USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.0724 K(o=0.51,f=-6!) USER MOD Set 1.2: A 69 SER OG : rot -31:sc= 0.577 USER MOD Set 2.1: A 15 THR OG1 : rot 105:sc= 0.0163 USER MOD Set 2.2: A 16 SER OG : rot -96:sc= 0.0107 USER MOD Set 2.3: A 53 GLN :FLIP amide:sc= -1.52 F(o=-2.9,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00272 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.31) USER MOD Single : A 14 THR OG1 : rot -160:sc= -0.907 USER MOD Single : A 19 MET CE :methyl -142:sc= 0 (180deg=-0.723) USER MOD Single : A 21 THR OG1 : rot 90:sc= 0.889 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= -2.06 (180deg=-3.67!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 33:sc= -0.512 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -85:sc= 0.858 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.25) USER MOD Single : A 74 GLN : amide:sc= -1.83 X(o=-1.8,f=-2.1) USER MOD Single : A 75 TYR OH : rot 15:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -123:sc= 0.965 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.854 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -0.0139 (180deg=-0.475) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.251 (180deg=-1.23!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.147 -10.752 23.675 1.00 0.00 N ATOM 2 CA GLY A 1 1.084 -10.347 22.941 1.00 0.00 C ATOM 3 C GLY A 1 2.126 -11.448 22.907 1.00 0.00 C ATOM 4 O GLY A 1 2.539 -11.954 23.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.828 -9.966 23.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.571 -11.581 23.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.098 -10.992 24.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.820 -10.069 21.921 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.510 -9.462 23.413 1.00 0.00 H new ATOM 10 N SER A 2 2.553 -11.820 21.705 1.00 0.00 N ATOM 11 CA SER A 2 3.553 -12.868 21.539 1.00 0.00 C ATOM 12 C SER A 2 4.887 -12.281 21.088 1.00 0.00 C ATOM 13 O SER A 2 5.641 -12.919 20.354 1.00 0.00 O ATOM 14 CB SER A 2 3.072 -13.906 20.524 1.00 0.00 C ATOM 15 OG SER A 2 1.655 -13.971 20.492 1.00 0.00 O ATOM 0 H SER A 2 2.222 -11.411 20.831 1.00 0.00 H new ATOM 0 HA SER A 2 3.697 -13.353 22.504 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.450 -13.653 19.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.478 -14.885 20.780 1.00 0.00 H new ATOM 0 HG SER A 2 1.373 -14.640 19.834 1.00 0.00 H new ATOM 21 N SER A 3 5.170 -11.061 21.531 1.00 0.00 N ATOM 22 CA SER A 3 6.413 -10.387 21.173 1.00 0.00 C ATOM 23 C SER A 3 7.612 -11.086 21.805 1.00 0.00 C ATOM 24 O SER A 3 7.971 -10.812 22.950 1.00 0.00 O ATOM 25 CB SER A 3 6.369 -8.924 21.616 1.00 0.00 C ATOM 26 OG SER A 3 5.361 -8.209 20.923 1.00 0.00 O ATOM 0 H SER A 3 4.556 -10.519 22.138 1.00 0.00 H new ATOM 0 HA SER A 3 6.521 -10.428 20.089 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.184 -8.872 22.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.338 -8.458 21.437 1.00 0.00 H new ATOM 0 HG SER A 3 5.353 -7.277 21.226 1.00 0.00 H new ATOM 32 N GLY A 4 8.228 -11.990 21.050 1.00 0.00 N ATOM 33 CA GLY A 4 9.381 -12.714 21.553 1.00 0.00 C ATOM 34 C GLY A 4 9.870 -13.772 20.584 1.00 0.00 C ATOM 35 O GLY A 4 11.053 -13.817 20.249 1.00 0.00 O ATOM 0 H GLY A 4 7.950 -12.234 20.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.188 -12.010 21.755 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.124 -13.186 22.502 1.00 0.00 H new ATOM 39 N SER A 5 8.957 -14.626 20.132 1.00 0.00 N ATOM 40 CA SER A 5 9.301 -15.689 19.196 1.00 0.00 C ATOM 41 C SER A 5 8.176 -15.914 18.191 1.00 0.00 C ATOM 42 O SER A 5 6.997 -15.807 18.529 1.00 0.00 O ATOM 43 CB SER A 5 9.593 -16.987 19.951 1.00 0.00 C ATOM 44 OG SER A 5 10.467 -16.758 21.042 1.00 0.00 O ATOM 0 H SER A 5 7.973 -14.602 20.399 1.00 0.00 H new ATOM 0 HA SER A 5 10.195 -15.384 18.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.660 -17.418 20.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.038 -17.714 19.272 1.00 0.00 H new ATOM 0 HG SER A 5 10.636 -17.603 21.509 1.00 0.00 H new ATOM 50 N SER A 6 8.549 -16.223 16.953 1.00 0.00 N ATOM 51 CA SER A 6 7.571 -16.463 15.898 1.00 0.00 C ATOM 52 C SER A 6 7.756 -17.849 15.288 1.00 0.00 C ATOM 53 O SER A 6 8.817 -18.165 14.751 1.00 0.00 O ATOM 54 CB SER A 6 7.693 -15.395 14.810 1.00 0.00 C ATOM 55 OG SER A 6 6.421 -15.053 14.285 1.00 0.00 O ATOM 0 H SER A 6 9.521 -16.313 16.656 1.00 0.00 H new ATOM 0 HA SER A 6 6.576 -16.411 16.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.171 -14.506 15.221 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.335 -15.760 14.008 1.00 0.00 H new ATOM 0 HG SER A 6 6.526 -14.367 13.593 1.00 0.00 H new ATOM 61 N GLY A 7 6.716 -18.672 15.377 1.00 0.00 N ATOM 62 CA GLY A 7 6.785 -20.014 14.831 1.00 0.00 C ATOM 63 C GLY A 7 6.639 -20.034 13.321 1.00 0.00 C ATOM 64 O GLY A 7 7.581 -19.717 12.596 1.00 0.00 O ATOM 0 H GLY A 7 5.827 -18.433 15.817 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.737 -20.467 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.000 -20.625 15.277 1.00 0.00 H new ATOM 68 N LEU A 8 5.454 -20.409 12.850 1.00 0.00 N ATOM 69 CA LEU A 8 5.185 -20.470 11.417 1.00 0.00 C ATOM 70 C LEU A 8 6.111 -21.471 10.730 1.00 0.00 C ATOM 71 O LEU A 8 7.213 -21.740 11.209 1.00 0.00 O ATOM 72 CB LEU A 8 5.352 -19.086 10.786 1.00 0.00 C ATOM 73 CG LEU A 8 4.123 -18.180 10.877 1.00 0.00 C ATOM 74 CD1 LEU A 8 4.539 -16.734 11.099 1.00 0.00 C ATOM 75 CD2 LEU A 8 3.276 -18.305 9.620 1.00 0.00 C ATOM 0 H LEU A 8 4.665 -20.675 13.439 1.00 0.00 H new ATOM 0 HA LEU A 8 4.156 -20.802 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.191 -18.583 11.267 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.615 -19.212 9.736 1.00 0.00 H new ATOM 0 HG LEU A 8 3.524 -18.498 11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.651 -16.105 11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.104 -16.656 12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.161 -16.403 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.406 -17.654 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.868 -18.013 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.947 -19.338 9.504 1.00 0.00 H new ATOM 87 N PRO A 9 5.674 -22.038 9.592 1.00 0.00 N ATOM 88 CA PRO A 9 6.469 -23.012 8.839 1.00 0.00 C ATOM 89 C PRO A 9 7.674 -22.374 8.156 1.00 0.00 C ATOM 90 O PRO A 9 8.711 -23.013 7.979 1.00 0.00 O ATOM 91 CB PRO A 9 5.484 -23.547 7.797 1.00 0.00 C ATOM 92 CG PRO A 9 4.497 -22.447 7.612 1.00 0.00 C ATOM 93 CD PRO A 9 4.372 -21.772 8.951 1.00 0.00 C ATOM 0 HA PRO A 9 6.886 -23.784 9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.989 -23.788 6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.999 -24.460 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.835 -21.744 6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.535 -22.838 7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.187 -20.703 8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.547 -22.183 9.532 1.00 0.00 H new ATOM 101 N ASN A 10 7.528 -21.110 7.773 1.00 0.00 N ATOM 102 CA ASN A 10 8.605 -20.384 7.109 1.00 0.00 C ATOM 103 C ASN A 10 9.306 -19.440 8.081 1.00 0.00 C ATOM 104 O ASN A 10 8.667 -18.605 8.719 1.00 0.00 O ATOM 105 CB ASN A 10 8.057 -19.596 5.916 1.00 0.00 C ATOM 106 CG ASN A 10 8.843 -19.850 4.645 1.00 0.00 C ATOM 107 OD1 ASN A 10 9.860 -19.205 4.391 1.00 0.00 O ATOM 108 ND2 ASN A 10 8.374 -20.795 3.838 1.00 0.00 N ATOM 0 H ASN A 10 6.675 -20.567 7.911 1.00 0.00 H new ATOM 0 HA ASN A 10 9.333 -21.111 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.013 -19.866 5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.079 -18.531 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.861 -21.011 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.527 -21.305 4.088 1.00 0.00 H new ATOM 115 N SER A 11 10.623 -19.583 8.190 1.00 0.00 N ATOM 116 CA SER A 11 11.410 -18.743 9.086 1.00 0.00 C ATOM 117 C SER A 11 12.717 -18.315 8.425 1.00 0.00 C ATOM 118 O SER A 11 13.092 -17.143 8.473 1.00 0.00 O ATOM 119 CB SER A 11 11.705 -19.488 10.390 1.00 0.00 C ATOM 120 OG SER A 11 10.532 -20.086 10.912 1.00 0.00 O ATOM 0 H SER A 11 11.167 -20.271 7.670 1.00 0.00 H new ATOM 0 HA SER A 11 10.827 -17.849 9.309 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.459 -20.254 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.121 -18.796 11.122 1.00 0.00 H new ATOM 0 HG SER A 11 10.747 -20.557 11.744 1.00 0.00 H new ATOM 126 N ASP A 12 13.406 -19.271 7.812 1.00 0.00 N ATOM 127 CA ASP A 12 14.672 -18.992 7.142 1.00 0.00 C ATOM 128 C ASP A 12 14.499 -17.922 6.069 1.00 0.00 C ATOM 129 O ASP A 12 15.018 -16.813 6.197 1.00 0.00 O ATOM 130 CB ASP A 12 15.234 -20.272 6.517 1.00 0.00 C ATOM 131 CG ASP A 12 15.294 -21.419 7.505 1.00 0.00 C ATOM 132 OD1 ASP A 12 15.641 -21.175 8.679 1.00 0.00 O ATOM 133 OD2 ASP A 12 14.994 -22.563 7.104 1.00 0.00 O ATOM 0 H ASP A 12 13.110 -20.246 7.765 1.00 0.00 H new ATOM 0 HA ASP A 12 15.374 -18.620 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.615 -20.560 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.234 -20.076 6.131 1.00 0.00 H new ATOM 138 N HIS A 13 13.769 -18.262 5.013 1.00 0.00 N ATOM 139 CA HIS A 13 13.528 -17.329 3.918 1.00 0.00 C ATOM 140 C HIS A 13 12.390 -16.372 4.261 1.00 0.00 C ATOM 141 O HIS A 13 11.292 -16.799 4.614 1.00 0.00 O ATOM 142 CB HIS A 13 13.204 -18.092 2.631 1.00 0.00 C ATOM 143 CG HIS A 13 14.153 -17.802 1.510 1.00 0.00 C ATOM 144 ND1 HIS A 13 15.503 -17.593 1.682 1.00 0.00 N ATOM 145 CD2 HIS A 13 13.923 -17.688 0.177 1.00 0.00 C ATOM 146 CE1 HIS A 13 16.040 -17.363 0.475 1.00 0.00 C ATOM 147 NE2 HIS A 13 15.123 -17.410 -0.471 1.00 0.00 N ATOM 0 H HIS A 13 13.334 -19.176 4.892 1.00 0.00 H new ATOM 0 HA HIS A 13 14.435 -16.744 3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.216 -19.162 2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.192 -17.841 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.962 -17.796 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.087 -17.165 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.264 -17.271 -1.472 1.00 0.00 H new ATOM 155 N THR A 14 12.663 -15.076 4.153 1.00 0.00 N ATOM 156 CA THR A 14 11.661 -14.057 4.451 1.00 0.00 C ATOM 157 C THR A 14 11.439 -13.143 3.250 1.00 0.00 C ATOM 158 O THR A 14 12.392 -12.648 2.650 1.00 0.00 O ATOM 159 CB THR A 14 12.092 -13.230 5.663 1.00 0.00 C ATOM 160 OG1 THR A 14 13.503 -13.118 5.718 1.00 0.00 O ATOM 161 CG2 THR A 14 11.625 -13.810 6.981 1.00 0.00 C ATOM 0 H THR A 14 13.568 -14.706 3.862 1.00 0.00 H new ATOM 0 HA THR A 14 10.722 -14.561 4.678 1.00 0.00 H new ATOM 0 HB THR A 14 11.624 -12.255 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.777 -12.877 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.965 -13.175 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.536 -13.862 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.037 -14.811 7.104 1.00 0.00 H new ATOM 169 N THR A 15 10.174 -12.924 2.907 1.00 0.00 N ATOM 170 CA THR A 15 9.825 -12.069 1.779 1.00 0.00 C ATOM 171 C THR A 15 9.340 -10.706 2.261 1.00 0.00 C ATOM 172 O THR A 15 9.723 -9.671 1.717 1.00 0.00 O ATOM 173 CB THR A 15 8.746 -12.733 0.921 1.00 0.00 C ATOM 174 OG1 THR A 15 7.698 -13.233 1.732 1.00 0.00 O ATOM 175 CG2 THR A 15 9.269 -13.881 0.085 1.00 0.00 C ATOM 0 H THR A 15 9.374 -13.327 3.394 1.00 0.00 H new ATOM 0 HA THR A 15 10.720 -11.924 1.175 1.00 0.00 H new ATOM 0 HB THR A 15 8.388 -11.951 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.915 -12.649 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.453 -14.307 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.045 -13.517 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.686 -14.647 0.739 1.00 0.00 H new ATOM 183 N SER A 16 8.499 -10.714 3.290 1.00 0.00 N ATOM 184 CA SER A 16 7.963 -9.478 3.849 1.00 0.00 C ATOM 185 C SER A 16 8.612 -9.164 5.194 1.00 0.00 C ATOM 186 O SER A 16 8.014 -8.504 6.044 1.00 0.00 O ATOM 187 CB SER A 16 6.445 -9.584 4.014 1.00 0.00 C ATOM 188 OG SER A 16 6.043 -10.932 4.178 1.00 0.00 O ATOM 0 H SER A 16 8.174 -11.562 3.754 1.00 0.00 H new ATOM 0 HA SER A 16 8.190 -8.667 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.128 -8.999 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.951 -9.157 3.141 1.00 0.00 H new ATOM 0 HG SER A 16 5.760 -11.296 3.313 1.00 0.00 H new ATOM 194 N ARG A 17 9.838 -9.644 5.381 1.00 0.00 N ATOM 195 CA ARG A 17 10.567 -9.415 6.624 1.00 0.00 C ATOM 196 C ARG A 17 12.008 -8.991 6.345 1.00 0.00 C ATOM 197 O ARG A 17 12.551 -8.124 7.029 1.00 0.00 O ATOM 198 CB ARG A 17 10.549 -10.677 7.489 1.00 0.00 C ATOM 199 CG ARG A 17 9.769 -10.514 8.783 1.00 0.00 C ATOM 200 CD ARG A 17 9.138 -11.826 9.225 1.00 0.00 C ATOM 201 NE ARG A 17 9.875 -12.442 10.326 1.00 0.00 N ATOM 202 CZ ARG A 17 9.363 -13.369 11.133 1.00 0.00 C ATOM 203 NH1 ARG A 17 8.116 -13.789 10.967 1.00 0.00 N ATOM 204 NH2 ARG A 17 10.102 -13.876 12.111 1.00 0.00 N ATOM 0 H ARG A 17 10.347 -10.193 4.688 1.00 0.00 H new ATOM 0 HA ARG A 17 10.072 -8.607 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.116 -11.496 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.575 -10.960 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.433 -10.147 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.991 -9.763 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.108 -11.648 9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.104 -12.515 8.381 1.00 0.00 H new ATOM 0 HE ARG A 17 10.838 -12.145 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.543 -13.402 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.730 -14.499 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.061 -13.556 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.711 -14.586 12.730 1.00 0.00 H new ATOM 218 N ALA A 18 12.622 -9.606 5.338 1.00 0.00 N ATOM 219 CA ALA A 18 13.998 -9.289 4.975 1.00 0.00 C ATOM 220 C ALA A 18 14.051 -8.233 3.874 1.00 0.00 C ATOM 221 O ALA A 18 14.930 -8.265 3.012 1.00 0.00 O ATOM 222 CB ALA A 18 14.729 -10.549 4.534 1.00 0.00 C ATOM 0 H ALA A 18 12.188 -10.326 4.760 1.00 0.00 H new ATOM 0 HA ALA A 18 14.494 -8.880 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.755 -10.299 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.733 -11.272 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.223 -10.980 3.670 1.00 0.00 H new ATOM 228 N MET A 19 13.107 -7.298 3.910 1.00 0.00 N ATOM 229 CA MET A 19 13.048 -6.231 2.917 1.00 0.00 C ATOM 230 C MET A 19 12.977 -4.867 3.594 1.00 0.00 C ATOM 231 O MET A 19 13.677 -3.932 3.205 1.00 0.00 O ATOM 232 CB MET A 19 11.839 -6.424 2.001 1.00 0.00 C ATOM 233 CG MET A 19 11.961 -7.625 1.076 1.00 0.00 C ATOM 234 SD MET A 19 10.974 -7.450 -0.423 1.00 0.00 S ATOM 235 CE MET A 19 11.069 -9.112 -1.085 1.00 0.00 C ATOM 0 H MET A 19 12.372 -7.258 4.616 1.00 0.00 H new ATOM 0 HA MET A 19 13.957 -6.273 2.317 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.944 -6.537 2.613 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.702 -5.525 1.400 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.007 -7.764 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.649 -8.523 1.609 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.149 -9.067 -2.171 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.945 -9.616 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.171 -9.665 -0.810 1.00 0.00 H new ATOM 245 N LEU A 20 12.127 -4.760 4.609 1.00 0.00 N ATOM 246 CA LEU A 20 11.963 -3.510 5.343 1.00 0.00 C ATOM 247 C LEU A 20 13.153 -3.264 6.266 1.00 0.00 C ATOM 248 O LEU A 20 13.515 -2.119 6.536 1.00 0.00 O ATOM 249 CB LEU A 20 10.669 -3.538 6.158 1.00 0.00 C ATOM 250 CG LEU A 20 9.384 -3.406 5.337 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.182 -3.858 6.151 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.200 -1.971 4.864 1.00 0.00 C ATOM 0 H LEU A 20 11.540 -5.524 4.943 1.00 0.00 H new ATOM 0 HA LEU A 20 11.910 -2.696 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.630 -4.472 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.700 -2.730 6.889 1.00 0.00 H new ATOM 0 HG LEU A 20 9.467 -4.050 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.278 -3.757 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.310 -4.901 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.095 -3.241 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.282 -1.895 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.138 -1.308 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.048 -1.681 4.244 1.00 0.00 H new ATOM 264 N THR A 21 13.757 -4.346 6.747 1.00 0.00 N ATOM 265 CA THR A 21 14.905 -4.247 7.639 1.00 0.00 C ATOM 266 C THR A 21 16.141 -3.766 6.886 1.00 0.00 C ATOM 267 O THR A 21 16.870 -2.896 7.362 1.00 0.00 O ATOM 268 CB THR A 21 15.188 -5.601 8.293 1.00 0.00 C ATOM 269 OG1 THR A 21 13.988 -6.333 8.467 1.00 0.00 O ATOM 270 CG2 THR A 21 15.856 -5.485 9.645 1.00 0.00 C ATOM 0 H THR A 21 13.470 -5.301 6.534 1.00 0.00 H new ATOM 0 HA THR A 21 14.668 -3.518 8.414 1.00 0.00 H new ATOM 0 HB THR A 21 15.869 -6.114 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.823 -6.885 7.674 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.028 -6.481 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.809 -4.968 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.213 -4.922 10.322 1.00 0.00 H new ATOM 278 N SER A 22 16.370 -4.337 5.708 1.00 0.00 N ATOM 279 CA SER A 22 17.518 -3.965 4.889 1.00 0.00 C ATOM 280 C SER A 22 17.475 -2.483 4.532 1.00 0.00 C ATOM 281 O SER A 22 18.460 -1.765 4.703 1.00 0.00 O ATOM 282 CB SER A 22 17.554 -4.807 3.612 1.00 0.00 C ATOM 283 OG SER A 22 18.885 -5.126 3.249 1.00 0.00 O ATOM 0 H SER A 22 15.776 -5.059 5.299 1.00 0.00 H new ATOM 0 HA SER A 22 18.422 -4.155 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.985 -5.724 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.073 -4.262 2.800 1.00 0.00 H new ATOM 0 HG SER A 22 18.881 -5.666 2.431 1.00 0.00 H new ATOM 289 N LEU A 23 16.327 -2.032 4.039 1.00 0.00 N ATOM 290 CA LEU A 23 16.155 -0.635 3.659 1.00 0.00 C ATOM 291 C LEU A 23 15.912 0.237 4.887 1.00 0.00 C ATOM 292 O LEU A 23 16.265 1.417 4.903 1.00 0.00 O ATOM 293 CB LEU A 23 14.989 -0.491 2.679 1.00 0.00 C ATOM 294 CG LEU A 23 15.180 -1.195 1.336 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.881 -1.198 0.545 1.00 0.00 C ATOM 296 CD2 LEU A 23 16.290 -0.526 0.538 1.00 0.00 C ATOM 0 H LEU A 23 15.502 -2.613 3.893 1.00 0.00 H new ATOM 0 HA LEU A 23 17.072 -0.301 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.087 -0.881 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.819 0.570 2.495 1.00 0.00 H new ATOM 0 HG LEU A 23 15.468 -2.229 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.037 -1.703 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.111 -1.721 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.563 -0.171 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.413 -1.040 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.030 0.517 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.223 -0.576 1.100 1.00 0.00 H new ATOM 308 N GLY A 24 15.305 -0.351 5.913 1.00 0.00 N ATOM 309 CA GLY A 24 15.024 0.389 7.130 1.00 0.00 C ATOM 310 C GLY A 24 13.781 1.247 7.010 1.00 0.00 C ATOM 311 O GLY A 24 13.833 2.459 7.220 1.00 0.00 O ATOM 0 H GLY A 24 15.003 -1.325 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.901 -0.310 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.877 1.022 7.372 1.00 0.00 H new ATOM 315 N LEU A 25 12.661 0.619 6.669 1.00 0.00 N ATOM 316 CA LEU A 25 11.399 1.333 6.520 1.00 0.00 C ATOM 317 C LEU A 25 10.303 0.689 7.363 1.00 0.00 C ATOM 318 O LEU A 25 10.310 -0.521 7.589 1.00 0.00 O ATOM 319 CB LEU A 25 10.977 1.361 5.050 1.00 0.00 C ATOM 320 CG LEU A 25 12.043 1.880 4.082 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.556 1.772 2.645 1.00 0.00 C ATOM 322 CD2 LEU A 25 12.408 3.318 4.416 1.00 0.00 C ATOM 0 H LEU A 25 12.602 -0.384 6.491 1.00 0.00 H new ATOM 0 HA LEU A 25 11.546 2.355 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.695 0.352 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.087 1.983 4.955 1.00 0.00 H new ATOM 0 HG LEU A 25 12.936 1.264 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.327 2.145 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.343 0.729 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.649 2.364 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.167 3.672 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.521 3.946 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.798 3.368 5.433 1.00 0.00 H new ATOM 334 N LYS A 26 9.363 1.506 7.825 1.00 0.00 N ATOM 335 CA LYS A 26 8.260 1.016 8.644 1.00 0.00 C ATOM 336 C LYS A 26 6.994 1.832 8.394 1.00 0.00 C ATOM 337 O LYS A 26 6.991 2.758 7.584 1.00 0.00 O ATOM 338 CB LYS A 26 8.632 1.071 10.127 1.00 0.00 C ATOM 339 CG LYS A 26 8.146 -0.129 10.922 1.00 0.00 C ATOM 340 CD LYS A 26 7.685 0.270 12.317 1.00 0.00 C ATOM 341 CE LYS A 26 8.548 -0.363 13.395 1.00 0.00 C ATOM 342 NZ LYS A 26 7.788 -0.587 14.655 1.00 0.00 N ATOM 0 H LYS A 26 9.342 2.510 7.647 1.00 0.00 H new ATOM 0 HA LYS A 26 8.066 -0.020 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.716 1.142 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.215 1.978 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.324 -0.609 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.948 -0.863 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.718 1.355 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.647 -0.032 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.940 -1.314 13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.405 0.279 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.413 -1.020 15.