0.27 C ATOM 303 CG LYS A 21 -12.660 -6.084 2.012 1.00 0.29 C ATOM 304 CD LYS A 21 -12.455 -5.750 3.491 1.00 0.30 C ATOM 305 CE LYS A 21 -13.808 -5.666 4.204 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.308 -7.044 4.476 1.00 1.90 N ATOM 0 H LYS A 21 -11.035 -8.228 0.766 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.445 -6.096 -0.582 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.524 -6.295 1.773 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.151 -4.749 1.235 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.466 -5.478 1.597 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.955 -7.127 1.899 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.834 -6.512 3.961 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.925 -4.803 3.588 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.706 -5.113 5.138 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.524 -5.122 3.588 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.227 -6.991 4.960 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.419 -7.557 3.578 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.627 -7.547 5.080 1.00 1.90 H new ATOM 320 N LEU A 22 -10.433 -4.489 -1.278 1.00 0.13 N ATOM 321 CA LEU A 22 -9.377 -3.850 -2.102 1.00 0.11 C ATOM 322 C LEU A 22 -8.055 -3.919 -1.315 1.00 0.10 C ATOM 323 O LEU A 22 -8.059 -4.111 -0.115 1.00 0.11 O ATOM 324 CB LEU A 22 -9.779 -2.382 -2.367 1.00 0.12 C ATOM 325 CG LEU A 22 -9.497 -1.950 -3.824 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.779 -0.427 -3.971 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.036 -2.257 -4.209 1.00 0.11 C ATOM 0 H LEU A 22 -11.172 -3.865 -0.953 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.256 -4.358 -3.059 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.840 -2.254 -2.151 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.234 -1.730 -1.685 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.150 -2.510 -4.493 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.581 -0.118 -4.997 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.822 -0.225 -3.725 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.132 0.130 -3.293 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.858 -1.945 -5.238 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.363 -1.715 -3.544 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.853 -3.328 -4.117 1.00 0.11 H new ATOM 339 N VAL A 23 -6.927 -3.757 -1.962 1.00 0.08 N ATOM 340 CA VAL A 23 -5.628 -3.807 -1.221 1.00 0.09 C ATOM 341 C VAL A 23 -4.643 -2.817 -1.848 1.00 0.08 C ATOM 342 O VAL A 23 -4.098 -3.059 -2.907 1.00 0.09 O ATOM 343 CB VAL A 23 -5.049 -5.222 -1.291 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.908 -5.359 -0.282 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.144 -6.240 -0.958 1.00 0.10 C ATOM 0 H VAL A 23 -6.849 -3.593 -2.966 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.797 -3.539 -0.178 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.671 -5.408 -2.296 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.496 -6.367 -0.333 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.127 -4.636 -0.516 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.286 -5.172 0.723 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.731 -7.248 -1.008 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.522 -6.052 0.047 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.959 -6.146 -1.676 1.00 0.10 H new ATOM 355 N VAL A 24 -4.402 -1.702 -1.192 1.00 0.08 N ATOM 356 CA VAL A 24 -3.442 -0.689 -1.735 1.00 0.08 C ATOM 357 C VAL A 24 -2.133 -0.785 -0.953 1.00 0.08 C ATOM 358 O VAL A 24 -2.121 -0.780 0.262 1.00 0.08 O ATOM 359 CB VAL A 24 -4.031 0.717 -1.594 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.244 1.694 -2.470 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.494 0.702 -2.040 1.00 0.09 C ATOM 0 H VAL A 24 -4.832 -1.452 -0.301 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.257 -0.885 -2.791 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.968 1.033 -0.553 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.665 2.694 -2.368 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.201 1.706 -2.155 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.305 1.379 -3.512 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.915 1.702 -1.940 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.554 0.385 -3.081 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.057 0.007 -1.417 1.00 0.09 H new ATOM 371 N VAL A 25 -1.033 -0.892 -1.649 1.00 0.09 N ATOM 372 CA VAL A 25 0.298 -1.014 -0.974 1.00 0.09 C ATOM 373 C VAL A 25 1.067 0.300 -1.112 1.00 0.10 C ATOM 374 O VAL A 25 1.034 0.940 -2.141 1.00 0.17 O ATOM 375 CB VAL A 25 1.098 -2.134 -1.651 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.233 -2.591 -0.732 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.170 -3.315 -1.943 1.00 0.09 C ATOM 0 H VAL A 25 -0.997 -0.900 -2.668 1.00 0.09 H new ATOM 0 HA VAL A 25 0.152 -1.241 0.082 1.00 0.09 H new ATOM 0 HB VAL A 25 1.521 -1.761 -2.584 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.797 -3.387 -1.219 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.895 -1.750 -0.526 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.816 -2.962 0.204 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.736 -4.112 -2.424 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.254 -3.684 -1.009 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.634 -2.991 -2.604 1.00 0.09 H new ATOM 387 N ASP A 26 1.764 0.693 -0.078 1.00 0.08 N ATOM 388 CA ASP A 26 2.555 1.962 -0.122 1.00 0.08 C ATOM 389 C ASP A 26 4.049 1.631 -0.093 1.00 0.08 C ATOM 390 O ASP A 26 4.605 1.324 0.943 1.00 0.09 O ATOM 391 CB ASP A 26 2.200 2.818 1.096 1.00 0.09 C ATOM 392 CG ASP A 26 3.117 4.042 1.150 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.345 4.633 0.108 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.577 4.365 2.233 1.00 0.96 O ATOM 0 H ASP A 26 1.820 0.185 0.805 1.00 0.08 H new ATOM 0 HA ASP A 26 2.322 2.509 -1.036 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.158 3.134 1.040 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.306 2.231 2.008 1.00 0.09 H new ATOM 399 N PHE A 27 4.706 1.704 -1.217 1.00 0.08 N ATOM 400 CA PHE A 27 6.165 1.409 -1.250 1.00 0.09 C ATOM 401 C PHE A 27 6.917 2.695 -0.904 1.00 0.11 C ATOM 402 O PHE A 27 7.408 3.387 -1.776 1.00 0.13 O ATOM 403 CB PHE A 27 6.556 0.967 -2.663 1.00 0.10 C ATOM 404 CG PHE A 27 6.182 -0.481 -2.887 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.851 -0.834 -3.189 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.172 -1.477 -2.811 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.514 -2.186 -3.412 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.837 -2.825 -3.035 1.00 0.21 C ATOM 409 CZ PHE A 27 5.508 -3.180 -3.335 1.00 0.23 C ATOM 0 H PHE A 27 4.294 1.956 -2.116 1.00 0.08 H new ATOM 0 HA PHE A 27 6.410 0.619 -0.540 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.055 1.596 -3.399 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.628 1.098 -2.808 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.090 -0.070 -3.250 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.192 -1.206 -2.580 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.494 -2.458 -3.642 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.599 -3.588 -2.977 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.251 -4.215 -3.506 1.00 0.23 H new ATOM 419 N SER A 28 6.993 3.025 0.363 1.00 0.11 N ATOM 420 CA SER A 28 7.698 4.275 0.792 1.00 0.12 C ATOM 421 C SER A 28 8.944 3.916 1.596 1.00 0.10 C ATOM 422 O SER A 28 8.999 2.898 2.257 1.00 0.11 O ATOM 423 CB SER A 28 6.764 5.106 1.673 1.00 0.17 C ATOM 424 OG SER A 28 5.690 5.601 0.883 1.00 1.03 O ATOM 0 H SER A 28 6.593 2.477 1.125 1.00 0.11 H new ATOM 0 HA SER A 28 7.985 4.845 -0.092 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.379 4.497 2.490 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.311 5.934 2.123 1.00 0.17 H new ATOM 0 HG SER A 28 5.016 6.009 1.466 1.00 1.03 H new ATOM 430 N ALA A 29 9.943 4.755 1.559 1.00 0.10 N ATOM 431 CA ALA A 29 11.187 4.483 2.334 1.00 0.15 C ATOM 432 C ALA A 29 11.063 5.161 3.705 1.00 0.18 C ATOM 433 O ALA A 29 10.793 6.341 3.802 1.00 0.26 O ATOM 434 CB ALA A 29 12.391 5.044 1.563 1.00 0.19 C ATOM 0 H ALA A 29 9.951 5.622 1.022 1.00 0.10 H new ATOM 0 HA ALA A 29 11.329 3.411 2.473 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.305 4.849 2.124 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.454 4.563 0.587 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.269 6.119 1.430 1.00 0.19 H new ATOM 440 N THR A 30 11.246 4.418 4.761 1.00 0.18 N ATOM 441 CA THR A 30 11.123 5.010 6.126 1.00 0.23 C ATOM 442 C THR A 30 12.229 6.042 6.362 1.00 0.26 C ATOM 443 O THR A 30 12.104 6.917 7.195 1.00 0.31 O ATOM 444 CB THR A 30 11.244 3.898 7.171 1.00 0.26 C ATOM 445 OG1 THR A 30 11.031 4.440 8.467 1.00 0.32 O ATOM 446 CG2 THR A 30 12.639 3.277 7.098 1.00 0.28 C ATOM 0 H THR A 30 11.476 3.424 4.739 1.00 0.18 H new ATOM 0 HA THR A 30 10.154 5.502 6.211 1.00 0.23 H new ATOM 0 HB THR A 30 10.496 3.130 6.972 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.107 3.728 9.136 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.724 2.485 7.842 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.800 2.859 6.104 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.389 4.043 7.295 1.00 0.28 H new ATOM 454 N TRP A 31 13.317 5.942 5.648 1.00 0.26 N ATOM 455 CA TRP A 31 14.435 6.911 5.845 1.00 0.32 C ATOM 456 C TRP A 31 14.259 8.118 4.923 1.00 0.32 C ATOM 457 O TRP A 31 14.893 9.139 5.097 1.00 0.36 O ATOM 458 CB TRP A 31 15.758 6.221 5.511 1.00 0.34 C ATOM 459 CG TRP A 31 15.811 5.910 4.050 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.453 4.732 3.493 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.232 6.773 2.958 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.641 4.810 2.123 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.115 6.049 1.742 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.705 8.105 2.903 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.456 6.628 0.511 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.047 8.690 1.669 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.923 7.953 0.474 1.00 0.40 C ATOM 0 H TRP A 31 13.481 5.231 4.936 1.00 0.26 H new ATOM 0 HA TRP A 31 14.434 7.249 6.881 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.594 6.864 5.786 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.857 5.304 6.091 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.081 3.871 4.028 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.452 4.045 1.475 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.804 8.677 3.814 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.360 6.060 -0.402 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.406 9.708 1.638 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.187 8.406 -0.470 1.00 0.40 H new ATOM 478 N CYS A 32 13.425 8.001 3.927 1.00 0.28 N ATOM 479 CA CYS A 32 13.235 9.132 2.973 1.00 0.30 C ATOM 480 C CYS A 32 12.059 10.005 3.421 1.00 0.31 C ATOM 481 O CYS A 32 10.978 9.526 3.701 1.00 0.29 O ATOM 482 CB CYS A 32 12.982 8.554 1.577 1.00 0.28 C ATOM 483 SG CYS A 32 13.570 9.719 0.322 1.00 0.32 S ATOM 0 H CYS A 32 12.866 7.171 3.732 1.00 0.28 H new ATOM 0 HA CYS A 32 14.127 9.758 2.950 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.495 7.598 1.470 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.918 8.362 1.439 1.00 0.28 H new ATOM 488 N GLY A 33 12.282 11.287 3.498 1.00 0.34 N ATOM 489 CA GLY A 33 11.213 12.224 3.938 1.00 0.36 C ATOM 490 C GLY A 33 10.072 12.304 2.911 1.00 0.35 C ATOM 491 O GLY A 33 8.937 12.060 3.256 1.00 0.33 O ATOM 0 H GLY A 33 13.172 11.731 3.271 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.816 11.898 4.899 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.638 13.216 4.089 1.00 0.36 H new ATOM 495 N PRO A 34 10.386 12.678 1.690 1.00 0.37 N ATOM 496 CA PRO A 34 9.360 12.828 0.636 1.00 0.38 C ATOM 497 C PRO A 34 8.422 11.615 0.582 1.00 0.35 C ATOM 498 O PRO A 34 7.243 11.751 