USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1100 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 41 GLN :FLIP amide:sc= -4.29! C(o=-34!,f=-21!) USER MOD Set 1.2: A 47 HIS :FLIP no HE2:sc= -0.892 F(o=-34!,f=-21) USER MOD Set 1.3: A 50 GLN :FLIP amide:sc= -4.18! C(o=-23!,f=-21!) USER MOD Set 1.4: A 51 GLN :FLIP amide:sc= -11.5! C(o=-22!,f=-21!) USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -4.47! C(o=-8.1!,f=-6.5!) USER MOD Set 2.2: A 107 ASN : amide:sc= -2.06! X(o=-6.5!,f=-7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 170:sc=0.000251 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -0.112 (180deg=-0.649) USER MOD Single : A 10 CYS SG : rot 80:sc= 0.413! USER MOD Single : A 14 TYR OH : rot 130:sc= -0.772 USER MOD Single : A 22 SER OG : rot 163:sc= -0.473 USER MOD Single : A 28 THR OG1 : rot -155:sc= -0.854 USER MOD Single : A 31 TYR OH : rot 136:sc= -9.13! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 45 TYR OH : rot 94:sc= -0.0458 USER MOD Single : A 46 GLN :FLIP amide:sc= -3.24! C(o=-5.8!,f=-3.2!) USER MOD Single : A 52 CYS SG : rot -110:sc= -0.206 USER MOD Single : A 53 THR OG1 : rot -77:sc= -2.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 66 THR OG1 : rot -52:sc= 1.02 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 68:sc= -0.321! USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= -0.844 (180deg=-1.74) USER MOD Single : A 74 SER OG : rot -54:sc= -0.349 USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= -1.31! (180deg=-1.88!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 143:sc= -0.246! USER MOD Single : A 90 GLN :FLIP amide:sc= -2.56 F(o=-6.1!,f=-2.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -140:sc= -0.655 USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.191 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.155 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ -140:sc= -4.48! (180deg=-7.04!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 118 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.792) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 146:sc= -11.1! (180deg=-17.6!) USER MOD Single : A 131 LYS NZ :NH3+ -119:sc= -0.102 (180deg=-0.573) USER MOD Single : A 136 ASN : amide:sc= -1.64! C(o=-1.6!,f=-6.8!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 141 SER OG : rot 15:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.858 -18.125 6.381 1.00 0.00 N ATOM 2 CA MET A 1 -14.993 -18.001 7.589 1.00 0.00 C ATOM 3 C MET A 1 -13.665 -18.719 7.341 1.00 0.00 C ATOM 4 O MET A 1 -13.460 -19.834 7.780 1.00 0.00 O ATOM 5 CB MET A 1 -15.699 -18.634 8.790 1.00 0.00 C ATOM 6 CG MET A 1 -16.645 -17.612 9.424 1.00 0.00 C ATOM 7 SD MET A 1 -15.685 -16.426 10.398 1.00 0.00 S ATOM 8 CE MET A 1 -17.087 -15.575 11.164 1.00 0.00 C ATOM 0 H1 MET A 1 -16.761 -17.637 6.549 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.378 -17.694 5.565 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.039 -19.130 6.185 1.00 0.00 H new ATOM 0 HA MET A 1 -14.804 -16.947 7.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.258 -19.515 8.474 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.964 -18.968 9.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.208 -17.092 8.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.371 -18.118 10.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.719 -14.786 11.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.715 -15.138 10.388 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.672 -16.288 11.745 1.00 0.00 H new ATOM 20 N ALA A 2 -12.761 -18.090 6.642 1.00 0.00 N ATOM 21 CA ALA A 2 -11.448 -18.738 6.367 1.00 0.00 C ATOM 22 C ALA A 2 -10.410 -17.664 6.032 1.00 0.00 C ATOM 23 O ALA A 2 -9.219 -17.898 6.095 1.00 0.00 O ATOM 24 CB ALA A 2 -11.590 -19.697 5.183 1.00 0.00 C ATOM 0 H ALA A 2 -12.875 -17.155 6.249 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.125 -19.294 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.629 -20.171 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.329 -20.462 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.912 -19.142 4.302 1.00 0.00 H new ATOM 30 N THR A 3 -10.853 -16.489 5.676 1.00 0.00 N ATOM 31 CA THR A 3 -9.890 -15.403 5.338 1.00 0.00 C ATOM 32 C THR A 3 -9.658 -14.526 6.570 1.00 0.00 C ATOM 33 O THR A 3 -10.549 -14.310 7.367 1.00 0.00 O ATOM 34 CB THR A 3 -10.464 -14.548 4.204 1.00 0.00 C ATOM 35 OG1 THR A 3 -11.546 -15.239 3.594 1.00 0.00 O ATOM 36 CG2 THR A 3 -9.375 -14.280 3.165 1.00 0.00 C ATOM 0 H THR A 3 -11.838 -16.235 5.605 1.00 0.00 H new ATOM 0 HA THR A 3 -8.944 -15.841 5.020 1.00 0.00 H new ATOM 0 HB THR A 3 -10.820 -13.599 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.016 -14.635 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.784 -13.672 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.546 -13.750 