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.435 0.323 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.985 -1.221 14.468 1.00 0.00 H new ATOM 356 N LEU A 27 5.922 1.483 9.096 1.00 0.00 N ATOM 357 CA LEU A 27 4.653 2.187 8.948 1.00 0.00 C ATOM 358 C LEU A 27 4.777 3.634 9.414 1.00 0.00 C ATOM 359 O LEU A 27 4.965 3.900 10.601 1.00 0.00 O ATOM 360 CB LEU A 27 3.555 1.476 9.742 1.00 0.00 C ATOM 361 CG LEU A 27 3.443 -0.029 9.491 1.00 0.00 C ATOM 362 CD1 LEU A 27 2.516 -0.672 10.511 1.00 0.00 C ATOM 363 CD2 LEU A 27 2.951 -0.296 8.077 1.00 0.00 C ATOM 0 H LEU A 27 5.906 0.719 9.772 1.00 0.00 H new ATOM 0 HA LEU A 27 4.386 2.185 7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.733 1.639 10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.598 1.940 9.505 1.00 0.00 H new ATOM 0 HG LEU A 27 4.433 -0.473 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.448 -1.742 10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.910 -0.509 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.525 -0.226 10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.877 -1.371 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.970 0.160 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.653 0.132 7.361 1.00 0.00 H new ATOM 375 N GLY A 28 4.668 4.564 8.471 1.00 0.00 N ATOM 376 CA GLY A 28 4.768 5.973 8.807 1.00 0.00 C ATOM 377 C GLY A 28 5.918 6.665 8.098 1.00 0.00 C ATOM 378 O GLY A 28 6.459 7.650 8.599 1.00 0.00 O ATOM 0 H GLY A 28 4.513 4.368 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.834 6.471 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.896 6.077 9.884 1.00 0.00 H new ATOM 382 N ASP A 29 6.291 6.152 6.929 1.00 0.00 N ATOM 383 CA ASP A 29 7.381 6.733 6.154 1.00 0.00 C ATOM 384 C ASP A 29 6.943 7.002 4.718 1.00 0.00 C ATOM 385 O ASP A 29 5.909 6.506 4.271 1.00 0.00 O ATOM 386 CB ASP A 29 8.600 5.807 6.165 1.00 0.00 C ATOM 387 CG ASP A 29 8.296 4.434 5.596 1.00 0.00 C ATOM 388 OD1 ASP A 29 7.507 4.351 4.632 1.00 0.00 O ATOM 389 OD2 ASP A 29 8.851 3.442 6.113 1.00 0.00 O ATOM 0 H ASP A 29 5.855 5.336 6.499 1.00 0.00 H new ATOM 0 HA ASP A 29 7.654 7.682 6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.404 6.265 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.961 5.700 7.188 1.00 0.00 H new ATOM 394 N ARG A 30 7.736 7.791 4.001 1.00 0.00 N ATOM 395 CA ARG A 30 7.429 8.128 2.616 1.00 0.00 C ATOM 396 C ARG A 30 8.151 7.190 1.654 1.00 0.00 C ATOM 397 O ARG A 30 9.375 7.230 1.534 1.00 0.00 O ATOM 398 CB ARG A 30 7.820 9.577 2.323 1.00 0.00 C ATOM 399 CG ARG A 30 6.773 10.590 2.757 1.00 0.00 C ATOM 400 CD ARG A 30 5.739 10.824 1.667 1.00 0.00 C ATOM 401 NE ARG A 30 4.679 11.730 2.104 1.00 0.00 N ATOM 402 CZ ARG A 30 3.788 12.279 1.281 1.00 0.00 C ATOM 403 NH1 ARG A 30 3.826 12.018 -0.019 1.00 0.00 N ATOM 404 NH2 ARG A 30 2.856 13.092 1.762 1.00 0.00 N ATOM 0 H ARG A 30 8.596 8.209 4.356 1.00 0.00 H new ATOM 0 HA ARG A 30 6.355 8.012 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.760 9.800 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.998 9.687 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.277 10.237 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.259 11.533 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.229 11.237 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.302 9.870 1.371 1.00 0.00 H new ATOM 0 HE ARG A 30 4.618 11.955 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.541 11.394 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.141 12.442 -0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.823 13.296 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.173 13.513 1.133 1.00 0.00 H new ATOM 418 N VAL A 31 7.384 6.346 0.971 1.00 0.00 N ATOM 419 CA VAL A 31 7.951 5.398 0.019 1.00 0.00 C ATOM 420 C VAL A 31 7.631 5.802 -1.416 1.00 0.00 C ATOM 421 O VAL A 31 6.855 6.729 -1.653 1.00 0.00 O ATOM 422 CB VAL A 31 7.428 3.971 0.266 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.980 3.417 1.570 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.907 3.953 0.272 1.00 0.00 C ATOM 0 H VAL A 31 6.369 6.299 1.059 1.00 0.00 H new ATOM 0 HA VAL A 31 9.031 5.411 0.166 1.00 0.00 H new ATOM 0 HB VAL A 31 7.773 3.332 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.599 2.408 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.069 3.390 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.669 4.055 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.556 2.936 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.539 4.606 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.535 4.304 -0.691 1.00 0.00 H new ATOM 434 N VAL A 32 8.234 5.101 -2.373 1.00 0.00 N ATOM 435 CA VAL A 32 8.012 5.388 -3.785 1.00 0.00 C ATOM 436 C VAL A 32 7.686 4.113 -4.558 1.00 0.00 C ATOM 437 O VAL A 32 8.317 3.075 -4.357 1.00 0.00 O ATOM 438 CB VAL A 32 9.243 6.066 -4.419 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.459 5.154 -4.343 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.953 6.462 -5.860 1.00 0.00 C ATOM 0 H VAL A 32 8.879 4.331 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 32 7.164 6.070 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 32 9.464 6.972 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.316 5.652 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.680 4.928 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.253 4.227 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.834 6.939 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.703 5.573 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.115 7.158 -5.884 1.00 0.00 H new ATOM 450 N ILE A 33 6.698 4.200 -5.442 1.00 0.00 N ATOM 451 CA ILE A 33 6.288 3.053 -6.245 1.00 0.00 C ATOM 452 C ILE A 33 7.073 2.988 -7.551 1.00 0.00 C ATOM 453 O ILE A 33 6.849 3.786 -8.462 1.00 0.00 O ATOM 454 CB ILE A 33 4.782 3.102 -6.568 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.975 3.372 -5.297 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.337 1.801 -7.218 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.544 3.785 -5.566 1.00 0.00 C ATOM 0 H ILE A 33 6.166 5.052 -5.621 1.00 0.00 H new ATOM 0 HA ILE A 33 6.497 2.162 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 33 4.602 3.916 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.975 2.474 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.469 4.155 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.271 1.851 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.893 1.647 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.527 0.971 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.032 3.960 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.535 4.700 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.034 2.993 -6.114 1.00 0.00 H new ATOM 469 N ALA A 34 7.991 2.032 -7.637 1.00 0.00 N ATOM 470 CA ALA A 34 8.809 1.861 -8.833 1.00 0.00 C ATOM 471 C ALA A 34 9.605 3.124 -9.142 1.00 0.00 C ATOM 472 O ALA A 34 9.934 3.395 -10.298 1.00 0.00 O ATOM 473 CB ALA A 34 7.935 1.482 -10.019 1.00 0.00 C ATOM 0 H ALA A 34 8.188 1.363 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 34 9.518 1.055 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.558 1.357 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.417 0.547 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.203 2.270 -10.198 1.00 0.00 H new ATOM 479 N GLY A 35 9.913 3.895 -8.103 1.00 0.00 N ATOM 480 CA GLY A 35 10.669 5.120 -8.288 1.00 0.00 C ATOM 481 C GLY A 35 9.996 6.080 -9.249 1.00 0.00 C ATOM 482 O GLY A 35 10.646 6.645 -10.129 1.00 0.00 O ATOM 0 H GLY A 35 9.653 3.693 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.801 5.610 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.664 4.876 -8.661 1.00 0.00 H new ATOM 486 N GLN A 36 8.691 6.267 -9.081 1.00 0.00 N ATOM 487 CA GLN A 36 7.930 7.165 -9.941 1.00 0.00 C ATOM 488 C GLN A 36 6.807 7.843 -9.164 1.00 0.00 C ATOM 489 O GLN A 36 6.626 9.058 -9.248 1.00 0.00 O ATOM 490 CB GLN A 36 7.355 6.396 -11.134 1.00 0.00 C ATOM 491 CG GLN A 36 7.727 6.994 -12.480 1.00 0.00 C ATOM 492 CD GLN A 36 7.083 6.263 -13.641 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.839 5.058 -13.573 1.00 0.00 O ATOM 494 NE2 GLN A 36 6.802 6.989 -14.717 1.00 0.00 N ATOM 0 H GLN A 36 8.138 5.808 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 36 8.606 7.937 -10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.706 5.365 -11.094 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.269 6.366 -11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.426 8.041 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.810 6.971 -12.597 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.021 7.985 -14.732 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.367 6.550 -15.529 1.00 0.00 H new ATOM 503 N LYS A 37 6.056 7.050 -8.407 1.00 0.00 N ATOM 504 CA LYS A 37 4.949 7.574 -7.614 1.00 0.00 C ATOM 505 C LYS A 37 5.362 7.757 -6.158 1.00 0.00 C ATOM 506 O LYS A 37 5.887 6.837 -5.531 1.00 0.00 O ATOM 507 CB LYS A 37 3.743 6.637 -7.701 1.00 0.00 C ATOM 508 CG LYS A 37 3.444 6.159 -9.112 1.00 0.00 C ATOM 509 CD LYS A 37 2.314 5.142 -9.129 1.00 0.00 C ATOM 510 CE LYS A 37 0.954 5.820 -9.102 1.00 0.00 C ATOM 511 NZ LYS A 37 0.482 6.065 -7.712 1.00 0.00 N ATOM 0 H LYS A 37 6.193 6.043 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 37 4.673 8.547 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.920 5.771 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.866 7.150 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.177 7.011 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.341 5.715 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.395 4.522 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.408 4.478 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.010 6.767 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.228 5.199 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.297 5.413 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.265 5.907 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.148 7.046 -7.627 1.00 0.00 H new ATOM 525 N VAL A 38 5.120 8.950 -5.625 1.00 0.00 N ATOM 526 CA VAL A 38 5.467 9.254 -4.242 1.00 0.00 C ATOM 527 C VAL A 38 4.232 9.231 -3.348 1.00 0.00 C ATOM 528 O VAL A 38 3.231 9.887 -3.639 1.00 0.00 O ATOM 529 CB VAL A 38 6.148 10.630 -4.122 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.681 10.842 -2.713 1.00 0.00 C ATOM 531 CG2 VAL A 38 7.263 10.766 -5.148 1.00 0.00 C ATOM 0 H VAL A 38 4.685 9.722 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 38 6.164 8.483 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 38 5.404 11.401 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.159 11.820 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.857 10.793 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.410 10.066 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.732 11.745 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.008 9.988 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.849 10.663 -6.151 1.00 0.00 H new ATOM 541 N GLY A 39 4.309 8.473 -2.260 1.00 0.00 N ATOM 542 CA GLY A 39 3.189 8.380 -1.340 1.00 0.00 C ATOM 543 C GLY A 39 3.626 8.062 0.076 1.00 0.00 C ATOM 544 O GLY A 39 4.807 7.824 0.330 1.00 0.00 O ATOM 0 H GLY A 39 5.126 7.921 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.640 9.322 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.501 7.609 -1.687 1.00 0.00 H new ATOM 548 N THR A 40 2.671 8.060 1.000 1.00 0.00 N ATOM 549 CA THR A 40 2.963 7.771 2.399 1.00 0.00 C ATOM 550 C THR A 40 2.693 6.304 2.721 1.00 0.00 C ATOM 551 O THR A 40 1.581 5.811 2.537 1.00 0.00 O ATOM 552 CB THR A 40 2.126 8.668 3.313 1.00 0.00 C ATOM 553 OG1 THR A 40 1.669 9.811 2.613 1.00 0.00 O ATOM 554 CG2 THR A 40 2.880 9.148 4.534 1.00 0.00 C ATOM 0 H THR A 40 1.689 8.255 0.805 1.00 0.00 H new ATOM 0 HA THR A 40 4.020 7.973 2.572 1.00 0.00 H new ATOM 0 HB THR A 40 1.292 8.047 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.135 10.371 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.229 9.779 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.203 8.290 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.752 