0.321 1.00 0.36 O ATOM 499 CB PRO A 34 10.172 12.992 -0.668 1.00 0.42 C ATOM 500 CG PRO A 34 11.618 13.361 -0.244 1.00 0.44 C ATOM 501 CD PRO A 34 11.767 12.969 1.244 1.00 0.40 C ATOM 0 HA PRO A 34 8.702 13.678 0.816 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.162 12.070 -1.250 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.742 13.771 -1.297 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.347 12.831 -0.857 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.800 14.427 -0.382 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.414 12.100 1.363 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.210 13.778 1.825 1.00 0.40 H new ATOM 509 N ALA A 35 8.920 10.437 0.826 1.00 0.33 N ATOM 510 CA ALA A 35 8.028 9.244 0.783 1.00 0.32 C ATOM 511 C ALA A 35 7.197 9.201 2.066 1.00 0.39 C ATOM 512 O ALA A 35 5.983 9.251 2.038 1.00 0.81 O ATOM 513 CB ALA A 35 8.875 7.973 0.674 1.00 0.36 C ATOM 0 H ALA A 35 9.897 10.248 1.051 1.00 0.33 H new ATOM 0 HA ALA A 35 7.368 9.307 -0.082 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.221 7.102 0.643 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.473 8.011 -0.237 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.535 7.900 1.538 1.00 0.36 H new ATOM 519 N LYS A 36 7.849 9.113 3.189 1.00 0.30 N ATOM 520 CA LYS A 36 7.121 9.073 4.487 1.00 0.28 C ATOM 521 C LYS A 36 6.283 10.343 4.655 1.00 0.24 C ATOM 522 O LYS A 36 5.368 10.391 5.454 1.00 0.25 O ATOM 523 CB LYS A 36 8.147 8.983 5.621 1.00 0.35 C ATOM 524 CG LYS A 36 7.444 9.105 6.977 1.00 0.38 C ATOM 525 CD LYS A 36 8.438 8.775 8.093 1.00 0.49 C ATOM 526 CE LYS A 36 7.759 8.952 9.451 1.00 1.22 C ATOM 527 NZ LYS A 36 7.323 10.368 9.607 1.00 1.92 N ATOM 0 H LYS A 36 8.865 9.067 3.265 1.00 0.30 H new ATOM 0 HA LYS A 36 6.458 8.208 4.511 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.682 8.035 5.564 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.889 9.774 5.515 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.054 10.114 7.108 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.592 8.426 7.020 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.796 7.751 7.984 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.309 9.426 8.023 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.900 8.285 9.530 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.447 8.682 10.252 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.211 10.588 10.617 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.038 10.999 9.192 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.415 10.507 9.120 1.00 1.92 H new ATOM 541 N MET A 37 6.594 11.375 3.925 1.00 0.23 N ATOM 542 CA MET A 37 5.820 12.640 4.062 1.00 0.24 C ATOM 543 C MET A 37 4.353 12.396 3.716 1.00 0.20 C ATOM 544 O MET A 37 3.482 13.145 4.110 1.00 0.20 O ATOM 545 CB MET A 37 6.397 13.705 3.124 1.00 0.29 C ATOM 546 CG MET A 37 5.648 15.032 3.312 1.00 1.31 C ATOM 547 SD MET A 37 4.144 15.033 2.304 1.00 2.12 S ATOM 548 CE MET A 37 3.273 16.344 3.200 1.00 3.13 C ATOM 0 H MET A 37 7.349 11.399 3.240 1.00 0.23 H new ATOM 0 HA MET A 37 5.891 12.988 5.093 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.458 13.845 3.329 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.313 13.374 2.089 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.393 15.171 4.363 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.289 15.866 3.027 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.300 16.515 2.740 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.136 16.045 4.239 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.859 17.262 3.161 1.00 3.13 H new ATOM 558 N ILE A 38 4.068 11.363 2.964 1.00 0.18 N ATOM 559 CA ILE A 38 2.653 11.085 2.573 1.00 0.15 C ATOM 560 C ILE A 38 2.040 10.044 3.513 1.00 0.16 C ATOM 561 O ILE A 38 0.977 9.517 3.253 1.00 0.16 O ATOM 562 CB ILE A 38 2.629 10.553 1.133 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.689 11.303 0.318 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.238 10.779 0.510 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.553 10.964 -1.173 1.00 0.28 C ATOM 0 H ILE A 38 4.754 10.700 2.604 1.00 0.18 H new ATOM 0 HA ILE A 38 2.072 12.005 2.641 1.00 0.15 H new ATOM 0 HB ILE A 38 2.842 9.484 1.131 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.578 12.377 0.465 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.685 11.034 0.670 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.231 10.398 -0.511 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.486 10.253 1.098 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.012 11.845 0.502 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.312 11.504 -1.740 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.687 9.892 -1.316 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.563 11.256 -1.524 1.00 0.28 H new ATOM 577 N LYS A 39 2.689 9.730 4.607 1.00 0.19 N ATOM 578 CA LYS A 39 2.094 8.717 5.523 1.00 0.22 C ATOM 579 C LYS A 39 0.847 9.251 6.264 1.00 0.20 C ATOM 580 O LYS A 39 -0.028 8.469 6.568 1.00 0.21 O ATOM 581 CB LYS A 39 3.139 8.131 6.509 1.00 0.31 C ATOM 582 CG LYS A 39 3.439 9.061 7.709 1.00 0.34 C ATOM 583 CD LYS A 39 3.999 8.237 8.881 1.00 0.45 C ATOM 584 CE LYS A 39 2.923 7.282 9.442 1.00 1.16 C ATOM 585 NZ LYS A 39 3.134 5.919 8.875 1.00 1.62 N ATOM 0 H LYS A 39 3.584 10.122 4.898 1.00 0.19 H new ATOM 0 HA LYS A 39 1.757 7.896 4.890 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.778 7.173 6.883 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.066 7.934 5.970 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.156 9.827 7.416 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.530 9.577 8.017 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.863 7.663 8.548 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.345 8.906 9.669 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.980 7.249 10.530 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.928 7.645 9.186 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.249 5.580 8.447 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.877 5.956 8.149 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.423 5.269 9.633 1.00 1.62 H new ATOM 599 N PRO A 40 0.766 10.537 6.572 1.00 0.20 N ATOM 600 CA PRO A 40 -0.407 11.041 7.302 1.00 0.21 C ATOM 601 C PRO A 40 -1.666 10.877 6.442 1.00 0.17 C ATOM 602 O PRO A 40 -2.762 11.172 6.870 1.00 0.20 O ATOM 603 CB PRO A 40 -0.093 12.522 7.604 1.00 0.24 C ATOM 604 CG PRO A 40 1.348 12.798 7.092 1.00 0.25 C ATOM 605 CD PRO A 40 1.767 11.580 6.239 1.00 0.21 C ATOM 0 HA PRO A 40 -0.600 10.495 8.225 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.810 13.176 7.108 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.166 12.721 8.673 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.378 13.712 6.499 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.034 12.937 7.928 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.756 11.817 5.175 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.778 11.253 6.482 1.00 0.21 H new ATOM 613 N PHE A 41 -1.509 10.399 5.232 1.00 0.14 N ATOM 614 CA PHE A 41 -2.684 10.192 4.328 1.00 0.14 C ATOM 615 C PHE A 41 -2.894 8.691 4.127 1.00 0.11 C ATOM 616 O PHE A 41 -3.765 8.093 4.722 1.00 0.13 O ATOM 617 CB PHE A 41 -2.409 10.858 2.974 1.00 0.15 C ATOM 618 CG PHE A 41 -2.644 12.343 3.093 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.626 13.181 3.582 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.889 12.885 2.724 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.851 14.566 3.701 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.116 14.270 2.843 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.097 15.111 3.332 1.00 0.27 C ATOM 0 H PHE A 41 -0.609 10.141 4.828 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.577 10.634 4.771 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.383 10.664 2.662 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.060 10.435 2.209 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.672 12.762 3.866 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.670 12.240 2.350 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.069 15.210 4.075 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.071 14.687 2.559 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.271 16.173 3.424 1.00 0.27 H new ATOM 633 N PHE A 42 -2.097 8.086 3.290 1.00 0.10 N ATOM 634 CA PHE A 42 -2.230 6.622 3.023 1.00 0.11 C ATOM 635 C PHE A 42 -2.511 5.856 4.325 1.00 0.11 C ATOM 636 O PHE A 42 -3.510 5.176 4.451 1.00 0.12 O ATOM 637 CB PHE A 42 -0.921 6.118 2.406 1.00 0.13 C ATOM 638 CG PHE A 42 -0.952 4.613 2.290 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.622 4.008 1.214 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.303 3.816 3.254 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.646 2.608 1.096 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.329 2.414 3.138 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.001 1.809 2.059 1.00 0.10 C ATOM 0 H PHE A 42 -1.349 8.548 2.772 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.063 6.455 2.340 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.778 6.564 1.422 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.076 6.426 3.022 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.120 4.620 0.476 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.214 4.281 4.081 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.159 2.145 0.266 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.167 1.802 3.877 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.022 0.733 1.970 1.00 0.10 H new ATOM 653 N HIS A 43 -1.638 5.953 5.287 1.00 0.14 N ATOM 654 CA HIS A 43 -1.855 5.222 6.570 1.00 0.16 C ATOM 655 C HIS A 43 -3.084 5.795 7.297 1.00 0.16 C ATOM 656 O HIS A 43 -3.784 5.085 7.991 1.00 0.18 O ATOM 657 CB HIS A 43 -0.570 5.325 7.426 1.00 0.21 C ATOM 658 CG HIS A 43 -0.875 5.245 8.901 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.791 4.062 9.618 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.290 6.199 9.796 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.151 4.333 10.887 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.465 5.621 11.049 1.00 0.39 N ATOM 0 H HIS A 43 -0.782 6.507 5.242 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.056 4.167 6.381 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.115 4.523 7.152 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.063 6.265 7.210 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.456 7.240 9.563 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.182 3.598 11.678 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.768 6.082 11.907 1.00 0.39 H new ATOM 670 N SER A 44 -3.357 7.060 7.144 1.00 0.20 N ATOM 671 CA SER A 44 -4.546 7.646 7.830 1.00 0.25 C ATOM 672 C SER A 44 -5.837 7.027 7.272 1.00 0.20 C ATOM 673 O SER A 44 -6.769 6.762 8.003 1.00 0.21 O ATOM 674 CB SER A 44 -4.567 9.162 7.622 1.00 0.34 C ATOM 675 OG SER A 44 -3.649 9.765 8.525 1.00 0.97 O ATOM 0 H SER A 44 -2.814 7.712 6.578 1.00 0.20 H new ATOM 0 HA SER A 44 -4.482 7.429 8.896 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.299 9.405 6.594 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.571 9.551 7.790 1.00 0.34 H new ATOM 0 HG SER A 44 -3.327 10.610 8.148 1.00 0.97 H new ATOM 681 N LEU A 45 -5.906 6.801 5.984 1.00 0.18 N ATOM 682 CA LEU A 45 -7.149 6.208 5.403 1.00 0.18 C ATOM 683 C LEU A 45 -7.561 4.979 6.218 1.00 0.16 C ATOM 684 O LEU A 45 -8.664 4.487 6.094 1.00 0.23 O ATOM 685 CB LEU A 45 -6.899 5.779 3.948 1.00 0.19 C ATOM 686 CG LEU A 45 -6.476 6.979 3.083 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.363 6.522 1.625 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.515 8.110 3.188 1.00 0.50 C ATOM 0 H LEU A 45 -5.162 6.999 5.315 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.941 6.956 5.431 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.123 5.014 3.919 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.804 5.331 3.537 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.516 7.356 3.435 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.064 7.365 1.002 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.617 