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.017 -15.227 2.760 1.00 0.00 H new ATOM 44 N LYS A 4 -8.468 -14.018 6.732 1.00 0.00 N ATOM 45 CA LYS A 4 -8.180 -13.155 7.912 1.00 0.00 C ATOM 46 C LYS A 4 -7.301 -11.978 7.481 1.00 0.00 C ATOM 47 O LYS A 4 -6.193 -12.159 7.016 1.00 0.00 O ATOM 48 CB LYS A 4 -7.449 -13.975 8.978 1.00 0.00 C ATOM 49 CG LYS A 4 -8.380 -14.206 10.170 1.00 0.00 C ATOM 50 CD LYS A 4 -7.687 -15.112 11.190 1.00 0.00 C ATOM 51 CE LYS A 4 -6.798 -14.266 12.104 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.203 -15.134 13.159 1.00 0.00 N ATOM 0 H LYS A 4 -7.682 -14.163 6.098 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.116 -12.778 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.130 -14.930 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.549 -13.451 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.641 -13.254 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.311 -14.663 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.430 -15.647 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.088 -15.864 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.009 -13.789 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.383 -13.468 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.599 -14.560 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.963 -15.569 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.632 -15.880 12.713 1.00 0.00 H new ATOM 66 N ILE A 5 -7.790 -10.777 7.632 1.00 0.00 N ATOM 67 CA ILE A 5 -6.990 -9.584 7.232 1.00 0.00 C ATOM 68 C ILE A 5 -6.631 -8.765 8.474 1.00 0.00 C ATOM 69 O ILE A 5 -7.384 -8.701 9.424 1.00 0.00 O ATOM 70 CB ILE A 5 -7.813 -8.718 6.276 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.099 -7.382 6.061 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.196 -8.465 6.877 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.273 -6.938 4.609 1.00 0.00 C ATOM 0 H ILE A 5 -8.712 -10.570 8.016 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.076 -9.912 6.737 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.922 -9.232 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.506 -6.628 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.040 -7.482 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.782 -7.848 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.705 -9.416 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.089 -7.950 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.764 -5.986 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.845 -7.689 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.334 -6.822 4.389 1.00 0.00 H new ATOM 85 N ASP A 6 -5.488 -8.132 8.472 1.00 0.00 N ATOM 86 CA ASP A 6 -5.090 -7.313 9.652 1.00 0.00 C ATOM 87 C ASP A 6 -5.501 -5.859 9.414 1.00 0.00 C ATOM 88 O ASP A 6 -4.674 -4.973 9.338 1.00 0.00 O ATOM 89 CB ASP A 6 -3.573 -7.391 9.840 1.00 0.00 C ATOM 90 CG ASP A 6 -3.220 -7.035 11.286 1.00 0.00 C ATOM 91 OD1 ASP A 6 -3.927 -7.479 12.174 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.247 -6.324 11.479 1.00 0.00 O ATOM 0 H ASP A 6 -4.815 -8.147 7.706 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.584 -7.693 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.217 -8.394 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.075 -6.706 9.154 1.00 0.00 H new ATOM 97 N LYS A 7 -6.777 -5.607 9.290 1.00 0.00 N ATOM 98 CA LYS A 7 -7.241 -4.211 9.050 1.00 0.00 C ATOM 99 C LYS A 7 -6.747 -3.306 10.180 1.00 0.00 C ATOM 100 O LYS A 7 -6.578 -2.115 10.004 1.00 0.00 O ATOM 101 CB LYS A 7 -8.773 -4.169 8.997 1.00 0.00 C ATOM 102 CG LYS A 7 -9.346 -5.573 9.212 1.00 0.00 C ATOM 103 CD LYS A 7 -8.979 -6.069 10.612 1.00 0.00 C ATOM 104 CE LYS A 7 -10.245 -6.167 11.466 1.00 0.00 C ATOM 105 NZ LYS A 7 -11.163 -7.184 10.877 1.00 0.00 N ATOM 0 H LYS A 7 -7.517 -6.307 9.345 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.840 -3.862 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.153 -3.492 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.101 -3.778 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.429 -5.556 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.953 -6.256 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.494 -7.043 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.266 -5.387 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.987 -6.443 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.741 -5.197 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.702 -7.647 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.821 -6.719 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.607 -7.897 10.363 1.00 0.00 H new ATOM 119 N GLU A 8 -6.516 -3.859 11.339 1.00 0.00 N ATOM 120 CA GLU A 8 -6.033 -3.025 12.477 1.00 0.00 C ATOM 121 C GLU A 8 -4.782 -2.257 12.049 1.00 0.00 C ATOM 122 O GLU A 8 -4.659 -1.071 12.286 1.00 0.00 O ATOM 123 CB GLU A 8 -5.696 -3.930 13.663 1.00 