9.722 4.221 1.00 0.00 H new ATOM 562 N LEU A 41 3.721 5.613 3.204 1.00 0.00 N ATOM 563 CA LEU A 41 3.599 4.203 3.553 1.00 0.00 C ATOM 564 C LEU A 41 2.632 4.012 4.718 1.00 0.00 C ATOM 565 O LEU A 41 2.843 4.546 5.807 1.00 0.00 O ATOM 566 CB LEU A 41 4.969 3.627 3.914 1.00 0.00 C ATOM 567 CG LEU A 41 5.008 2.110 4.098 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.605 1.405 2.813 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.394 1.665 4.541 1.00 0.00 C ATOM 0 H LEU A 41 4.648 6.008 3.362 1.00 0.00 H new ATOM 0 HA LEU A 41 3.205 3.672 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.678 3.901 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.312 4.098 4.835 1.00 0.00 H new ATOM 0 HG LEU A 41 4.294 1.838 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.639 0.326 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.593 1.701 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.294 1.682 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.405 0.582 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.126 1.950 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.645 2.144 5.488 1.00 0.00 H new ATOM 581 N ARG A 42 1.572 3.247 4.481 1.00 0.00 N ATOM 582 CA ARG A 42 0.572 2.985 5.510 1.00 0.00 C ATOM 583 C ARG A 42 0.533 1.503 5.867 1.00 0.00 C ATOM 584 O ARG A 42 0.348 1.139 7.028 1.00 0.00 O ATOM 585 CB ARG A 42 -0.808 3.447 5.039 1.00 0.00 C ATOM 586 CG ARG A 42 -0.866 4.923 4.680 1.00 0.00 C ATOM 587 CD ARG A 42 -0.660 5.803 5.902 1.00 0.00 C ATOM 588 NE ARG A 42 -1.920 6.343 6.408 1.00 0.00 N ATOM 589 CZ ARG A 42 -2.629 7.279 5.783 1.00 0.00 C ATOM 590 NH1 ARG A 42 -2.208 7.781 4.630 1.00 0.00 N ATOM 591 NH2 ARG A 42 -3.764 7.714 6.314 1.00 0.00 N ATOM 0 H ARG A 42 1.383 2.797 3.585 1.00 0.00 H new ATOM 0 HA ARG A 42 0.849 3.546 6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.102 2.858 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.537 3.243 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.102 5.148 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.830 5.150 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.173 5.225 6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.010 6.624 5.648 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.277 5.981 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.336 7.450 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.756 8.499 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.092 7.331 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.309 8.432 5.836 1.00 0.00 H new ATOM 605 N PHE A 43 0.705 0.651 4.861 1.00 0.00 N ATOM 606 CA PHE A 43 0.689 -0.792 5.071 1.00 0.00 C ATOM 607 C PHE A 43 1.831 -1.466 4.318 1.00 0.00 C ATOM 608 O PHE A 43 2.382 -0.903 3.373 1.00 0.00 O ATOM 609 CB PHE A 43 -0.651 -1.378 4.620 1.00 0.00 C ATOM 610 CG PHE A 43 -0.824 -2.825 4.981 1.00 0.00 C ATOM 611 CD1 PHE A 43 -1.100 -3.199 6.286 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.711 -3.812 4.015 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.260 -4.529 6.623 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.871 -5.146 4.345 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.145 -5.504 5.651 1.00 0.00 C ATOM 0 H PHE A 43 0.857 0.935 3.893 1.00 0.00 H new ATOM 0 HA PHE A 43 0.821 -0.980 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.460 -0.801 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.741 -1.268 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.191 -2.441 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.496 -3.537 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.475 -4.806 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.782 -5.906 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.269 -6.545 5.912 1.00 0.00 H new ATOM 625 N CYS A 44 2.180 -2.677 4.743 1.00 0.00 N ATOM 626 CA CYS A 44 3.256 -3.429 4.108 1.00 0.00 C ATOM 627 C CYS A 44 3.139 -4.916 4.424 1.00 0.00 C ATOM 628 O CYS A 44 2.932 -5.303 5.575 1.00 0.00 O ATOM 629 CB CYS A 44 4.616 -2.903 4.569 1.00 0.00 C ATOM 630 SG CYS A 44 4.802 -2.809 6.365 1.00 0.00 S ATOM 0 H CYS A 44 1.733 -3.158 5.524 1.00 0.00 H new ATOM 0 HA CYS A 44 3.171 -3.297 3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.398 -3.547 4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.772 -1.911 4.146 1.00 0.00 H new ATOM 0 HG CYS A 44 4.132 -3.774 6.922 1.00 0.00 H new ATOM 636 N GLY A 45 3.273 -5.748 3.396 1.00 0.00 N ATOM 637 CA GLY A 45 3.179 -7.183 3.585 1.00 0.00 C ATOM 638 C GLY A 45 2.544 -7.885 2.400 1.00 0.00 C ATOM 639 O GLY A 45 2.975 -7.708 1.262 1.00 0.00 O ATOM 0 H GLY A 45 3.445 -5.453 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.176 -7.590 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.595 -7.391 4.482 1.00 0.00 H new ATOM 643 N THR A 46 1.516 -8.683 2.670 1.00 0.00 N ATOM 644 CA THR A 46 0.820 -9.415 1.618 1.00 0.00 C ATOM 645 C THR A 46 -0.688 -9.226 1.731 1.00 0.00 C ATOM 646 O THR A 46 -1.263 -9.367 2.810 1.00 0.00 O ATOM 647 CB THR A 46 1.166 -10.904 1.688 1.00 0.00 C ATOM 648 OG1 THR A 46 0.935 -11.411 2.991 1.00 0.00 O ATOM 649 CG2 THR A 46 2.606 -11.201 1.328 1.00 0.00 C ATOM 0 H THR A 46 1.147 -8.839 3.608 1.00 0.00 H new ATOM 0 HA THR A 46 1.147 -9.018 0.657 1.00 0.00 H new ATOM 0 HB THR A 46 0.519 -11.387 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.160 -12.364 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.785 -12.274 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.803 -10.866 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.269 -10.677 2.017 1.00 0.00 H new ATOM 657 N THR A 47 -1.325 -8.907 0.609 1.00 0.00 N ATOM 658 CA THR A 47 -2.769 -8.699 0.581 1.00 0.00 C ATOM 659 C THR A 47 -3.509 -10.030 0.515 1.00 0.00 C ATOM 660 O THR A 47 -2.893 -11.096 0.530 1.00 0.00 O ATOM 661 CB THR A 47 -3.157 -7.827 -0.614 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.669 -8.384 -1.821 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.630 -6.411 -0.517 1.00 0.00 C ATOM 0 H THR A 47 -0.864 -8.787 -0.293 1.00 0.00 H new ATOM 0 HA THR A 47 -3.055 -8.190 1.501 1.00 0.00 H new ATOM 0 HB THR A 47 -4.246 -7.794 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.741 -8.100 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.941 -5.846 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.028 -5.935 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.541 -6.431 -0.465 1.00 0.00 H new ATOM 671 N GLU A 48 -4.835 -9.962 0.442 1.00 0.00 N ATOM 672 CA GLU A 48 -5.659 -11.162 0.373 1.00 0.00 C ATOM 673 C GLU A 48 -6.263 -11.328 -1.017 1.00 0.00 C ATOM 674 O GLU A 48 -6.482 -12.449 -1.480 1.00 0.00 O ATOM 675 CB GLU A 48 -6.771 -11.104 1.425 1.00 0.00 C ATOM 676 CG GLU A 48 -6.463 -11.904 2.679 1.00 0.00 C ATOM 677 CD GLU A 48 -6.875 -13.357 2.558 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.417 -14.028 1.610 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.657 -13.826 3.413 1.00 0.00 O ATOM 0 H GLU A 48 -5.361 -9.088 0.429 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.022 -12.023 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.945 -10.064 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.696 -11.476 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.395 -11.849 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.977 -11.454 3.528 1.00 0.00 H new ATOM 686 N PHE A 49 -6.531 -10.207 -1.679 1.00 0.00 N ATOM 687 CA PHE A 49 -7.109 -10.230 -3.018 1.00 0.00 C ATOM 688 C PHE A 49 -6.066 -10.632 -4.054 1.00 0.00 C ATOM 689 O PHE A 49 -6.321 -11.477 -4.912 1.00 0.00 O ATOM 690 CB PHE A 49 -7.692 -8.859 -3.368 1.00 0.00 C ATOM 691 CG PHE A 49 -6.664 -7.766 -3.421 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.320 -7.063 -2.277 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.042 -7.438 -4.615 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.376 -6.056 -2.323 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.097 -6.431 -4.667 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.764 -5.739 -3.519 1.00 0.00 C ATOM 0 H PHE A 49 -6.357 -9.272 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.909 -10.971 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.193 -8.922 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.451 -8.597 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.796 -7.306 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.299 -7.976 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.117 -5.517 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.619 -6.185 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.026 -4.951 -3.557 1.00 0.00 H new ATOM 706 N ALA A 50 -4.888 -10.021 -3.968 1.00 0.00 N ATOM 707 CA ALA A 50 -3.805 -10.315 -4.898 1.00 0.00 C ATOM 708 C ALA A 50 -2.750 -11.203 -4.247 1.00 0.00 C ATOM 709 O ALA A 50 -2.508 -11.117 -3.044 1.00 0.00 O ATOM 710 CB ALA A 50 -3.175 -9.025 -5.399 1.00 0.00 C ATOM 0 H ALA A 50 -4.660 -9.319 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.224 -10.855 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.368 -9.260 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.929 -8.426 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.776 -8.463 -4.555 1.00 0.00 H new ATOM 716 N SER A 51 -2.124 -12.057 -5.052 1.00 0.00 N ATOM 717 CA SER A 51 -1.094 -12.961 -4.552 1.00 0.00 C ATOM 718 C SER A 51 0.291 -12.342 -4.701 1.00 0.00 C ATOM 719 O SER A 51 0.624 -11.784 -5.747 1.00 0.00 O ATOM 720 CB SER A 51 -1.153 -14.296 -5.297 1.00 0.00 C ATOM 721 OG SER A 51 -0.886 -15.380 -4.424 1.00 0.00 O ATOM 0 H SER A 51 -2.312 -12.142 -6.051 1.00 0.00 H new ATOM 0 HA SER A 51 -1.281 -13.136 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.138 -14.422 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.428 -14.294 -6.111 1.00 0.00 H new ATOM 0 HG SER A 51 -0.931 -16.222 -4.924 1.00 0.00 H new ATOM 727 N GLY A 52 1.096 -12.443 -3.649 1.00 0.00 N ATOM 728 CA GLY A 52 2.437 -11.888 -3.682 1.00 0.00 C ATOM 729 C GLY A 52 2.632 -10.781 -2.665 1.00 0.00 C ATOM 730 O GLY A 52 1.763 -10.539 -1.827 1.00 0.00 O ATOM 0 H GLY A 52 0.844 -12.900 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.160 -12.682 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.642 -11.500 -4.680 1.00 0.00 H new ATOM 734 N GLN A 53 3.774 -10.106 -2.739 1.00 0.00 N ATOM 735 CA GLN A 53 4.080 -9.018 -1.818 1.00 0.00 C ATOM 736 C GLN A 53 3.354 -7.741 -2.230 1.00 0.00 C ATOM 737 O GLN A 53 3.416 -7.324 -3.386 1.00 0.00 O ATOM 738 CB GLN A 53 5.590 -8.772 -1.770 1.00 0.00 C ATOM 739 CG GLN A 53 6.238 -9.222 -0.471 1.00 0.00 C ATOM 740 CD GLN A 53 5.986 -10.687 -0.171 1.00 0.00 C ATOM 741 OE1 GLN A 53 5.429 -10.964 1.001 1.00 0.00 O flip ATOM 742 NE2 GLN A 53 6.290 -11.560 -0.984 1.00 0.00 N flip ATOM 0 H GLN A 53 4.503 -10.293 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 53 3.737 -9.305 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.062 -9.295 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.781 -7.708 -1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.312 -9.045 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.856 -8.616 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.717 -11.302 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.115 -12.541 -0.768 1.00 0.00 H new ATOM 751 N TRP A 54 2.664 -7.125 -1.275 1.00 0.00 N ATOM 752 CA TRP A 54 1.925 -5.895 -1.539 1.00 0.00 C ATOM 753 C TRP A 54 2.010 -4.943 -0.350 1.00 0.00 C ATOM 754 O TRP A 54 2.345 -5.351 0.762 1.00 0.00 O ATOM 755 CB TRP A 54 0.461 -6.213 -1.849 1.00 0.00 C ATOM 756 CG TRP A 54 0.281 -7.013 -3.103 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.148 -8.369 -3.199 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.217 -6.506 -4.441 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.004 -8.736 -4.515 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.043 -7.611 -5.297 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.288 -5.227 -4.999 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.060 -7.473 -6.679 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.186 -5.092 -6.370 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.013 -6.209 -7.197 1.00 0.00 C ATOM 0 H TRP A 54 2.601 -7.457 -0.313 1.00 0.00 H new ATOM 0 HA TRP A 54 2.375 -5.408 -2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.030 -6.762 -1.011 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.095 -5.280 -1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.155 -9.053 -2.363 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.113 -9.691 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.420 -4.359 -4.