5.731 1.548 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.328 6.145 1.286 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.201 8.951 2.570 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.483 7.748 2.842 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.598 8.433 4.226 1.00 0.50 H new ATOM 700 N SER A 46 -6.689 4.480 7.047 1.00 0.20 N ATOM 701 CA SER A 46 -7.043 3.282 7.862 1.00 0.25 C ATOM 702 C SER A 46 -8.286 3.576 8.708 1.00 0.17 C ATOM 703 O SER A 46 -9.029 2.683 9.063 1.00 0.15 O ATOM 704 CB SER A 46 -5.876 2.928 8.785 1.00 0.36 C ATOM 705 OG SER A 46 -4.792 2.441 8.005 1.00 0.51 O ATOM 0 H SER A 46 -5.749 4.847 7.197 1.00 0.20 H new ATOM 0 HA SER A 46 -7.250 2.445 7.195 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.566 3.806 9.351 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.186 2.174 9.509 1.00 0.36 H new ATOM 0 HG SER A 46 -4.174 3.176 7.810 1.00 0.51 H new ATOM 711 N GLU A 47 -8.512 4.820 9.048 1.00 0.21 N ATOM 712 CA GLU A 47 -9.703 5.170 9.886 1.00 0.21 C ATOM 713 C GLU A 47 -10.854 5.646 8.997 1.00 0.18 C ATOM 714 O GLU A 47 -12.008 5.562 9.368 1.00 0.18 O ATOM 715 CB GLU A 47 -9.326 6.293 10.856 1.00 0.32 C ATOM 716 CG GLU A 47 -8.118 5.868 11.692 1.00 0.39 C ATOM 717 CD GLU A 47 -8.541 4.789 12.689 1.00 1.24 C ATOM 718 OE1 GLU A 47 -9.618 4.917 13.248 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.782 3.852 12.875 1.00 2.00 O ATOM 0 H GLU A 47 -7.924 5.610 8.782 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.019 4.285 10.439 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.095 7.203 10.302 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.169 6.522 11.508 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.329 5.489 11.043 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.709 6.728 12.222 1.00 0.39 H new ATOM 726 N LYS A 48 -10.558 6.155 7.830 1.00 0.18 N ATOM 727 CA LYS A 48 -11.648 6.643 6.933 1.00 0.17 C ATOM 728 C LYS A 48 -12.119 5.505 6.025 1.00 0.15 C ATOM 729 O LYS A 48 -13.198 5.554 5.466 1.00 0.18 O ATOM 730 CB LYS A 48 -11.123 7.800 6.078 1.00 0.21 C ATOM 731 CG LYS A 48 -12.304 8.560 5.465 1.00 0.26 C ATOM 732 CD LYS A 48 -11.794 9.795 4.709 1.00 1.09 C ATOM 733 CE LYS A 48 -11.144 10.791 5.685 1.00 1.51 C ATOM 734 NZ LYS A 48 -11.315 12.175 5.159 1.00 2.16 N ATOM 0 H LYS A 48 -9.613 6.254 7.460 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.487 6.988 7.537 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.521 8.473 6.688 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.474 7.418 5.290 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.854 7.908 4.786 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.999 8.863 6.248 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.070 9.493 3.952 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.620 10.276 4.186 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -11.602 10.704 6.670 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.085 10.563 5.805 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.877 12.852 5.815 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -10.859 12.251 4.228 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.329 12.388 5.066 1.00 2.16 H new ATOM 748 N TYR A 49 -11.320 4.479 5.876 1.00 0.13 N ATOM 749 CA TYR A 49 -11.710 3.324 5.009 1.00 0.13 C ATOM 750 C TYR A 49 -11.427 2.016 5.749 1.00 0.11 C ATOM 751 O TYR A 49 -10.572 1.243 5.364 1.00 0.11 O ATOM 752 CB TYR A 49 -10.900 3.364 3.705 1.00 0.15 C ATOM 753 CG TYR A 49 -11.525 4.353 2.752 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.704 4.008 2.066 1.00 0.19 C ATOM 755 CD2 TYR A 49 -10.936 5.616 2.549 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.295 4.922 1.177 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.525 6.531 1.659 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.706 6.185 0.971 1.00 0.21 C ATOM 759 OH TYR A 49 -13.286 7.083 0.099 1.00 0.24 O ATOM 0 H TYR A 49 -10.407 4.391 6.321 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.773 3.386 4.775 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.868 3.647 3.914 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.873 2.373 3.251 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.155 3.039 2.223 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.032 5.882 3.077 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.201 4.656 0.652 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.073 7.499 1.502 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.754 7.905 0.074 1.00 0.24 H new ATOM 769 N SER A 50 -12.146 1.761 6.805 1.00 0.12 N ATOM 770 CA SER A 50 -11.929 0.502 7.566 1.00 0.13 C ATOM 771 C SER A 50 -12.371 -0.687 6.709 1.00 0.13 C ATOM 772 O SER A 50 -12.230 -1.829 7.093 1.00 0.14 O ATOM 773 CB SER A 50 -12.755 0.542 8.851 1.00 0.16 C ATOM 774 OG SER A 50 -14.138 0.542 8.520 1.00 0.17 O ATOM 0 H SER A 50 -12.875 2.371 7.174 1.00 0.12 H new ATOM 0 HA SER A 50 -10.873 0.398 7.816 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.519 -0.319 9.476 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.507 1.433 9.429 1.00 0.16 H new ATOM 0 HG SER A 50 -14.671 0.566 9.342 1.00 0.17 H new ATOM 780 N ASN A 51 -12.917 -0.421 5.550 1.00 0.13 N ATOM 781 CA ASN A 51 -13.387 -1.524 4.659 1.00 0.15 C ATOM 782 C ASN A 51 -12.318 -1.843 3.610 1.00 0.13 C ATOM 783 O ASN A 51 -12.517 -2.678 2.750 1.00 0.14 O ATOM 784 CB ASN A 51 -14.669 -1.082 3.954 1.00 0.17 C ATOM 785 CG ASN A 51 -15.245 -2.253 3.154 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.939 -2.417 1.989 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.070 -3.080 3.735 1.00 0.32 N ATOM 0 H ASN A 51 -13.058 0.519 5.180 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.576 -2.415 5.257 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.398 -0.735 4.687 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.460 -0.243 3.290 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.459 -3.865 3.212 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.326 -2.942 4.713 1.00 0.32 H new ATOM 794 N VAL A 52 -11.189 -1.181 3.674 1.00 0.11 N ATOM 795 CA VAL A 52 -10.092 -1.432 2.683 1.00 0.10 C ATOM 796 C VAL A 52 -8.844 -1.908 3.417 1.00 0.10 C ATOM 797 O VAL A 52 -8.596 -1.546 4.549 1.00 0.11 O ATOM 798 CB VAL A 52 -9.765 -0.132 1.953 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.586 -0.356 0.997 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.995 0.330 1.168 1.00 0.12 C ATOM 0 H VAL A 52 -10.977 -0.471 4.375 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.416 -2.190 1.970 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.490 0.635 2.678 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.356 0.575 0.478 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.714 -0.680 1.565 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.849 -1.122 0.268 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.765 1.258 0.645 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.273 -0.435 0.443 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.824 0.496 1.856 1.00 0.12 H new ATOM 810 N ILE A 53 -8.054 -2.725 2.775 1.00 0.09 N ATOM 811 CA ILE A 53 -6.812 -3.243 3.417 1.00 0.09 C ATOM 812 C ILE A 53 -5.611 -2.422 2.929 1.00 0.09 C ATOM 813 O ILE A 53 -5.363 -2.315 1.746 1.00 0.14 O ATOM 814 CB ILE A 53 -6.619 -4.710 3.014 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.961 -5.471 3.049 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.600 -5.383 3.941 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.771 -5.166 4.328 1.00 0.17 C ATOM 0 H ILE A 53 -8.217 -3.059 1.825 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.893 -3.164 4.501 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.239 -4.738 1.993 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.552 -5.202 2.174 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.771 -6.543 2.988 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.471 -6.424 3.645 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.644 -4.864 3.869 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.959 -5.340 4.969 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.707 -5.724 4.308 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.192 -5.460 5.204 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.986 -4.099 4.377 1.00 0.17 H new ATOM 829 N PHE A 54 -4.863 -1.844 3.835 1.00 0.08 N ATOM 830 CA PHE A 54 -3.669 -1.027 3.445 1.00 0.08 C ATOM 831 C PHE A 54 -2.398 -1.756 3.881 1.00 0.08 C ATOM 832 O PHE A 54 -2.263 -2.157 5.020 1.00 0.11 O ATOM 833 CB PHE A 54 -3.736 0.332 4.145 1.00 0.08 C ATOM 834 CG PHE A 54 -4.971 1.070 3.684 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.037 1.567 2.369 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.055 1.259 4.564 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.186 2.256 1.933 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.204 1.947 4.127 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.269 2.446 2.811 1.00 0.09 C ATOM 0 H PHE A 54 -5.029 -1.903 4.840 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.659 -0.883 2.365 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.762 0.196 5.226 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.844 0.915 3.918 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.207 1.420 1.694 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.005 0.877 5.573 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.236 2.639 0.924 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.035 2.092 4.801 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.150 2.974 2.476 1.00 0.09 H new ATOM 849 N LEU A 55 -1.468 -1.932 2.978 1.00 0.08 N ATOM 850 CA LEU A 55 -0.192 -2.639 3.312 1.00 0.09 C ATOM 851 C LEU A 55 0.955 -1.623 3.296 1.00 0.09 C ATOM 852 O LEU A 55 0.784 -0.482 2.916 1.00 0.10 O ATOM 853 CB LEU A 55 0.085 -3.722 2.256 1.00 0.10 C ATOM 854 CG LEU A 55 -0.721 -4.996 2.550 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.207 -4.661 2.752 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.564 -5.959 1.366 1.00 0.12 C ATOM 0 H LEU A 55 -1.538 -1.613 2.012 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.273 -3.100 4.296 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.173 -3.345 1.266 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.149 -3.956 2.241 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.347 -5.457 3.464 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.761 -5.576 2.959 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.314 -3.974 3.591 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.601 -4.195 1.849 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.131 -6.869 1.560 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.938 -5.484 0.459 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.489 -6.208 1.237 1.00 0.12 H new ATOM 868 N GLU A 56 2.128 -2.037 3.695 1.00 0.09 N ATOM 869 CA GLU A 56 3.300 -1.109 3.696 1.00 0.09 C ATOM 870 C GLU A 56 4.549 -1.906 3.319 1.00 0.09 C ATOM 871 O GLU A 56 4.690 -3.055 3.687 1.00 0.10 O ATOM 872 CB GLU A 56 3.474 -0.504 5.094 1.00 0.09 C ATOM 873 CG GLU A 56 4.423 0.695 5.024 1.00 0.11 C ATOM 874 CD GLU A 56 4.394 1.447 6.356 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.494 2.249 6.541 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.273 1.207 7.167 1.00 1.24 O ATOM 0 H GLU A 56 2.327 -2.982 4.022 1.00 0.09 H new ATOM 0 HA GLU A 56 3.142 -0.303 2.979 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.507 -0.192 5.488 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.870 -1.254 5.778 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.436 0.358 4.806 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.127 1.360 4.212 1.00 0.11 H new ATOM 883 N VAL A 57 5.449 -1.318 2.570 1.00 0.08 N ATOM 884 CA VAL A 57 6.683 -2.058 2.151 1.00 0.08 C ATOM 885 C VAL A 57 7.913 -1.151 2.257 1.00 0.09 C ATOM 886 O VAL A 57 7.896 -0.007 1.841 1.00 0.14 O ATOM 887 CB VAL A 57 6.538 -2.505 0.693 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.811 -3.237 0.265 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.338 -3.446 0.544 1.00 0.09 C ATOM 0 H VAL A 57 5.384 -0.358 2.230 1.00 0.08 H new ATOM 0 HA VAL A 57 6.808 -2.920 2.806 1.00 0.08 H new ATOM 0 HB VAL A 57 6.381 -1.629 0.064 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.715 -3.558 -0.772 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.665 -2.567 0.360 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.961 -4.108 0.902 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.246 -3.756 -0.497 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.484 -4.324 1.173 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.429 -2.928 0.850 1.00 0.09 H new ATOM 899 N ASP A 58 8.990 -1.674 2.790 1.00 0.09 N ATOM 900 CA ASP A 58 10.251 -0.879 2.905 1.00 0.09 C ATOM 901 C ASP A 58 11.148 -1.243 1.720 1.00 0.10 C ATOM 902 O ASP A 58 11.793 -2.271 1.707 1.00 0.11 O ATOM 903 CB ASP A 58 10.963 -1.227 4.216 1.00 0.11 C ATOM 904 CG ASP A 58 12.039 -0.177 4.504 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.702 0.995 4.536 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.182 -0.563 4.686 1.00 1.06 O ATOM 0 H ASP A 58 9.049 -2.625 3.153 1.00 0.09 H new ATOM 0 HA ASP A 58 10.029 0.188 2.900 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.244 -1.262 5.035 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.414 -2.217 4.146 1.00 0.11 H new ATOM 911 N VAL A 59 11.168 -0.417 0.713 1.00 0.12 N ATOM 912 CA VAL A 59 11.992 -0.717 -0.494 1.00 0.15 C ATOM 913 C VAL A 59 13.450 -1.004 -0.118 1.00 0.18 C ATOM 914 O VAL A 59 14.228 -1.415 -0.953 1.00 0.27 O ATOM 915 CB VAL A 59 11.941 0.480 -1.442 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.552 0.570 -2.073 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.227 1.764 -0.659 1.00 0.22 C ATOM 0 H VAL A 59 10.647 0.459 0.672 1.00 0.12 H new ATOM 0 HA VAL A 59 11.585 -1.605 -0.977 1.00 0.15 H new ATOM 0 HB VAL A 59 12.690 0.356 -2.224 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.514 1.424 -2.750 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.346 -0.344 -2.630 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.804 0.694 -1.290 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.191 2.618 -1.335 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.478 1.888 0.123 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.217 1.701 -0.206 1.00 0.22 H new ATOM 927 N ASP A 60 13.838 -0.787 1.117 1.00 0.16 N ATOM 928 CA ASP A 60 15.266 -1.040 1.517 1.00 0.18 C ATOM 929 C ASP A 60 15.391 -2.343 2.311 1.00 0.17 C ATOM 930 O ASP A 60 16.282 -3.135 2.076 1.00 0.18 O ATOM 931 CB ASP A 60 15.763 0.113 2.385 1.00 0.21 C ATOM 932 CG ASP A 60 15.906 1.372 1.529 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.969 1.560 0.963 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.952 2.129 1.458 1.00 1.08 O ATOM 0 H ASP A 60 13.233 -0.447 1.865 1.00 0.16 H new ATOM 0 HA ASP A 60 15.865 -1.120 0.610 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.065 0.294 3.202 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.722 -0.144 2.835 1.00 0.21 H new ATOM 939 N ASP A 61 14.527 -2.570 3.262 1.00 0.17 N ATOM 940 CA ASP A 61 14.622 -3.816 4.079 1.00 0.17 C ATOM 941 C ASP A 61 13.778 -4.922 3.431 1.00 0.16 C ATOM 942 O ASP A 61 13.832 -6.067 3.834 1.00 0.18 O ATOM 943 CB ASP A 61 14.131 -3.507 5.503 1.00 0.19 C ATOM 944 CG ASP A 61 13.741 -4.797 6.236 1.00 0.22 C ATOM 945 OD1 ASP A 61 12.629 -5.257 6.034 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.562 -5.302 6.982 1.00 1.12 O ATOM 0 H ASP A 61 13.758 -1.947 3.510 1.00 0.17 H new ATOM 0 HA ASP A 61 15.654 -4.164 4.127 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.914 -2.990 6.058 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.274 -2.835 5.459 1.00 0.19 H new ATOM 951 N ALA A 62 13.013 -4.588 2.420 1.00 0.16 N ATOM 952 CA ALA A 62 12.172 -5.613 1.718 1.00 0.16 C ATOM 953 C ALA A 62 12.499 -5.573 0.224 1.00 0.16 C ATOM 954 O ALA A 62 11.623 -5.586 -0.617 1.00 0.15 O ATOM 955 CB ALA A 62 10.691 -5.293 1.924 1.00 0.17 C ATOM 0 H ALA A 62 12.933 -3.642 2.047 1.00 0.16 H new ATOM 0 HA ALA A 62 12.381 -6.604 2.121 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.083 -6.039 1.413 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.461 -5.305 2.989 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.472 -4.306 1.517 1.00 0.17 H new ATOM 961 N GLN A 63 13.760 -5.518 -0.108 1.00 0.20 N ATOM 962 CA GLN A 63 14.163 -5.467 -1.542 1.00 0.22 C ATOM 963 C GLN A 63 13.580 -6.665 -2.295 1.00 0.20 C ATOM 964 O GLN A 63 13.509 -6.670 -3.507 1.00 0.20 O ATOM 965 CB GLN A 63 15.689 -5.499 -1.638 1.00 0.29 C ATOM 966 CG GLN A 63 16.281 -4.439 -0.706 1.00 0.90 C ATOM 967 CD GLN A 63 17.751 -4.211 -1.060 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.289 -3.148 -0.820 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.429 -5.171 -1.627 1.00 2.22 N ATOM 0 H GLN A 63 14.533 -5.506 0.557 1.00 0.20 H new ATOM 0 HA GLN A 63 13.783 -4.548 -1.989 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.061 -6.487 -1.365 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.003 -5.312 -2.665 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.725 -3.506 -0.799 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.192 -4.761 0.331 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.978 -6.063 -1.829 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.410 -5.029 -1.868 1.00 2.22 H new ATOM 978 N ASP A 64 13.162 -7.681 -1.593 1.00 0.19 N ATOM 979 CA ASP A 64 12.589 -8.869 -2.281 1.00 0.20 C ATOM 980 C ASP A 64 11.227 -8.498 -2.870 1.00 0.17 C ATOM 981 O ASP A 64 10.884 -8.897 -3.965 1.00 0.19 O ATOM 982 CB ASP A 64 12.426 -10.010 -1.274 1.00 0.22 C ATOM 983 CG ASP A 64 11.866 -9.458 0.038 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.619 -8.827 0.762 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.693 -9.675 0.295 1.00 1.11 O ATOM 0 H ASP A 64 13.193 -7.739 -0.575 1.00 0.19 H new ATOM 0 HA ASP A 64 13.255 -9.191 -3.082 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.757 -10.771 -1.676 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.387 -10.493 -1.097 1.00 0.22 H new ATOM 990 N VAL A 65 10.456 -7.726 -2.159 1.00 0.15 N ATOM 991 CA VAL A 65 9.127 -7.318 -2.686 1.00 0.16 C ATOM 992 C VAL A 65 9.336 -6.266 -3.775 1.00 0.16 C ATOM 993 O VAL A 65 8.777 -6.348 -4.850 1.00 0.19 O ATOM 994 CB VAL A 65 8.288 -6.725 -1.553 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.844 -6.548 -2.026 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.318 -7.673 -0.353 1.00 0.18 C ATOM 0 H VAL A 65 10.689 -7.360 -1.236 1.00 0.15 H new ATOM 0 HA VAL A 65 8.607 -8.182 -3.099 1.00 0.16 H new ATOM 0 HB VAL A 65 8.696 -5.756 -1.265 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.246 -6.125 -1.219 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.822 -5.876 -2.884 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.434 -7.516 -2.313 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.721 -7.254 0.457 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.908 -8.640 -0.643 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.347 -7.801 -0.016 1.00 0.18 H new ATOM 1006 N ALA A 66 10.151 -5.282 -3.506 1.00 0.16 N ATOM 1007 CA ALA A 66 10.412 -4.229 -4.525 1.00 0.18 C ATOM 1008 C ALA A 66 11.077 -4.871 -5.743 1.00 0.19 C ATOM 1009 O ALA A 66 10.851 -4.475 -6.868 1.00 0.20 O ATOM 1010 CB ALA A 66 11.345 -3.167 -3.938 1.00 0.22 C ATOM 0 H ALA A 66 10.647 -5.163 -2.623 1.00 0.16 H new ATOM 0 HA ALA A 66 9.473 -3.760 -4.818 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.535 -2.397 -4.685 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.878 -2.716 -3.063 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.287 -3.631 -3.647 1.00 0.22 H new ATOM 1016 N SER A 67 11.898 -5.861 -5.521 1.00 0.21 N ATOM 1017 CA SER A 67 12.581 -6.534 -6.658 1.00 0.26 C ATOM 1018 C SER A 67 11.539 -7.229 -7.537 1.00 0.26 C ATOM 1019 O SER A 67 11.559 -7.119 -8.747 1.00 0.29 O ATOM 1020 CB SER A 67 13.566 -7.570 -6.117 1.00 0.31 C ATOM 1021 OG SER A 67 14.689 -6.901 -5.555 1.00 1.29 O ATOM 0 H SER A 67 12.125 -6.232 -4.598 1.00 0.21 H new ATOM 0 HA SER A 67 13.120 -5.795 -7.250 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.082 -8.190 -5.362 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.888 -8.236 -6.918 1.00 0.31 H new ATOM 0 HG SER A 67 14.416 -6.434 -4.738 1.00 1.29 H new ATOM 1027 N GLU A 68 10.629 -7.945 -6.936 1.00 0.26 N ATOM 1028 CA GLU A 68 9.586 -8.648 -7.735 1.00 0.30 C ATOM 1029 C GLU A 68 8.717 -7.615 -8.460 1.00 0.31 C ATOM 1030 O GLU A 68 8.319 -7.812 -9.591 1.00 0.36 O ATOM 1031 CB GLU A 68 8.713 -9.493 -6.800 1.00 0.31 C ATOM 1032 CG GLU A 68 7.914 -10.518 -7.614 1.00 0.39 C ATOM 1033 CD GLU A 68 6.852 -9.798 -8.445 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.125 -8.999 -7.878 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.783 -10.057 -9.636 1.00 2.19 O ATOM 0 H GLU A 68 10.563 -8.074 -5.926 1.00 0.26 H new ATOM 0 HA GLU A 68 10.063 -9.297 -8.470 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.338 -10.005 -6.069 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.033 -8.849 -6.243 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.582 -11.079 -8.267 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.441 -11.238 -6.947 1.00 0.39 H new ATOM 1042 N ALA A 69 8.418 -6.517 -7.819 1.00 0.29 N ATOM 1043 CA ALA A 69 7.573 -5.472 -8.473 1.00 0.31 C ATOM 1044 C ALA A 69 8.465 -4.513 -9.268 1.00 0.29 C ATOM 1045 O ALA A 69 7.991 -3.609 -9.927 1.00 0.33 O ATOM 1046 CB ALA A 69 6.812 -4.690 -7.399 1.00 0.31 C ATOM 0 H ALA A 69 8.722 -6.297 -6.870 1.00 0.29 H new ATOM 0 HA ALA A 69 6.864 -5.949 -9.149 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.195 -3.927 -7.873 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.176 -5.372 -6.834 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.523 -4.214 -6.724 1.00 0.31 H new ATOM 1052 N GLU A 70 9.754 -4.709 -9.218 1.00 0.27 N ATOM 1053 CA GLU A 70 10.679 -3.816 -9.974 1.00 0.29 C ATOM 1054 C GLU A 70 10.319 -2.350 -9.714 1.00 0.25 C ATOM 1055 O GLU A 70 10.038 -1.599 -10.628 1.00 0.26 O ATOM 1056 CB GLU A 70 10.559 -4.112 -11.470 1.00 0.38 C ATOM 1057 CG GLU A 70 11.134 -5.500 -11.760 1.00 1.18 C ATOM 1058 CD GLU A 70 10.979 -5.817 -13.249 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.807 -5.363 -14.021 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.034 -6.508 -13.592 1.00 2.06 O ATOM 0 H GLU A 70 10.208 -5.451 -8.685 1.00 0.27 H new ATOM 0 HA GLU A 70 11.702 -3.997 -9.644 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.515 -4.067 -11.778 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.094 -3.357 -12.046 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.186 -5.535 -11.478 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.618 -6.251 -11.162 1.00 1.18 H new ATOM 1067 N VAL A 71 10.335 -1.933 -8.477 1.00 0.22 N ATOM 1068 CA VAL A 71 10.004 -0.512 -8.161 1.00 0.19 C ATOM 1069 C VAL A 71 11.226 0.363 -8.447 1.00 0.23 C ATOM 1070 O VAL A 71 12.337 0.019 -8.095 1.00 0.28 O ATOM 1071 CB VAL A 71 9.621 -0.389 -6.687 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.051 1.005 -6.436 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.557 -1.435 -6.342 1.00 0.19 C ATOM 0 H VAL A 71 10.563 -2.514 -7.671 1.00 0.22 H new ATOM 0 HA VAL A 71 9.166 -0.186 -8.777 1.00 0.19 H new ATOM 0 HB VAL A 71 10.503 -0.550 -6.067 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.775 1.102 -5.386 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.802 1.755 -6.684 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.169 1.155 -7.058 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.286 -1.345 -5.290 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.674 -1.273 -6.960 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.953 -2.433 -6.530 1.00 0.19 H new ATOM 1083 N LYS A 72 11.031 1.491 -9.092 1.00 0.24 N ATOM 1084 CA LYS A 72 12.182 2.395 -9.417 1.00 0.29 C ATOM 1085 C LYS A 72 11.860 3.828 -8.978 1.00 0.26 C ATOM 1086 O LYS A 72 12.650 4.734 -9.160 1.00 0.27 O ATOM 1087 CB LYS A 72 12.431 2.370 -10.927 1.00 0.35 C ATOM 1088 CG LYS A 72 13.082 1.040 -11.312 1.00 0.43 C ATOM 1089 