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.193 -8.333 -7.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.241 -4.108 -6.812 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.064 -6.070 -8.265 1.00 0.00 H new ATOM 775 N ALA A 55 1.707 -3.672 -0.593 1.00 0.00 N ATOM 776 CA ALA A 55 1.750 -2.662 0.458 1.00 0.00 C ATOM 777 C ALA A 55 0.643 -1.630 0.275 1.00 0.00 C ATOM 778 O ALA A 55 -0.071 -1.640 -0.727 1.00 0.00 O ATOM 779 CB ALA A 55 3.111 -1.982 0.477 1.00 0.00 C ATOM 0 H ALA A 55 1.429 -3.317 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 55 1.590 -3.160 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.131 -1.230 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.886 -2.725 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.292 -1.503 -0.485 1.00 0.00 H new ATOM 785 N GLY A 56 0.507 -0.739 1.252 1.00 0.00 N ATOM 786 CA GLY A 56 -0.515 0.290 1.182 1.00 0.00 C ATOM 787 C GLY A 56 0.062 1.687 1.304 1.00 0.00 C ATOM 788 O GLY A 56 0.636 2.041 2.334 1.00 0.00 O ATOM 0 H GLY A 56 1.086 -0.711 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.051 0.202 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.243 0.130 1.977 1.00 0.00 H new ATOM 792 N ILE A 57 -0.090 2.483 0.250 1.00 0.00 N ATOM 793 CA ILE A 57 0.421 3.848 0.242 1.00 0.00 C ATOM 794 C ILE A 57 -0.690 4.849 -0.056 1.00 0.00 C ATOM 795 O ILE A 57 -1.578 4.583 -0.867 1.00 0.00 O ATOM 796 CB ILE A 57 1.546 4.022 -0.797 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.569 2.888 -0.674 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.220 5.374 -0.625 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.811 2.150 -1.972 1.00 0.00 C ATOM 0 H ILE A 57 -0.563 2.205 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 57 0.823 4.040 1.237 1.00 0.00 H new ATOM 0 HB ILE A 57 1.108 3.980 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.514 3.299 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.225 2.179 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.012 5.482 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.485 6.167 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.647 5.443 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.546 1.361 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.877 1.710 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.185 2.847 -2.722 1.00 0.00 H new ATOM 811 N GLU A 58 -0.633 6.003 0.603 1.00 0.00 N ATOM 812 CA GLU A 58 -1.635 7.044 0.407 1.00 0.00 C ATOM 813 C GLU A 58 -1.063 8.204 -0.404 1.00 0.00 C ATOM 814 O GLU A 58 -0.324 9.037 0.122 1.00 0.00 O ATOM 815 CB GLU A 58 -2.142 7.553 1.758 1.00 0.00 C ATOM 816 CG GLU A 58 -3.442 8.336 1.665 1.00 0.00 C ATOM 817 CD GLU A 58 -3.228 9.833 1.761 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.805 10.306 2.837 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.483 10.535 0.759 1.00 0.00 O ATOM 0 H GLU A 58 0.096 6.240 1.276 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.468 6.612 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.286 6.704 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.378 8.186 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.936 8.103 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.112 8.016 2.463 1.00 0.00 H new ATOM 826 N LEU A 59 -1.410 8.251 -1.686 1.00 0.00 N ATOM 827 CA LEU A 59 -0.931 9.308 -2.569 1.00 0.00 C ATOM 828 C LEU A 59 -1.416 10.675 -2.093 1.00 0.00 C ATOM 829 O LEU A 59 -2.539 10.812 -1.610 1.00 0.00 O ATOM 830 CB LEU A 59 -1.402 9.058 -4.003 1.00 0.00 C ATOM 831 CG LEU A 59 -1.069 7.673 -4.562 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.646 7.511 -5.960 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.435 7.452 -4.573 1.00 0.00 C ATOM 0 H LEU A 59 -2.021 7.570 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 59 0.159 9.300 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.482 9.200 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.956 9.812 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.521 6.921 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.400 6.520 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.729 7.627 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.223 8.270 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.654 6.462 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.909 8.209 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.821 7.526 -3.556 1.00 0.00 H new ATOM 845 N ASP A 60 -0.560 11.682 -2.234 1.00 0.00 N ATOM 846 CA ASP A 60 -0.901 13.038 -1.819 1.00 0.00 C ATOM 847 C ASP A 60 -1.974 13.632 -2.727 1.00 0.00 C ATOM 848 O ASP A 60 -2.797 14.436 -2.289 1.00 0.00 O ATOM 849 CB ASP A 60 0.344 13.926 -1.834 1.00 0.00 C ATOM 850 CG ASP A 60 0.271 15.041 -0.808 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.327 14.737 0.403 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.159 16.216 -1.214 1.00 0.00 O ATOM 0 H ASP A 60 0.374 11.585 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.295 12.992 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.225 13.315 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.467 14.357 -2.827 1.00 0.00 H new ATOM 857 N GLU A 61 -1.958 13.230 -3.994 1.00 0.00 N ATOM 858 CA GLU A 61 -2.930 13.722 -4.964 1.00 0.00 C ATOM 859 C GLU A 61 -3.794 12.581 -5.496 1.00 0.00 C ATOM 860 O GLU A 61 -3.367 11.426 -5.517 1.00 0.00 O ATOM 861 CB GLU A 61 -2.216 14.419 -6.124 1.00 0.00 C ATOM 862 CG GLU A 61 -1.714 15.812 -5.779 1.00 0.00 C ATOM 863 CD GLU A 61 -1.068 16.508 -6.961 1.00 0.00 C ATOM 864 OE1 GLU A 61 0.057 16.119 -7.336 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.687 17.443 -7.510 1.00 0.00 O ATOM 0 H GLU A 61 -1.283 12.565 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.577 14.440 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.373 13.806 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.898 14.487 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.547 16.415 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.993 15.743 -4.964 1.00 0.00 H new ATOM 872 N PRO A 62 -5.027 12.890 -5.933 1.00 0.00 N ATOM 873 CA PRO A 62 -5.950 11.885 -6.466 1.00 0.00 C ATOM 874 C PRO A 62 -5.319 11.045 -7.571 1.00 0.00 C ATOM 875 O PRO A 62 -5.258 11.465 -8.726 1.00 0.00 O ATOM 876 CB PRO A 62 -7.105 12.721 -7.024 1.00 0.00 C ATOM 877 CG PRO A 62 -7.065 13.989 -6.245 1.00 0.00 C ATOM 878 CD PRO A 62 -5.615 14.243 -5.943 1.00 0.00 C ATOM 0 HA PRO A 62 -6.255 11.169 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.980 12.907 -8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.060 12.210 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.495 14.812 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.645 13.901 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.152 14.877 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.486 14.745 -4.984 1.00 0.00 H new ATOM 886 N GLU A 63 -4.851 9.855 -7.208 1.00 0.00 N ATOM 887 CA GLU A 63 -4.223 8.954 -8.169 1.00 0.00 C ATOM 888 C GLU A 63 -4.330 7.505 -7.706 1.00 0.00 C ATOM 889 O GLU A 63 -3.463 6.682 -8.001 1.00 0.00 O ATOM 890 CB GLU A 63 -2.754 9.334 -8.370 1.00 0.00 C ATOM 891 CG GLU A 63 -2.515 10.214 -9.586 1.00 0.00 C ATOM 892 CD GLU A 63 -2.681 9.462 -10.891 1.00 0.00 C ATOM 893 OE1 GLU A 63 -3.834 9.140 -11.248 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.659 9.195 -11.557 1.00 0.00 O ATOM 0 H GLU A 63 -4.895 9.492 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.748 9.051 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.396 9.853 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.162 8.424 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.209 11.054 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.509 10.631 -9.536 1.00 0.00 H new ATOM 901 N GLY A 64 -5.400 7.198 -6.981 1.00 0.00 N ATOM 902 CA GLY A 64 -5.602 5.848 -6.489 1.00 0.00 C ATOM 903 C GLY A 64 -6.978 5.307 -6.827 1.00 0.00 C ATOM 904 O GLY A 64 -7.898 6.071 -7.121 1.00 0.00 O ATOM 0 H GLY A 64 -6.132 7.861 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.843 5.192 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.465 5.834 -5.408 1.00 0.00 H new ATOM 908 N LYS A 65 -7.119 3.986 -6.784 1.00 0.00 N ATOM 909 CA LYS A 65 -8.393 3.344 -7.089 1.00 0.00 C ATOM 910 C LYS A 65 -8.922 2.584 -5.876 1.00 0.00 C ATOM 911 O LYS A 65 -9.607 1.570 -6.016 1.00 0.00 O ATOM 912 CB LYS A 65 -8.235 2.393 -8.278 1.00 0.00 C ATOM 913 CG LYS A 65 -9.037 2.810 -9.501 1.00 0.00 C ATOM 914 CD LYS A 65 -9.171 1.669 -10.496 1.00 0.00 C ATOM 915 CE LYS A 65 -10.175 0.632 -10.021 1.00 0.00 C ATOM 916 NZ LYS A 65 -10.018 -0.663 -10.740 1.00 0.00 N ATOM 0 H LYS A 65 -6.368 3.340 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.113 4.120 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.181 2.334 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.543 1.392 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.028 3.142 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.552 3.659 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.483 2.063 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.200 1.196 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.051 0.470 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.186 1.010 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.721 -1.343 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.162 -0.514 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.062 -1.037 -10.576 1.00 0.00 H new ATOM 930 N ASN A 66 -8.601 3.081 -4.686 1.00 0.00 N ATOM 931 CA ASN A 66 -9.044 2.448 -3.449 1.00 0.00 C ATOM 932 C ASN A 66 -9.304 3.492 -2.367 1.00 0.00 C ATOM 933 O ASN A 66 -9.012 4.674 -2.548 1.00 0.00 O ATOM 934 CB ASN A 66 -7.998 1.443 -2.962 1.00 0.00 C ATOM 935 CG ASN A 66 -7.879 0.243 -3.883 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.799 -0.568 -3.987 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.741 0.126 -4.556 1.00 0.00 N ATOM 0 H ASN A 66 -8.036 3.920 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.976 1.921 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.030 1.938 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.262 1.104 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.602 -0.660 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.005 0.823 -4.439 1.00 0.00 H new ATOM 944 N ASN A 67 -9.854 3.048 -1.242 1.00 0.00 N ATOM 945 CA ASN A 67 -10.155 3.945 -0.131 1.00 0.00 C ATOM 946 C ASN A 67 -9.497 3.457 1.156 1.00 0.00 C ATOM 947 O ASN A 67 -10.018 3.672 2.251 1.00 0.00 O ATOM 948 CB ASN A 67 -11.668 4.056 0.066 1.00 0.00 C ATOM 949 CG ASN A 67 -12.323 2.707 0.288 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.732 1.807 0.884 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.552 2.559 -0.193 1.00 0.00 N ATOM 0 H ASN A 67 -10.101 2.072 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.754 4.929 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.874 4.702 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.111 4.533 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.043 1.673 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.005 3.332 -0.681 1.00 0.00 H new ATOM 958 N GLY A 68 -8.349 2.802 1.017 1.00 0.00 N ATOM 959 CA GLY A 68 -7.640 2.295 2.177 1.00 0.00 C ATOM 960 C GLY A 68 -7.934 0.832 2.445 1.00 0.00 C ATOM 961 O GLY A 68 -7.102 0.117 3.003 1.00 0.00 O ATOM 0 H GLY A 68 -7.897 2.613 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.568 2.425 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.915 2.884 3.052 1.00 0.00 H new ATOM 965 N SER A 69 -9.121 0.387 2.045 1.00 0.00 N ATOM 966 CA SER A 69 -9.524 -1.000 2.245 1.00 0.00 C ATOM 967 C SER A 69 -9.920 -1.646 0.922 1.00 0.00 C ATOM 968 O SER A 69 -9.990 -0.979 -0.110 1.00 0.00 O ATOM 969 CB SER A 69 -10.689 -1.077 3.234 1.00 0.00 C ATOM 970 OG SER A 69 -11.847 -0.453 2.707 1.00 0.00 O ATOM 0 H SER A 69 -9.820 0.967 1.581 1.00 0.00 H new ATOM 0 HA SER A 69 -8.673 -1.545 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.907 -2.120 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.407 -0.596 4.171 1.00 0.00 H new ATOM 0 HG SER A 69 -11.582 0.285 2.119 1.00 0.00 H new ATOM 976 N VAL A 70 -10.180 -2.950 0.960 1.00 0.00 N ATOM 977 CA VAL A 70 -10.570 -3.686 -0.236 1.00 0.00 C ATOM 978 C VAL A 70 -11.678 -4.687 0.073 1.00 0.00 C ATOM 979 O VAL A 70 -11.424 -5.759 0.623 1.00 0.00 O ATOM 980 CB VAL A 70 -9.373 -4.435 -0.850 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.751 -5.031 -2.199 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.175 -3.507 -0.986 1.00 0.00 C ATOM 0 H VAL A 70 -10.127 -3.517 1.806 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.936 -2.952 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.097 -5.251 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.893 -5.556 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.577 -5.730 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.054 -4.233 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.339 -4.054 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.436 -2.668 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.891 -3.133 -0.002 1.00 0.00 H new ATOM 992 N GLY A 71 -12.907 -4.331 -0.284 1.00 0.00 N ATOM 993 CA GLY A 71 -14.035 -5.210 -0.036 1.00 0.00 C ATOM 994 C GLY A 71 -14.361 -5.332 1.440 1.00 0.00 C ATOM 995 O GLY A 71 -15.022 -4.464 2.010 1.00 0.00 O ATOM 0 H GLY A 71 -13.142 -3.450 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.909 -4.834 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.817 -6.199 -0.440 1.00 0.00 H new ATOM 999 N ARG A 72 -13.896 -6.412 2.058 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.142 -6.646 3.477 1.00 0.00 C ATOM 1001 C ARG A 72 -12.859 -6.483 4.287 1.00 0.00 C ATOM 1002 O ARG A 72 -12.896 -6.096 5.454 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.719 -8.046 3.692 1.00 0.00 C ATOM 1004 CG ARG A 72 -15.662 -8.140 4.881 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.578 -9.351 4.775 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.331 -10.317 5.843 1.00 0.00 N ATOM 1007 CZ ARG A 72 -15.327 -11.191 5.836 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -14.474 -11.225 4.821 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -15.177 -12.035 6.848 1.00 0.00 N ATOM 0 H ARG A 72 -13.347 -7.139 1.599 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.864 -5.906 3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.251 -8.353 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.899 -8.750 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.082 -8.201 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.263 -7.233 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.617 -9.024 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.432 -9.833 3.808 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.966 -10.322 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.585 -10.579 4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.707 -11.897 4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.831 -12.014 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.408 -12.705 6.844 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.727 -6.781 3.658 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.433 -6.668 4.320 1.00 0.00 C ATOM 1025 C VAL A 73 -10.004 -5.209 4.440 1.00 0.00 C ATOM 1026 O VAL A 73 -10.151 -4.429 3.500 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.343 -7.450 3.563 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.054 -7.487 4.368 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.822 -8.858 3.244 1.00 0.00 C ATOM 0 H VAL A 73 -11.680 -7.102 2.691 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.549 -7.095 5.316 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.141 -6.937 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.296 -8.044 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.703 -6.469 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.237 -7.974 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.039 -9.396 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.054 -9.382 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.716 -8.806 2.623 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.471 -4.849 5.603 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.020 -3.483 5.847 1.00 0.00 C ATOM 1041 C GLN A 74 -7.502 -3.429 5.988 1.00 0.00 C ATOM 1042 O GLN A 74 -6.897 -4.290 6.625 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.682 -2.921 7.106 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.291 -1.485 7.410 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.117 -0.479 6.632 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.339 -0.596 6.546 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.451 0.516 6.058 1.00 0.00 N ATOM 0 H GLN A 74 -9.341 -5.483 6.391 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.309 -2.873 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.765 -2.978 6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.417 -3.549 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.409 -1.298 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.236 -1.342 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.437 0.574 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.953 1.222 5.520 1.00 0.00 H new ATOM 1056 N TYR A 75 -6.894 -2.409 5.390 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.446 -2.241 5.449 1.00 0.00 C ATOM 1058 C TYR A 75 -5.080 -0.921 6.118 1.00 0.00 C ATOM 1059 O TYR A 75 -4.525 -0.902 7.218 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.848 -2.297 4.043 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.229 -3.539 3.270 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.528 -3.726 2.814 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.290 -4.525 2.996 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.880 -4.860 2.107 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.634 -5.661 2.289 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.930 -5.825 1.848 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.276 -6.955 1.144 1.00 0.00 O ATOM 0 H TYR A 75 -7.381 -1.687 4.859 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.034 -3.056 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.172 -1.419 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.762 -2.245 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.275 -2.973 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.274 -4.402 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.894 -4.990 1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.891 -6.417 2.083 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.140 -6.814 0.704 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.393 0.183 5.448 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.097 1.510 5.977 1.00 0.00 C ATOM 1079 C PHE A 76 -6.276 2.455 5.767 1.00 0.00 C ATOM 1080 O PHE A 76 -7.218 2.135 5.042 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.845 2.081 5.308 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.997 2.291 3.829 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -4.093 1.210 2.968 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.043 3.570 3.300 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.232 1.400 1.607 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.183 3.768 1.939 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.277 2.680 1.091 1.00 0.00 C ATOM 0 H PHE A 76 -5.852 0.185 4.537 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.917 1.415 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.594 3.032 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.008 1.406 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.059 0.207 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.969 4.423 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.305 0.548 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.219 4.771 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.385 2.831 0.027 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.217 3.619 6.405 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.280 4.610 6.288 1.00 0.00 C ATOM 1099 C LYS A 77 -6.848 5.769 5.395 1.00 0.00 C ATOM 1100 O LYS A 77 -5.705 6.221 5.458 1.00 0.00 O ATOM 1101 CB LYS A 77 -7.674 5.132 7.671 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.856 4.399 8.284 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.520 2.945 8.577 1.00 0.00 C ATOM 1104 CE LYS A 77 -8.207 2.732 10.050 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.441 2.723 10.884 1.00 0.00 N ATOM 0 H LYS A 77 -5.444 3.899 7.009 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.144 4.128 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.818 5.047 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.915 6.192 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.156 4.897 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.707 4.447 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.358 2.311 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.665 2.639 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.677 1.788 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.540 3.521 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.185 2.575 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.934 3.633 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.067 