CD LYS A 72 13.276 0.985 -12.828 1.00 1.16 C ATOM 1090 CE LYS A 72 13.729 -0.419 -13.235 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.603 -1.377 -13.050 1.00 2.40 N ATOM 0 H LYS A 72 10.121 1.825 -9.408 1.00 0.24 H new ATOM 0 HA LYS A 72 13.072 2.051 -8.889 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.491 2.496 -11.464 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.076 3.200 -11.214 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.043 0.934 -10.808 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.457 0.209 -10.985 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.344 1.239 -13.334 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.018 1.722 -13.137 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.055 -0.420 -14.275 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.584 -0.726 -12.633 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.758 -2.214 -13.647 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.555 -1.668 -12.053 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.709 -0.919 -13.321 1.00 2.40 H new ATOM 1105 N ALA A 73 10.710 4.045 -8.396 1.00 0.22 N ATOM 1106 CA ALA A 73 10.348 5.426 -7.941 1.00 0.20 C ATOM 1107 C ALA A 73 9.375 5.330 -6.759 1.00 0.18 C ATOM 1108 O ALA A 73 8.358 4.678 -6.846 1.00 0.16 O ATOM 1109 CB ALA A 73 9.697 6.191 -9.115 1.00 0.21 C ATOM 0 H ALA A 73 10.005 3.330 -8.215 1.00 0.22 H new ATOM 0 HA ALA A 73 11.241 5.962 -7.620 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.431 7.197 -8.791 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.401 6.251 -9.945 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.799 5.665 -9.439 1.00 0.21 H new ATOM 1115 N THR A 74 9.680 5.977 -5.656 1.00 0.18 N ATOM 1116 CA THR A 74 8.773 5.925 -4.460 1.00 0.17 C ATOM 1117 C THR A 74 8.138 7.312 -4.260 1.00 0.17 C ATOM 1118 O THR A 74 8.755 8.303 -4.596 1.00 0.19 O ATOM 1119 CB THR A 74 9.601 5.583 -3.203 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.775 6.379 -3.194 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.011 4.094 -3.174 1.00 0.19 C ATOM 0 H THR A 74 10.521 6.541 -5.532 1.00 0.18 H new ATOM 0 HA THR A 74 8.003 5.169 -4.617 1.00 0.17 H new ATOM 0 HB THR A 74 8.984 5.784 -2.328 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.306 6.169 -2.398 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.592 3.894 -2.274 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.117 3.470 -3.175 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.614 3.865 -4.053 1.00 0.19 H new ATOM 1129 N PRO A 75 6.945 7.375 -3.691 1.00 0.17 N ATOM 1130 CA PRO A 75 6.147 6.199 -3.260 1.00 0.16 C ATOM 1131 C PRO A 75 5.476 5.544 -4.477 1.00 0.14 C ATOM 1132 O PRO A 75 5.037 6.220 -5.388 1.00 0.14 O ATOM 1133 CB PRO A 75 5.080 6.794 -2.311 1.00 0.17 C ATOM 1134 CG PRO A 75 5.108 8.339 -2.499 1.00 0.20 C ATOM 1135 CD PRO A 75 6.313 8.675 -3.407 1.00 0.19 C ATOM 0 HA PRO A 75 6.751 5.430 -2.779 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.093 6.396 -2.544 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.294 6.528 -1.276 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.179 8.687 -2.950 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.202 8.841 -1.536 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.991 9.167 -4.325 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.007 9.352 -2.909 1.00 0.19 H new ATOM 1143 N THR A 76 5.377 4.232 -4.490 1.00 0.13 N ATOM 1144 CA THR A 76 4.716 3.527 -5.639 1.00 0.12 C ATOM 1145 C THR A 76 3.445 2.860 -5.122 1.00 0.12 C ATOM 1146 O THR A 76 3.503 1.911 -4.364 1.00 0.18 O ATOM 1147 CB THR A 76 5.657 2.446 -6.206 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.986 2.930 -6.168 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.280 2.130 -7.657 1.00 0.13 C ATOM 0 H THR A 76 5.726 3.619 -3.753 1.00 0.13 H new ATOM 0 HA THR A 76 4.483 4.243 -6.427 1.00 0.12 H new ATOM 0 HB THR A 76 5.567 1.539 -5.608 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.037 3.783 -6.647 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.951 1.365 -8.049 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.253 1.766 -7.695 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.368 3.033 -8.261 1.00 0.13 H new ATOM 1157 N PHE A 77 2.296 3.335 -5.512 1.00 0.09 N ATOM 1158 CA PHE A 77 1.045 2.699 -5.018 1.00 0.09 C ATOM 1159 C PHE A 77 0.684 1.540 -5.928 1.00 0.09 C ATOM 1160 O PHE A 77 0.484 1.701 -7.115 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.094 3.712 -4.999 1.00 0.10 C ATOM 1162 CG PHE A 77 0.184 4.724 -3.926 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.113 4.417 -2.587 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.743 5.972 -4.258 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.148 5.360 -1.576 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.005 6.917 -3.249 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.707 6.613 -1.908 1.00 0.12 C ATOM 0 H PHE A 77 2.169 4.126 -6.143 1.00 0.09 H new ATOM 0 HA PHE A 77 1.204 2.337 -4.002 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.180 4.202 -5.969 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.043 3.211 -4.810 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.541 3.458 -2.334 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.971 6.205 -5.288 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.079 5.125 -0.547 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.434 7.875 -3.504 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.906 7.338 -1.133 1.00 0.12 H new ATOM 1177 N GLN A 78 0.602 0.371 -5.364 1.00 0.07 N ATOM 1178 CA GLN A 78 0.257 -0.842 -6.150 1.00 0.07 C ATOM 1179 C GLN A 78 -1.051 -1.395 -5.600 1.00 0.06 C ATOM 1180 O GLN A 78 -1.251 -1.458 -4.402 1.00 0.07 O ATOM 1181 CB GLN A 78 1.381 -1.866 -5.980 1.00 0.08 C ATOM 1182 CG GLN A 78 2.733 -1.190 -6.232 1.00 0.12 C ATOM 1183 CD GLN A 78 3.800 -2.250 -6.522 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.486 -3.349 -6.937 1.00 0.81 O ATOM 1185 NE2 GLN A 78 5.056 -1.966 -6.320 1.00 1.03 N ATOM 0 H GLN A 78 0.763 0.202 -4.371 1.00 0.07 H new ATOM 0 HA GLN A 78 0.143 -0.613 -7.210 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.355 -2.287 -4.975 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.241 -2.694 -6.675 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.654 -0.501 -7.073 1.00 0.12 H new ATOM 0 HG3 GLN A 78 3.022 -0.599 -5.363 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.321 -1.045 -5.972 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.774 -2.665 -6.510 1.00 1.03 H new ATOM 1194 N PHE A 79 -1.957 -1.762 -6.465 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.283 -2.274 -6.008 1.00 0.07 C ATOM 1196 C PHE A 79 -3.383 -3.768 -6.288 1.00 0.07 C ATOM 1197 O PHE A 79 -3.134 -4.228 -7.385 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.386 -1.527 -6.764 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.360 -0.072 -6.352 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.285 0.745 -6.736 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.396 0.462 -5.570 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.242 2.094 -6.344 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.357 1.809 -5.167 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.280 2.627 -5.555 1.00 0.11 C ATOM 0 H PHE A 79 -1.835 -1.729 -7.477 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.395 -2.110 -4.936 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.234 -1.617 -7.840 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.359 -1.965 -6.542 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.486 0.335 -7.336 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.226 -0.164 -5.277 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.416 2.720 -6.647 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.153 2.215 -4.560 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.249 3.662 -5.248 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.753 -4.524 -5.288 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.888 -6.001 -5.447 1.00 0.08 C ATOM 1216 C PHE A 80 -5.281 -6.414 -4.983 1.00 0.11 C ATOM 1217 O PHE A 80 -5.935 -5.711 -4.235 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.842 -6.710 -4.583 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.474 -6.567 -5.209 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.034 -7.502 -6.166 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.636 -5.503 -4.828 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.248 -7.373 -6.738 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.642 -5.374 -5.401 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.085 -6.306 -6.355 1.00 0.14 C ATOM 0 H PHE A 80 -3.970 -4.175 -4.355 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.739 -6.275 -6.491 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.838 -6.285 -3.579 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.096 -7.765 -4.481 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.678 -8.317 -6.461 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.974 -4.785 -4.095 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.588 -8.091 -7.469 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.284 -4.557 -5.107 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.066 -6.205 -6.794 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.737 -7.548 -5.420 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.084 -8.018 -5.009 1.00 0.14 C ATOM 1236 C LYS A 81 -7.113 -9.538 -5.160 1.00 0.14 C ATOM 1237 O LYS A 81 -6.837 -10.064 -6.218 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.147 -7.367 -5.908 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.515 -7.396 -5.216 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.518 -6.581 -6.036 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.855 -6.527 -5.297 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.457 -7.889 -5.261 1.00 1.48 N ATOM 0 H LYS A 81 -5.233 -8.174 -6.048 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.296 -7.744 -3.975 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.865 -6.338 -6.130 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.202 -7.895 -6.860 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.862 -8.424 -5.115 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.434 -6.987 -4.209 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.138 -5.572 -6.197 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.652 -7.032 -7.019 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.708 -6.156 -4.283 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.531 -5.832 -5.796 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.492 -7.813 -5.333 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.094 -8.450 -6.058 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.206 -8.356 -4.366 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.423 -10.244 -4.107 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.451 -11.734 -4.183 1.00 0.20 C ATOM 1258 C LYS A 82 -6.093 -12.258 -4.668 1.00 0.20 C ATOM 1259 O LYS A 82 -5.998 -13.344 -5.204 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.556 -12.185 -5.154 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.916 -12.150 -4.452 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.023 -12.552 -5.439 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.114 -11.531 -6.587 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.504 -11.515 -7.125 1.00 1.67 N ATOM 0 H LYS A 82 -7.659 -9.853 -3.195 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.656 -12.137 -3.191 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.572 -11.534 -6.028 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.348 -13.193 -5.512 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.913 -12.829 -3.599 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.109 -11.150 -4.063 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.818 -13.544 -5.841 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.979 -12.610 -4.919 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.839 -10.539 -6.229 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.409 -11.791 -7.377 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.568 -10.826 -7.901 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.749 -12.461 -7.481 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.166 -11.247 -6.369 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.043 -11.507 -4.474 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.694 -11.981 -4.913 1.00 0.21 C ATOM 1280 C GLY A 83 -3.431 -11.575 -6.365 1.00 0.19 C ATOM 1281 O GLY A 83 -2.396 -11.888 -6.921 1.00 0.22 O ATOM 0 H GLY A 83 -5.058 -10.588 -4.032 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.925 -11.559 -4.266 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.633 -13.065 -4.815 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.356 -10.884 -6.986 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.163 -10.458 -8.414 1.00 0.17 C ATOM 1287 C GLN A 84 -3.950 -8.940 -8.484 1.00 0.16 C ATOM 1288 O GLN A 84 -4.461 -8.193 -7.675 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.413 -10.824 -9.216 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.722 -12.310 -9.029 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.010 -12.662 -9.778 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.109 -13.714 -10.377 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.008 -11.820 -9.768 1.00 2.08 N ATOM 0 H GLN A 84 -5.240 -10.594 -6.567 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.289 -10.963 -8.826 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.259 -10.221 -8.886 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.258 -10.604 -10.272 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.895 -12.914 -9.402 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.831 -12.539 -7.969 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.925 -10.937 -9.265 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.871 -12.046 -10.263 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.197 -8.483 -9.453 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.946 -7.016 -9.588 1.00 0.17 C ATOM 1304 C LYS A 85 -4.081 -6.377 -10.388 1.00 0.16 C ATOM 1305 O LYS A 85 -4.592 -6.962 -11.323 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.618 -6.787 -10.315 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.407 -5.278 -10.540 1.00 0.25 C ATOM 1308 CD LYS A 85 0.077 -4.968 -10.808 1.00 0.30 C ATOM 1309 CE LYS A 85 0.440 -5.341 -12.250 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.921 -5.314 -12.415 1.00 1.70 N ATOM 0 H LYS A 85 -2.744 -9.065 -10.158 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.899 -6.564 -8.597 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.795 -7.196 -9.729 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.620 -7.311 -11.271 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.011 -4.943 -11.383 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.747 -4.724 -9.665 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.272 -3.909 -10.638 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.704 -5.524 -10.111 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.055 -6.333 -12.488 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.026 -4.643 -12.945 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.177 -5.743 -13.327 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.255 -4.330 -12.389 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.366 -5.851 -11.643 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.487 -5.182 -10.021 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.603 -4.493 -10.749 1.00 0.16 C ATOM 1326 C VAL A 86 -5.136 -3.127 -11.271 1.00 0.18 C ATOM 1327 O VAL A 86 -5.767 -2.539 -12.127 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.777 -4.292 -9.789 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.255 -5.650 -9.273 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.328 -3.428 -8.608 1.00 0.17 C ATOM 0 H VAL A 86 -4.091 -4.652 -9.245 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.910 -5.108 -11.595 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.593 -3.796 -10.314 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.091 -5.506 -8.589 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.575 -6.266 -10.113 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.439 -6.148 -8.748 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.164 -3.284 -7.924 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.511 -3.924 -8.084 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.988 -2.459 -8.974 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.044 -2.611 -10.772 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.567 -1.282 -11.262 1.00 0.18 C ATOM 1342 C GLY A 87 -2.408 -0.782 -10.395 1.00 0.10 C ATOM 1343 O GLY A 87 -1.984 -1.442 -9.467 1.00 0.08 O ATOM 0 H GLY A 87 -3.466 -3.046 -10.053 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.245 -1.364 -12.300 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.385 -0.562 -11.238 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.890 0.383 -10.694 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.758 0.926 -9.889 1.00 0.10 C ATOM 1349 C GLU A 88 -0.430 2.351 -10.337 1.00 0.10 C ATOM 1350 O GLU A 88 -0.685 2.735 -11.461 1.00 0.11 O ATOM 1351 CB GLU A 88 0.477 0.042 -10.082 1.00 0.17 C ATOM 1352 CG GLU A 88 0.674 -0.247 -11.573 1.00 0.25 C ATOM 1353 CD GLU A 88 1.964 -1.045 -11.770 1.00 1.25 C ATOM 1354 OE1 GLU A 88 3.024 -0.487 -11.534 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.872 -2.199 -12.153 1.00 1.94 O ATOM 0 H GLU A 88 -2.203 0.979 -11.460 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.045 0.937 -8.838 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.359 0.539 -9.678 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.358 -0.892 -9.533 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.176 -0.808 -11.961 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.722 0.687 -12.132 1.00 0.25 H new ATOM 1362 N PHE A 89 0.155 3.133 -9.467 1.00 0.09 N ATOM 1363 CA PHE A 89 0.520 4.527 -9.851 1.00 0.09 C ATOM 1364 C PHE A 89 1.438 5.147 -8.792 1.00 0.09 C ATOM 1365 O PHE A 89 1.163 5.113 -7.613 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.748 5.384 -10.064 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.337 5.876 -8.751 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.693 6.894 -8.012 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.548 5.330 -8.276 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.255 7.355 -6.809 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.109 5.795 -7.072 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.463 6.806 -6.338 1.00 0.11 C ATOM 0 H PHE A 89 0.394 2.867 -8.512 1.00 0.09 H new ATOM 0 HA PHE A 89 1.063 4.499 -10.795 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.504 6.239 -10.694 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.495 4.797 -10.598 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.232 7.318 -8.372 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.046 4.553 -8.838 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.760 8.131 -6.245 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.036 5.375 -6.711 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.893 7.161 -5.413 1.00 0.11 H new ATOM 1382 N SER A 90 2.537 5.722 -9.219 1.00 0.13 N ATOM 1383 CA SER A 90 3.492 6.364 -8.260 1.00 0.14 C ATOM 1384 C SER A 90 3.308 7.881 -8.319 1.00 0.14 C ATOM 1385 O SER A 90 2.372 8.377 -8.913 1.00 0.17 O ATOM 1386 CB SER A 90 4.923 6.008 -8.663 1.00 0.15 C ATOM 1387 OG SER A 90 5.342 6.866 -9.717 1.00 0.16 O ATOM 0 H SER A 90 2.816 5.774 -10.199 1.00 0.13 H new ATOM 0 HA SER A 90 3.300 6.009 -7.247 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.590 6.111 -7.807 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.975 4.967 -8.983 1.00 0.15 H new ATOM 0 HG SER A 90 6.212 7.258 -9.494 1.00 0.16 H new ATOM 1393 N GLY A 91 4.193 8.624 -7.709 1.00 0.12 N ATOM 1394 CA GLY A 91 4.067 10.114 -7.731 1.00 0.13 C ATOM 1395 C GLY A 91 3.259 10.573 -6.516 1.00 0.13 C ATOM 1396 O GLY A 91 2.203 10.047 -6.228 1.00 0.13 O ATOM 0 H GLY A 91 4.998 8.265 -7.196 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.055 10.574 -7.719 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.577 10.435 -8.650 1.00 0.13 H new ATOM 1400 N ALA A 92 3.752 11.541 -5.794 1.00 0.15 N ATOM 1401 CA ALA A 92 3.013 12.019 -4.589 1.00 0.17 C ATOM 1402 C ALA A 92 1.615 12.511 -4.976 1.00 0.15 C ATOM 1403 O ALA A 92 1.431 13.645 -5.372 1.00 0.16 O ATOM 1404 CB ALA A 92 3.793 13.167 -3.926 1.00 0.20 C ATOM 0 H ALA A 92 4.632 12.021 -5.984 1.00 0.15 H new ATOM 0 HA ALA A 92 2.913 11.189 -3.890 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.251 13.514 -3.046 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.780 12.812 -3.628 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.902 13.989 -4.633 1.00 0.20 H new ATOM 1410 N ASN A 93 0.628 11.674 -4.828 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.770 12.086 -5.144 1.00 0.13 C ATOM 1412 C ASN A 93 -1.697 11.446 -4.110 1.00 0.12 C ATOM 1413 O ASN A 93 -2.388 10.487 -4.387 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.149 11.618 -6.553 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.344 12.433 -7.051 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.330 12.571 -6.355 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.291 12.992 -8.225 1.00 1.15 N ATOM 0 H ASN A 93 0.729 10.714 -4.499 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.861 13.172 -5.110 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.303 11.741 -7.229 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.397 10.557 -6.542 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.078 13.547 -8.562 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.463 12.875 -8.808 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.692 11.956 -2.909 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.548 11.363 -1.843 1.00 0.20 C ATOM 1426 C LYS A 94 -4.027 11.504 -2.203 1.00 0.18 C ATOM 1427 O LYS A 94 -4.833 10.650 -1.890 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.278 12.067 -0.506 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.258 13.607 -0.696 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.809 14.126 -0.760 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.255 14.306 0.659 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.145 14.813 0.588 1.00 1.19 N ATOM 0 H LYS A 94 -1.132 12.758 -2.620 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.306 10.304 -1.754 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.047 11.794 0.217 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.324 11.733 -0.099 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.786 13.873 -1.612 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.786 14.087 0.128 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.187 13.425 -1.316 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.777 15.075 -1.295 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.878 15.005 1.218 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.282 13.357 1.194 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.641 14.589 1.474 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.638 14.361 -0.208 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.134 15.844 0.448 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.397 12.572 -2.846 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.825 12.756 -3.209 1.00 0.20 C ATOM 1448 C GLU A 95 -6.237 11.677 -4.213 1.00 0.17 C ATOM 1449 O GLU A 95 -7.383 11.284 -4.281 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.009 14.137 -3.834 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.668 15.211 -2.801 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.994 16.592 -3.372 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.951 16.688 -4.124 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.283 17.528 -3.048 1.00 1.86 O ATOM 0 H GLU A 95 -3.773 13.325 -3.136 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.446 12.674 -2.317 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.367 