1.954 10.570 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.771 6.246 4.566 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.486 7.354 3.661 1.00 0.00 C ATOM 1121 C CYS A 78 -8.744 7.779 2.911 1.00 0.00 C ATOM 1122 O CYS A 78 -9.774 7.109 2.974 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.395 6.958 2.665 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.850 5.590 1.575 1.00 0.00 S ATOM 0 H CYS A 78 -8.722 5.883 4.502 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.136 8.197 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.143 7.826 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.496 6.684 3.217 1.00 0.00 H new ATOM 0 HG CYS A 78 -5.981 4.631 1.697 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.653 8.899 2.200 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.784 9.414 1.439 1.00 0.00 C ATOM 1132 C ALA A 79 -9.995 8.611 0.158 1.00 0.00 C ATOM 1133 O ALA A 79 -9.077 7.951 -0.330 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.572 10.885 1.111 1.00 0.00 C ATOM 0 H ALA A 79 -7.808 9.466 2.136 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.679 9.314 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.424 11.257 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.476 11.454 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.663 10.999 0.520 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.215 8.653 -0.405 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.544 7.925 -1.636 1.00 0.00 C ATOM 1142 C PRO A 80 -10.696 8.380 -2.820 1.00 0.00 C ATOM 1143 O PRO A 80 -10.346 9.556 -2.930 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.021 8.260 -1.879 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.532 8.746 -0.566 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.367 9.411 0.108 1.00 0.00 C ATOM 0 HA PRO A 80 -11.351 6.857 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.130 9.022 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.573 7.383 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.356 9.446 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.912 7.920 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.302 10.468 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.440 9.350 1.194 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.371 7.443 -3.705 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.568 7.749 -4.883 1.00 0.00 C ATOM 1156 C LYS A 81 -8.204 8.304 -4.485 1.00 0.00 C ATOM 1157 O LYS A 81 -7.739 9.298 -5.043 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.301 8.750 -5.778 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.723 8.335 -6.118 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.618 9.543 -6.343 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.228 10.296 -7.604 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.419 10.832 -8.321 1.00 0.00 N ATOM 0 H LYS A 81 -10.652 6.465 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.413 6.823 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.323 9.720 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.738 8.878 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.717 7.713 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.128 7.726 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.656 9.219 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.553 10.211 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.560 11.117 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.674 9.632 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.111 11.339 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.044 10.046 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.934 11.486 -7.698 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.563 7.653 -3.519 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.250 8.079 -3.050 1.00 0.00 C ATOM 1178 C TYR A 82 -5.386 6.876 -2.688 1.00 0.00 C ATOM 1179 O TYR A 82 -4.225 6.789 -3.089 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.391 9.002 -1.837 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.840 10.402 -2.191 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.978 11.292 -2.819 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.127 10.834 -1.895 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.385 12.571 -3.142 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.542 12.113 -2.215 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.667 12.978 -2.838 1.00 0.00 C ATOM 1187 OH TYR A 82 -8.076 14.251 -3.159 1.00 0.00 O ATOM 0 H TYR A 82 -7.932 6.828 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.764 8.625 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.106 8.565 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.433 9.056 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.973 10.978 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.815 10.159 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.702 13.250 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.546 12.433 -1.978 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.006 14.376 -2.878 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.960 5.949 -1.928 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.229 4.762 -1.525 1.00 0.00 C ATOM 1199 C GLY A 83 -4.936 3.839 -2.692 1.00 0.00 C ATOM 1200 O GLY A 83 -5.773 3.663 -3.577 1.00 0.00 O ATOM 0 H GLY A 83 -6.919 5.999 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.291 5.058 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.805 4.222 -0.774 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.745 3.250 -2.694 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.344 2.342 -3.761 1.00 0.00 C ATOM 1206 C ILE A 84 -2.317 1.329 -3.262 1.00 0.00 C ATOM 1207 O ILE A 84 -1.487 1.641 -2.408 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.759 3.112 -4.963 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.422 2.148 -6.104 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.526 3.900 -4.543 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.734 2.705 -7.476 1.00 0.00 C ATOM 0 H ILE A 84 -3.041 3.385 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.241 1.813 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.510 3.817 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.363 1.896 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.977 1.221 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.127 4.437 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.798 4.613 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.770 3.215 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.470 1.969 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.798 2.931 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.158 3.616 -7.638 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.382 0.116 -3.799 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.459 -0.943 -3.408 1.00 0.00 C ATOM 1225 C PHE A 85 -0.447 -1.225 -4.516 1.00 0.00 C ATOM 1226 O PHE A 85 -0.794 -1.245 -5.697 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.230 -2.221 -3.071 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.124 -2.083 -1.872 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.349 -1.442 -1.976 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.741 -2.593 -0.643 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.175 -1.314 -0.875 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.563 -2.468 0.462 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.781 -1.827 0.345 1.00 0.00 C ATOM 0 H PHE A 85 -3.064 -0.159 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.917 -0.607 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.832 -2.510 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.520 -3.028 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.661 -1.038 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.789 -3.094 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.127 -0.813 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.253 -2.871 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.424 -1.727 1.207 1.00 0.00 H new ATOM 1243 N ALA A 86 0.804 -1.442 -4.124 1.00 0.00 N ATOM 1244 CA ALA A 86 1.867 -1.724 -5.081 1.00 0.00 C ATOM 1245 C ALA A 86 2.849 -2.750 -4.519 1.00 0.00 C ATOM 1246 O ALA A 86 3.065 -2.814 -3.309 1.00 0.00 O ATOM 1247 CB ALA A 86 2.595 -0.441 -5.454 1.00 0.00 C ATOM 0 H ALA A 86 1.106 -1.428 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 86 1.415 -2.145 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.386 -0.666 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.890 0.260 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.031 0.003 -4.559 1.00 0.00 H new ATOM 1253 N PRO A 87 3.458 -3.569 -5.394 1.00 0.00 N ATOM 1254 CA PRO A 87 4.419 -4.595 -4.974 1.00 0.00 C ATOM 1255 C PRO A 87 5.569 -4.013 -4.156 1.00 0.00 C ATOM 1256 O PRO A 87 6.334 -3.185 -4.644 1.00 0.00 O ATOM 1257 CB PRO A 87 4.939 -5.169 -6.295 1.00 0.00 C ATOM 1258 CG PRO A 87 3.874 -4.863 -7.290 1.00 0.00 C ATOM 1259 CD PRO A 87 3.259 -3.564 -6.854 1.00 0.00 C ATOM 0 HA PRO A 87 3.957 -5.340 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.887 -4.713 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.112 -6.242 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.291 -4.780 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.128 -5.657 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.747 -2.710 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.202 -3.511 -7.116 1.00 0.00 H new ATOM 1267 N LEU A 88 5.676 -4.454 -2.903 1.00 0.00 N ATOM 1268 CA LEU A 88 6.729 -3.982 -2.011 1.00 0.00 C ATOM 1269 C LEU A 88 8.075 -4.038 -2.716 1.00 0.00 C ATOM 1270 O LEU A 88 8.848 -3.080 -2.689 1.00 0.00 O ATOM 1271 CB LEU A 88 6.768 -4.827 -0.736 1.00 0.00 C ATOM 1272 CG LEU A 88 7.490 -4.180 0.447 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.594 -3.154 1.123 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.932 -5.243 1.442 1.00 0.00 C ATOM 0 H LEU A 88 5.045 -5.138 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 88 6.515 -2.949 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.745 -5.054 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.252 -5.777 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 88 8.376 -3.666 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.125 -2.704 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.324 -2.378 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.690 -3.643 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.444 -4.768 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.059 -5.782 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.610 -5.942 0.951 1.00 0.00 H new ATOM 1286 N SER A 89 8.333 -5.167 -3.367 1.00 0.00 N ATOM 1287 CA SER A 89 9.571 -5.352 -4.107 1.00 0.00 C ATOM 1288 C SER A 89 9.735 -4.235 -5.129 1.00 0.00 C ATOM 1289 O SER A 89 10.850 -3.904 -5.532 1.00 0.00 O ATOM 1290 CB SER A 89 9.579 -6.712 -4.807 1.00 0.00 C ATOM 1291 OG SER A 89 10.900 -7.205 -4.951 1.00 0.00 O ATOM 0 H SER A 89 7.700 -5.966 -3.396 1.00 0.00 H new ATOM 0 HA SER A 89 10.406 -5.320 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.983 -7.423 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.112 -6.622 -5.788 1.00 0.00 H new ATOM 0 HG SER A 89 10.877 -8.076 -5.400 1.00 0.00 H new