14.241 -4.709 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.037 14.259 -4.177 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.234 15.042 -1.885 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.612 15.155 -2.538 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.308 11.195 -4.990 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.646 10.142 -5.987 1.00 0.14 C ATOM 1463 C LYS A 96 -5.971 8.834 -5.266 1.00 0.12 C ATOM 1464 O LYS A 96 -6.838 8.096 -5.682 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.469 9.928 -6.942 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.765 8.744 -7.866 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.740 8.701 -9.012 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.028 9.802 -10.054 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.303 11.048 -9.676 1.00 2.05 N ATOM 0 H LYS A 96 -4.330 11.484 -4.978 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.515 10.462 -6.561 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.298 10.829 -7.532 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.557 9.741 -6.375 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.729 7.813 -7.300 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.773 8.832 -8.272 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.735 8.830 -8.610 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.768 7.723 -9.493 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.713 9.472 -11.044 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.099 9.995 -10.108 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.987 11.540 -10.536 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -3.938 11.669 -9.135 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.477 10.806 -9.093 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.290 8.527 -4.189 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.600 7.249 -3.481 1.00 0.11 C ATOM 1485 C LEU A 97 -7.103 7.187 -3.225 1.00 0.11 C ATOM 1486 O LEU A 97 -7.713 6.138 -3.271 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.873 7.176 -2.130 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.348 7.104 -2.333 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.639 7.514 -1.025 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.923 5.660 -2.736 1.00 0.13 C ATOM 0 H LEU A 97 -4.548 9.093 -3.777 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.270 6.417 -4.103 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.124 8.050 -1.529 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.212 6.301 -1.576 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.061 7.786 -3.133 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.559 7.464 -1.165 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.924 8.532 -0.761 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.932 6.836 -0.224 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.843 5.624 -2.876 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.210 4.963 -1.949 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.419 5.381 -3.666 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.703 8.312 -2.956 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.169 8.329 -2.696 1.00 0.14 C ATOM 1504 C GLU A 98 -9.914 7.963 -3.982 1.00 0.13 C ATOM 1505 O GLU A 98 -10.752 7.084 -4.000 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.594 9.728 -2.240 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.106 9.751 -2.006 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.494 11.041 -1.282 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.722 11.485 -0.448 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.556 11.565 -1.575 1.00 2.05 O ATOM 0 H GLU A 98 -7.242 9.220 -2.905 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.409 7.607 -1.915 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.069 9.998 -1.324 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.321 10.466 -2.994 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.632 9.684 -2.958 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.406 8.886 -1.414 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.613 8.639 -5.056 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.298 8.344 -6.346 1.00 0.14 C ATOM 1519 C ALA A 99 -10.035 6.895 -6.769 1.00 0.12 C ATOM 1520 O ALA A 99 -10.923 6.208 -7.228 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.769 9.290 -7.425 1.00 0.15 C ATOM 0 H ALA A 99 -8.919 9.386 -5.096 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.371 8.486 -6.219 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.267 9.078 -8.371 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -9.967 10.321 -7.134 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.695 9.146 -7.541 1.00 0.15 H new ATOM 1527 N THR A 100 -8.822 6.430 -6.631 1.00 0.11 N ATOM 1528 CA THR A 100 -8.502 5.029 -7.042 1.00 0.11 C ATOM 1529 C THR A 100 -9.224 4.038 -6.126 1.00 0.10 C ATOM 1530 O THR A 100 -9.837 3.094 -6.580 1.00 0.11 O ATOM 1531 CB THR A 100 -6.989 4.806 -6.947 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.314 5.935 -7.484 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.600 3.555 -7.737 1.00 0.12 C ATOM 0 H THR A 100 -8.037 6.959 -6.251 1.00 0.11 H new ATOM 0 HA THR A 100 -8.833 4.871 -8.068 1.00 0.11 H new ATOM 0 HB THR A 100 -6.707 4.672 -5.903 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.326 6.665 -6.830 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.523 3.400 -7.667 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.119 2.689 -7.326 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.881 3.683 -8.782 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.156 4.244 -4.841 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.841 3.310 -3.899 1.00 0.11 C ATOM 1543 C ILE A 101 -11.342 3.298 -4.212 1.00 0.13 C ATOM 1544 O ILE A 101 -11.940 2.256 -4.382 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.607 3.786 -2.454 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.138 3.523 -2.061 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.539 3.031 -1.495 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.731 4.395 -0.862 1.00 0.18 C ATOM 0 H ILE A 101 -8.657 5.017 -4.401 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.441 2.302 -4.012 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.819 4.853 -2.388 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.006 2.470 -1.812 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.486 3.735 -2.909 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.367 3.374 -0.475 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.576 3.220 -1.771 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.336 1.962 -1.557 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.692 4.194 -0.602 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.842 5.447 -1.123 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.370 4.163 -0.010 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.953 4.448 -4.292 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.412 4.498 -4.596 1.00 0.17 C ATOM 1562 C ASN A 102 -13.668 3.886 -5.974 1.00 0.18 C ATOM 1563 O ASN A 102 -14.788 3.578 -6.330 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.881 5.955 -4.591 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.409 6.002 -4.536 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.071 5.058 -4.916 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.000 7.071 -4.077 1.00 1.03 N ATOM 0 H ASN A 102 -11.506 5.355 -4.160 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.961 3.934 -3.841 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.460 6.480 -3.734 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.523 6.466 -5.485 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.018 7.114 -4.037 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.444 7.864 -3.758 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.639 3.721 -6.758 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.821 3.141 -8.118 1.00 0.18 C ATOM 1576 C GLU A 103 -12.972 1.617 -8.036 1.00 0.19 C ATOM 1577 O GLU A 103 -13.952 1.054 -8.480 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.600 3.487 -8.979 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.956 3.354 -10.463 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.895 4.494 -10.866 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.855 5.525 -10.217 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.637 4.315 -11.818 1.00 2.01 O ATOM 0 H GLU A 103 -11.678 3.963 -6.515 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.724 3.558 -8.564 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.269 4.503 -8.765 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.771 2.823 -8.734 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.051 3.383 -11.069 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.434 2.392 -10.649 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.989 0.945 -7.496 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.047 -0.547 -7.408 1.00 0.19 C ATOM 1591 C LEU A 104 -12.672 -0.985 -6.081 1.00 0.19 C ATOM 1592 O LEU A 104 -12.561 -2.129 -5.687 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.623 -1.100 -7.500 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.860 -0.379 -8.613 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.496 -1.043 -8.805 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.656 -0.454 -9.920 1.00 0.35 C ATOM 0 H LEU A 104 -11.144 1.366 -7.110 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.660 -0.929 -8.225 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.109 -0.967 -6.548 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.651 -2.171 -7.700 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.722 0.667 -8.338 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.950 -0.531 -9.598 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.928 -0.983 -7.876 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.636 -2.089 -9.078 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.109 0.061 -10.709 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.800 -1.498 -10.199 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.627 0.022 -9.782 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.327 -0.100 -5.387 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.945 -0.500 -4.094 1.00 0.22 C ATOM 1610 C VAL A 105 -15.033 -1.545 -4.355 1.00 0.26 C ATOM 1611 O VAL A 105 -15.380 -2.256 -3.427 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.564 0.723 -3.415 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.588 1.364 -4.354 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.255 0.290 -2.119 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.497 -1.620 -5.481 1.00 1.18 O ATOM 0 H VAL A 105 -13.461 0.875 -5.655 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.180 -0.922 -3.443 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.783 1.447 -3.184 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.029 2.236 -3.871 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.094 1.672 -5.276 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.371 0.642 -4.586 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.697 1.160 -1.634 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.037 -0.434 -2.348 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.524 -0.165 -1.451 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.549 3.192 5.457 1.00 0.00 N ATOM 1627 CA PHE B 1 21.947 2.120 6.303 1.00 0.00 C ATOM 1628 C PHE B 1 20.793 1.459 5.535 1.00 0.00 C ATOM 1629 O PHE B 1 20.612 0.260 5.583 1.00 0.00 O ATOM 1630 CB PHE B 1 21.430 2.730 7.629 1.00 0.00 C ATOM 1631 CG PHE B 1 21.117 4.200 7.438 1.00 0.00 C ATOM 1632 CD1 PHE B 1 19.956 4.590 6.742 1.00 0.00 C ATOM 1633 CD2 PHE B 1 21.993 5.180 7.948 1.00 0.00 C ATOM 1634 CE1 PHE B 1 19.670 5.954 6.558 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.704 6.546 7.765 1.00 0.00 C ATOM 1636 CZ PHE B 1 20.543 6.934 7.070 1.00 0.00 C ATOM 0 H1 PHE B 1 23.541 3.337 5.734 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.506 2.910 4.457 