ATOM 1297 N LYS A 90 8.609 -3.645 -5.532 1.00 0.00 N ATOM 1298 CA LYS A 90 8.629 -2.552 -6.494 1.00 0.00 C ATOM 1299 C LYS A 90 8.637 -1.203 -5.776 1.00 0.00 C ATOM 1300 O LYS A 90 8.897 -0.168 -6.388 1.00 0.00 O ATOM 1301 CB LYS A 90 7.421 -2.639 -7.429 1.00 0.00 C ATOM 1302 CG LYS A 90 7.554 -3.717 -8.495 1.00 0.00 C ATOM 1303 CD LYS A 90 7.278 -3.167 -9.886 1.00 0.00 C ATOM 1304 CE LYS A 90 6.353 -4.082 -10.674 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.834 -5.491 -10.676 1.00 0.00 N ATOM 0 H LYS A 90 7.678 -3.907 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 90 9.540 -2.638 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.527 -2.833 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.278 -1.674 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.558 -4.139 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.860 -4.529 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.829 -2.177 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.218 -3.047 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.351 -4.041 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.276 -3.723 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.495 -5.972 -11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.874 -5.503 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.470 -5.983 -9.835 1.00 0.00 H new ATOM 1319 N ILE A 91 8.353 -1.221 -4.473 1.00 0.00 N ATOM 1320 CA ILE A 91 8.333 0.004 -3.682 1.00 0.00 C ATOM 1321 C ILE A 91 9.621 0.158 -2.879 1.00 0.00 C ATOM 1322 O ILE A 91 10.214 -0.828 -2.441 1.00 0.00 O ATOM 1323 CB ILE A 91 7.130 0.034 -2.719 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.827 -0.192 -3.488 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.082 1.355 -1.965 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.636 -0.460 -2.593 1.00 0.00 C ATOM 0 H ILE A 91 8.135 -2.068 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 91 8.244 0.833 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 91 7.248 -0.771 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.620 0.685 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.957 -1.034 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.226 1.358 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.999 1.479 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.986 2.176 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.747 -0.611 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.822 -1.354 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.480 0.391 -1.930 1.00 0.00 H new ATOM 1338 N SER A 92 10.048 1.402 -2.690 1.00 0.00 N ATOM 1339 CA SER A 92 11.266 1.687 -1.939 1.00 0.00 C ATOM 1340 C SER A 92 11.149 3.012 -1.193 1.00 0.00 C ATOM 1341 O SER A 92 10.124 3.690 -1.269 1.00 0.00 O ATOM 1342 CB SER A 92 12.473 1.724 -2.880 1.00 0.00 C ATOM 1343 OG SER A 92 12.413 0.671 -3.827 1.00 0.00 O ATOM 0 H SER A 92 9.569 2.229 -3.046 1.00 0.00 H new ATOM 0 HA SER A 92 11.407 0.891 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.505 2.682 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.393 1.644 -2.300 1.00 0.00 H new ATOM 0 HG SER A 92 13.194 0.717 -4.417 1.00 0.00 H new ATOM 1349 N LYS A 93 12.205 3.376 -0.472 1.00 0.00 N ATOM 1350 CA LYS A 93 12.219 4.620 0.288 1.00 0.00 C ATOM 1351 C LYS A 93 12.494 5.812 -0.623 1.00 0.00 C ATOM 1352 O LYS A 93 13.244 5.705 -1.593 1.00 0.00 O ATOM 1353 CB LYS A 93 13.275 4.555 1.393 1.00 0.00 C ATOM 1354 CG LYS A 93 13.237 5.744 2.339 1.00 0.00 C ATOM 1355 CD LYS A 93 14.632 6.149 2.785 1.00 0.00 C ATOM 1356 CE LYS A 93 14.594 7.354 3.711 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.938 7.673 4.267 1.00 0.00 N ATOM 0 H LYS A 93 13.062 2.827 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 93 11.236 4.750 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.133 3.639 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.263 4.495 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.753 6.587 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.633 5.496 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.109 5.312 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.242 6.379 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.213 8.218 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.900 7.161 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.867 8.501 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.292 6.859 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.595 7.883 3.488 1.00 0.00 H new ATOM 1371 N LEU A 94 11.881 6.947 -0.303 1.00 0.00 N ATOM 1372 CA LEU A 94 12.060 8.161 -1.092 1.00 0.00 C ATOM 1373 C LEU A 94 13.412 8.804 -0.799 1.00 0.00 C ATOM 1374 O LEU A 94 13.922 8.719 0.317 1.00 0.00 O ATOM 1375 CB LEU A 94 10.934 9.154 -0.799 1.00 0.00 C ATOM 1376 CG LEU A 94 10.628 10.138 -1.929 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.994 9.417 -3.107 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.720 11.253 -1.432 1.00 0.00 C ATOM 0 H LEU A 94 11.256 7.052 0.497 1.00 0.00 H new ATOM 0 HA LEU A 94 12.029 7.889 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.027 8.594 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.194 9.721 0.095 1.00 0.00 H new ATOM 0 HG LEU A 94 11.566 10.582 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.783 10.133 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.679 8.654 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.065 8.946 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.512 11.944 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.784 10.826 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.212 11.788 -0.620 1.00 0.00 H new ATOM 1390 N LYS A 95 13.987 9.447 -1.812 1.00 0.00 N ATOM 1391 CA LYS A 95 15.280 10.105 -1.662 1.00 0.00 C ATOM 1392 C LYS A 95 15.137 11.419 -0.900 1.00 0.00 C ATOM 1393 O LYS A 95 14.248 12.220 -1.185 1.00 0.00 O ATOM 1394 CB LYS A 95 15.906 10.360 -3.035 1.00 0.00 C ATOM 1395 CG LYS A 95 16.921 9.305 -3.446 1.00 0.00 C ATOM 1396 CD LYS A 95 17.295 9.434 -4.914 1.00 0.00 C ATOM 1397 CE LYS A 95 17.659 8.085 -5.515 1.00 0.00 C ATOM 1398 NZ LYS A 95 16.571 7.086 -5.336 1.00 0.00 N ATOM 0 H LYS A 95 13.578 9.526 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 95 15.933 9.446 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.115 10.402 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.391 11.336 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.816 9.401 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.511 8.312 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.461 9.867 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.136 10.119 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.870 8.206 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.572 7.715 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.589 6.408 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.710 6.578 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.652 7.573 -5.319 1.00 0.00 H new ATOM 1412 N ASP A 96 16.022 11.634 0.069 1.00 0.00 N ATOM 1413 CA ASP A 96 15.995 12.851 0.873 1.00 0.00 C ATOM 1414 C ASP A 96 16.681 14.000 0.141 1.00 0.00 C ATOM 1415 O ASP A 96 16.296 15.159 0.286 1.00 0.00 O ATOM 1416 CB ASP A 96 16.675 12.611 2.222 1.00 0.00 C ATOM 1417 CG ASP A 96 18.103 12.123 2.071 1.00 0.00 C ATOM 1418 OD1 ASP A 96 18.365 11.330 1.144 1.00 0.00 O ATOM 1419 OD2 ASP A 96 18.959 12.536 2.881 1.00 0.00 O ATOM 0 H ASP A 96 16.766 10.982 0.316 1.00 0.00 H new ATOM 0 HA ASP A 96 14.953 13.122 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.669 13.536 2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.102 11.878 2.790 1.00 0.00 H new ATOM 1424 N SER A 97 17.701 13.669 -0.645 1.00 0.00 N ATOM 1425 CA SER A 97 18.442 14.673 -1.399 1.00 0.00 C ATOM 1426 C SER A 97 18.190 14.524 -2.896 1.00 0.00 C ATOM 1427 O SER A 97 19.019 13.978 -3.624 1.00 0.00 O ATOM 1428 CB SER A 97 19.940 14.557 -1.108 1.00 0.00 C ATOM 1429 OG SER A 97 20.167 14.053 0.196 1.00 0.00 O ATOM 0 H SER A 97 18.033 12.713 -0.776 1.00 0.00 H new ATOM 0 HA SER A 97 18.093 15.657 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 97 20.407 13.900 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.411 15.535 -1.211 1.00 0.00 H new ATOM 0 HG SER A 97 21.131 13.986 0.358 1.00 0.00 H new ATOM 1435 N GLY A 98 17.040 15.013 -3.349 1.00 0.00 N ATOM 1436 CA GLY A 98 16.698 14.924 -4.757 1.00 0.00 C ATOM 1437 C GLY A 98 17.302 16.052 -5.573 1.00 0.00 C ATOM 1438 O GLY A 98 17.985 16.918 -5.027 1.00 0.00 O ATOM 0 H GLY A 98 16.338 15.470 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.043 13.969 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.614 14.941 -4.866 1.00 0.00 H new ATOM 1442 N PRO A 99 17.066 16.068 -6.896 1.00 0.00 N ATOM 1443 CA PRO A 99 17.599 17.111 -7.780 1.00 0.00 C ATOM 1444 C PRO A 99 17.275 18.514 -7.282 1.00 0.00 C ATOM 1445 O PRO A 99 16.575 18.683 -6.283 1.00 0.00 O ATOM 1446 CB PRO A 99 16.894 16.841 -9.113 1.00 0.00 C ATOM 1447 CG PRO A 99 16.550 15.393 -9.074 1.00 0.00 C ATOM 1448 CD PRO A 99 16.263 15.074 -7.632 1.00 0.00 C ATOM 0 HA PRO A 99 18.687 17.075 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.001 17.457 -9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.543 17.071 -9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.684 15.181 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.373 14.786 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.201 15.166 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.556 14.055 -7.380 1.00 0.00 H new ATOM 1456 N SER A 100 17.790 19.519 -7.983 1.00 0.00 N ATOM 1457 CA SER A 100 17.556 20.910 -7.611 1.00 0.00 C ATOM 1458 C SER A 100 18.091 21.196 -6.212 1.00 0.00 C ATOM 1459 O SER A 100 18.662 20.320 -5.563 1.00 0.00 O ATOM 1460 CB SER A 100 16.062 21.232 -7.674 1.00 0.00 C ATOM 1461 OG SER A 100 15.825 22.605 -7.415 1.00 0.00 O ATOM 0 H SER A 100 18.372 19.396 -8.812 1.00 0.00 H new ATOM 0 HA SER A 100 18.088 21.544 -8.320 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.672 20.972 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.525 20.623 -6.947 1.00 0.00 H new ATOM 0 HG SER A 100 14.863 22.786 -7.463 1.00 0.00 H new ATOM 1467 N SER A 101 17.903 22.429 -5.753 1.00 0.00 N ATOM 1468 CA SER A 101 18.366 22.833 -4.430 1.00 0.00 C ATOM 1469 C SER A 101 17.191 23.210 -3.534 1.00 0.00 C ATOM 1470 O SER A 101 17.165 22.867 -2.352 1.00 0.00 O ATOM 1471 CB SER A 101 19.335 24.012 -4.545 1.00 0.00 C ATOM 1472 OG SER A 101 20.676 23.563 -4.639 1.00 0.00 O ATOM 0 H SER A 101 17.433 23.166 -6.278 1.00 0.00 H new ATOM 0 HA SER A 101 18.885 21.987 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.085 24.608 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.226 24.662 -3.677 1.00 0.00 H new ATOM 0 HG SER A 101 21.275 24.335 -4.713 1.00 0.00 H new ATOM 1478 N GLY A 102 16.222 23.917 -4.105 1.00 0.00 N ATOM 1479 CA GLY A 102 15.058 24.329 -3.343 1.00 0.00 C ATOM 1480 C GLY A 102 15.378 25.414 -2.334 1.00 0.00 C ATOM 1481 O GLY A 102 15.482 25.094 -1.131 1.00 0.00 O ATOM 1482 OXT GLY A 102 15.527 26.584 -2.748 1.00 0.00 O ATOM 0 H GLY A 102 16.222 24.212 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 102 14.289 24.689 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.644 23.465 -2.823 1.00 0.00 H new TER 1486 GLY A 102