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.020 4.077 5.590 1.00 0.00 H new ATOM 0 HA PHE B 1 22.700 1.367 6.536 1.00 0.00 H new ATOM 0 HB2 PHE B 1 20.537 2.200 7.958 1.00 0.00 H new ATOM 0 HB3 PHE B 1 22.179 2.608 8.411 1.00 0.00 H new ATOM 0 HD1 PHE B 1 19.285 3.840 6.349 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.885 4.883 8.479 1.00 0.00 H new ATOM 0 HE1 PHE B 1 18.780 6.251 6.023 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.374 7.297 8.158 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.322 7.982 6.929 1.00 0.00 H new ATOM 1648 N ARG B 2 20.012 2.236 4.835 1.00 0.00 N ATOM 1649 CA ARG B 2 18.865 1.665 4.074 1.00 0.00 C ATOM 1650 C ARG B 2 18.483 2.627 2.942 1.00 0.00 C ATOM 1651 O ARG B 2 17.376 3.115 2.881 1.00 0.00 O ATOM 1652 CB ARG B 2 17.663 1.483 5.025 1.00 0.00 C ATOM 1653 CG ARG B 2 17.819 0.195 5.850 1.00 0.00 C ATOM 1654 CD ARG B 2 16.472 -0.186 6.468 1.00 0.00 C ATOM 1655 NE ARG B 2 16.664 -1.333 7.397 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.724 -1.655 8.242 1.00 0.00 C ATOM 1657 NH1 ARG B 2 14.608 -0.979 8.265 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.899 -2.654 9.063 1.00 0.00 N ATOM 0 H ARG B 2 20.120 3.247 4.757 1.00 0.00 H new ATOM 0 HA ARG B 2 19.144 0.699 3.653 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.586 2.342 5.692 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.739 1.443 4.449 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.181 -0.614 5.215 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.562 0.341 6.634 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.051 0.665 7.004 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.762 -0.452 5.685 1.00 0.00 H new ATOM 0 HE ARG B 2 17.532 -1.868 7.373 1.00 0.00 H new ATOM 0 HH11 ARG B 2 14.471 -0.199 7.622 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.873 -1.231 8.926 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.771 -3.183 9.044 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.164 -2.906 9.724 1.00 0.00 H new ATOM 1672 N PHE B 3 19.393 2.899 2.040 1.00 0.00 N ATOM 1673 CA PHE B 3 19.083 3.829 0.907 1.00 0.00 C ATOM 1674 C PHE B 3 18.723 3.007 -0.335 1.00 0.00 C ATOM 1675 O PHE B 3 19.025 1.833 -0.418 1.00 0.00 O ATOM 1676 CB PHE B 3 20.321 4.683 0.596 1.00 0.00 C ATOM 1677 CG PHE B 3 20.418 5.829 1.573 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.992 5.627 2.840 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.935 7.102 1.212 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.083 6.698 3.748 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.026 8.172 2.120 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.601 7.971 3.389 1.00 0.00 C ATOM 0 H PHE B 3 20.339 2.517 2.038 1.00 0.00 H new ATOM 0 HA PHE B 3 18.248 4.474 1.182 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.220 4.069 0.653 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.261 5.067 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.363 4.651 3.116 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.495 7.256 0.238 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.523 6.543 4.722 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.655 9.148 1.844 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.672 8.793 4.086 1.00 0.00 H new ATOM 1692 N ARG B 4 18.082 3.611 -1.305 1.00 0.00 N ATOM 1693 CA ARG B 4 17.713 2.855 -2.541 1.00 0.00 C ATOM 1694 C ARG B 4 17.663 3.823 -3.745 1.00 0.00 C ATOM 1695 O ARG B 4 18.688 4.335 -4.150 1.00 0.00 O ATOM 1696 CB ARG B 4 16.364 2.149 -2.311 1.00 0.00 C ATOM 1697 CG ARG B 4 16.264 0.883 -3.190 1.00 0.00 C ATOM 1698 CD ARG B 4 16.896 -0.312 -2.466 1.00 0.00 C ATOM 1699 NE ARG B 4 17.014 -1.473 -3.412 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.969 -1.978 -4.014 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.765 -1.611 -3.674 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.132 -2.896 -4.927 1.00 0.00 N ATOM 0 H ARG B 4 17.799 4.591 -1.295 1.00 0.00 H new ATOM 0 HA ARG B 4 18.461 2.094 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.262 1.879 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.545 2.829 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.219 0.670 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.769 1.050 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.880 -0.040 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.288 -0.592 -1.606 1.00 0.00 H new ATOM 0 HE ARG B 4 17.933 -1.878 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.632 -0.924 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG B 4 13.956 -2.011 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.070 -3.215 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.321 -3.294 -5.400 1.00 0.00 H new ATOM 1716 N TYR B 5 16.501 4.089 -4.324 1.00 0.00 N ATOM 1717 CA TYR B 5 16.434 5.029 -5.501 1.00 0.00 C ATOM 1718 C TYR B 5 15.783 6.359 -5.098 1.00 0.00 C ATOM 1719 O TYR B 5 15.557 6.635 -3.937 1.00 0.00 O ATOM 1720 CB TYR B 5 15.658 4.383 -6.669 1.00 0.00 C ATOM 1721 CG TYR B 5 14.486 3.581 -6.172 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.652 2.224 -5.841 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.221 4.181 -6.071 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.551 1.468 -5.396 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.121 3.428 -5.631 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.286 2.071 -5.290 1.00 0.00 C ATOM 1727 OH TYR B 5 11.207 1.331 -4.853 1.00 0.00 O ATOM 0 H TYR B 5 15.605 3.698 -4.033 1.00 0.00 H new ATOM 0 HA TYR B 5 17.453 5.231 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.307 5.160 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.326 3.738 -7.240 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.624 1.762 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.094 5.221 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.678 0.427 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.148 3.889 -5.554 1.00 0.00 H new ATOM 0 HH TYR B 5 11.514 0.449 -4.557 1.00 0.00 H new ATOM 1737 N VAL B 6 15.536 7.203 -6.066 1.00 0.00 N ATOM 1738 CA VAL B 6 14.960 8.554 -5.787 1.00 0.00 C ATOM 1739 C VAL B 6 13.553 8.477 -5.193 1.00 0.00 C ATOM 1740 O VAL B 6 12.753 7.633 -5.545 1.00 0.00 O ATOM 1741 CB VAL B 6 14.883 9.347 -7.098 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.745 10.839 -6.790 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.150 9.114 -7.915 1.00 0.00 C ATOM 0 H VAL B 6 15.711 7.011 -7.052 1.00 0.00 H new ATOM 0 HA VAL B 6 15.611 9.040 -5.061 1.00 0.00 H new ATOM 0 HB VAL B 6 14.017 9.012 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.691 11.400 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.837 11.009 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.609 11.173 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.092 9.679 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.017 9.444 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.247 8.052 -8.141 1.00 0.00 H new ATOM 1753 N CYS B 7 13.239 9.406 -4.322 1.00 0.00 N ATOM 1754 CA CYS B 7 11.875 9.468 -3.719 1.00 0.00 C ATOM 1755 C CYS B 7 11.098 10.564 -4.440 1.00 0.00 C ATOM 1756 O CYS B 7 11.203 11.727 -4.107 1.00 0.00 O ATOM 1757 CB CYS B 7 11.970 9.813 -2.230 1.00 0.00 C ATOM 1758 SG CYS B 7 13.224 8.781 -1.434 1.00 0.00 S ATOM 0 H CYS B 7 13.880 10.132 -4.001 1.00 0.00 H new ATOM 0 HA CYS B 7 11.377 8.504 -3.821 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.223 10.866 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.003 9.660 -1.750 1.00 0.00 H new ATOM 1763 N GLU B 8 10.335 10.217 -5.439 1.00 0.00 N ATOM 1764 CA GLU B 8 9.581 11.263 -6.186 1.00 0.00 C ATOM 1765 C GLU B 8 8.285 11.606 -5.452 1.00 0.00 C ATOM 1766 O GLU B 8 7.246 11.809 -6.055 1.00 0.00 O ATOM 1767 CB GLU B 8 9.261 10.759 -7.596 1.00 0.00 C ATOM 1768 CG GLU B 8 8.840 9.288 -7.530 1.00 0.00 C ATOM 1769 CD GLU B 8 8.135 8.894 -8.830 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.663 9.203 -9.886 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.080 8.287 -8.747 1.00 0.00 O ATOM 0 H GLU B 8 10.201 9.261 -5.769 1.00 0.00 H new ATOM 0 HA GLU B 8 10.195 12.161 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.463 11.357 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.133 10.870 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.714 8.656 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.175 9.128 -6.681 1.00 0.00 H new ATOM 1778 N GLY B 9 8.344 11.715 -4.157 1.00 0.00 N ATOM 1779 CA GLY B 9 7.126 12.095 -3.401 1.00 0.00 C ATOM 1780 C GLY B 9 6.813 13.555 -3.779 1.00 0.00 C ATOM 1781 O GLY B 9 6.878 13.883 -4.948 1.00 0.00 O ATOM 0 H GLY B 9 9.179 11.558 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.292 11.441 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.290 11.999 -2.328 1.00 0.00 H new ATOM 1785 N PRO B 10 6.506 14.414 -2.824 1.00 0.00 N ATOM 1786 CA PRO B 10 6.233 15.825 -3.151 1.00 0.00 C ATOM 1787 C PRO B 10 7.532 16.499 -3.630 1.00 0.00 C ATOM 1788 O PRO B 10 7.716 17.690 -3.481 1.00 0.00 O ATOM 1789 CB PRO B 10 5.721 16.449 -1.831 1.00 0.00 C ATOM 1790 CG PRO B 10 5.831 15.358 -0.727 1.00 0.00 C ATOM 1791 CD PRO B 10 6.385 14.077 -1.391 1.00 0.00 C ATOM 0 HA PRO B 10 5.502 15.947 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.313 17.325 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.689 16.783 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.490 15.690 0.075 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.856 15.166 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.350 13.798 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.714 13.231 -1.239 1.00 0.00 H new ATOM 1799 N SER B 11 8.432 15.740 -4.201 1.00 0.00 N ATOM 1800 CA SER B 11 9.715 16.317 -4.689 1.00 0.00 C ATOM 1801 C SER B 11 9.521 16.857 -6.108 1.00 0.00 C ATOM 1802 O SER B 11 10.248 17.719 -6.559 1.00 0.00 O ATOM 1803 CB SER B 11 10.786 15.220 -4.703 1.00 0.00 C ATOM 1804 OG SER B 11 12.055 15.805 -4.960 1.00 0.00 O ATOM 0 H SER B 11 8.329 14.736 -4.350 1.00 0.00 H new ATOM 0 HA SER B 11 10.028 17.128 -4.031 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.801 14.698 -3.746 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.553 14.478 -5.467 1.00 0.00 H new ATOM 0 HG SER B 11 12.742 15.106 -4.968 1.00 0.00 H new ATOM 1810 N HIS B 12 8.544 16.354 -6.816 1.00 0.00 N ATOM 1811 CA HIS B 12 8.305 16.838 -8.206 1.00 0.00 C ATOM 1812 C HIS B 12 7.812 18.286 -8.167 1.00 0.00 C ATOM 1813 O HIS B 12 7.345 18.765 -7.153 1.00 0.00 O ATOM 1814 CB HIS B 12 7.247 15.959 -8.879 1.00 0.00 C ATOM 1815 CG HIS B 12 7.117 16.350 -10.326 1.00 0.00 C ATOM 1816 ND1 HIS B 12 5.914 16.770 -10.873 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.030 16.393 -11.350 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.134 17.043 -12.172 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.407 16.830 -12.515 1.00 0.00 N ATOM 0 H HIS B 12 7.903 15.630 -6.492 1.00 0.00 H new ATOM 0 HA HIS B 12 9.235 16.786 -8.771 1.00 0.00 H new ATOM 0 HB2 HIS B 12 7.527 14.909 -8.799 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.288 16.073 -8.373 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.073 16.128 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.373 17.392 -12.855 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.831 16.960 -13.433 1.00 0.00 H new ATOM 1827 N GLY B 13 7.910 18.985 -9.265 1.00 0.00 N ATOM 1828 CA GLY B 13 7.447 20.401 -9.291 1.00 0.00 C ATOM 1829 C GLY B 13 7.246 20.846 -10.741 1.00 0.00 C ATOM 1830 O GLY B 13 6.105 20.911 -11.168 1.00 0.00 O ATOM 1831 OXT GLY B 13 8.237 21.114 -11.401 1.00 0.00 O ATOM 0 H GLY B 13 8.291 18.636 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.514 20.500 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.179 21.043 -8.801 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.060 -10.666 -1.243 1.00 0.24 O HETATM 1839 O HOH A 107 9.100 -3.409 4.891 1.00 0.40 O HETATM 1842 O HOH A 108 12.765 1.417 2.330 1.00 0.32 O HETATM 1845 O HOH A 109 -8.971 -8.870 -0.161 1.00 0.26 O HETATM 1848 O HOH A 110 -7.501 -12.956 0.625 1.00 0.21 O HETATM 1851 O HOH A 111 -12.395 -2.818 0.218 1.00 0.37 O