0.00 C ATOM 124 CG GLU A 8 -6.638 -3.618 14.827 1.00 0.00 C ATOM 125 CD GLU A 8 -6.412 -4.629 15.953 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.638 -5.805 15.719 1.00 0.00 O ATOM 127 OE2 GLU A 8 -6.019 -4.211 17.029 1.00 0.00 O ATOM 0 H GLU A 8 -6.640 -4.850 11.547 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.811 -2.319 12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.792 -4.977 13.374 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.661 -3.777 13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.460 -2.606 15.191 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.674 -3.658 14.491 1.00 0.00 H new ATOM 134 N ALA A 9 -3.850 -2.921 11.421 1.00 0.00 N ATOM 135 CA ALA A 9 -2.608 -2.225 10.980 1.00 0.00 C ATOM 136 C ALA A 9 -2.967 -1.109 9.998 1.00 0.00 C ATOM 137 O ALA A 9 -2.821 0.060 10.293 1.00 0.00 O ATOM 138 CB ALA A 9 -1.679 -3.228 10.294 1.00 0.00 C ATOM 0 H ALA A 9 -3.895 -3.915 11.194 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.105 -1.796 11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.770 -2.720 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.421 -4.023 10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.183 -3.657 9.428 1.00 0.00 H new ATOM 144 N CYS A 10 -3.431 -1.458 8.828 1.00 0.00 N ATOM 145 CA CYS A 10 -3.792 -0.416 7.828 1.00 0.00 C ATOM 146 C CYS A 10 -4.586 0.702 8.506 1.00 0.00 C ATOM 147 O CYS A 10 -4.198 1.851 8.477 1.00 0.00 O ATOM 148 CB CYS A 10 -4.642 -1.043 6.722 1.00 0.00 C ATOM 149 SG CYS A 10 -6.150 -0.070 6.491 1.00 0.00 S ATOM 0 H CYS A 10 -3.575 -2.421 8.523 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.880 -0.001 7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.076 -1.081 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.896 -2.070 6.983 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.885 0.975 5.765 1.00 0.00 H new ATOM 155 N ARG A 11 -5.703 0.386 9.103 1.00 0.00 N ATOM 156 CA ARG A 11 -6.522 1.445 9.761 1.00 0.00 C ATOM 157 C ARG A 11 -5.623 2.381 10.573 1.00 0.00 C ATOM 158 O ARG A 11 -5.581 3.572 10.337 1.00 0.00 O ATOM 159 CB ARG A 11 -7.542 0.788 10.694 1.00 0.00 C ATOM 160 CG ARG A 11 -8.265 1.866 11.503 1.00 0.00 C ATOM 161 CD ARG A 11 -9.768 1.583 11.505 1.00 0.00 C ATOM 162 NE ARG A 11 -10.434 2.442 12.523 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.730 2.594 12.502 1.00 0.00 C ATOM 164 NH1 ARG A 11 -12.443 1.993 11.588 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.315 3.346 13.394 1.00 0.00 N ATOM 0 H ARG A 11 -6.084 -0.558 9.164 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.037 2.024 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.262 0.210 10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.040 0.091 11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.886 1.883 12.525 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.070 2.849 11.074 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.187 1.779 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.950 0.531 11.726 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.877 2.912 13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.987 1.405 10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.456 2.112 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.759 3.816 14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.328 3.464 13.376 1.00 0.00 H new ATOM 179 N ALA A 12 -4.912 1.857 11.532 1.00 0.00 N ATOM 180 CA ALA A 12 -4.026 2.723 12.361 1.00 0.00 C ATOM 181 C ALA A 12 -3.069 3.510 11.460 1.00 0.00 C ATOM 182 O ALA A 12 -2.753 4.651 11.729 1.00 0.00 O ATOM 183 CB ALA A 12 -3.216 1.848 13.320 1.00 0.00 C ATOM 0 H ALA A 12 -4.906 0.867 11.778 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.639 3.423 12.928 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.567 2.479 13.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.895 1.294 13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.608 1.147 12.748 1.00 0.00 H new ATOM 189 N ALA A 13 -2.597 2.912 10.401 1.00 0.00 N ATOM 190 CA ALA A 13 -1.652 3.634 9.500 1.00 0.00 C ATOM 191 C ALA A 13 -2.430 4.505 8.510 1.00 0.00 C ATOM 192 O ALA A 13 -1.889 5.423 7.923 1.00 0.00 O ATOM 193 CB ALA A 13 -0.812 2.616 8.728 1.00 0.00 C ATOM 0 H ALA A 13 -2.823 1.958 10.120 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.003 4.271 10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.120 3.140 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.249 2.002 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.467 1.979 8.134 1.00 0.00 H new ATOM 199 N TYR A 14 -3.688 4.229 8.314 1.00 0.00 N ATOM 200 CA TYR A 14 -4.488 5.042 7.355 1.00 0.00 C ATOM 201 C TYR A 14 -4.763 6.420 7.957 1.00 0.00 C ATOM 202 O TYR A 14 -4.483 7.439 7.358 1.00 0.00 O ATOM 203 CB TYR A 14 -5.817 4.341 7.072 1.00 0.00 C ATOM 204 CG TYR A 14 -5.655 3.379 5.918 1.00 0.00 C ATOM 205 CD1 TYR A 14 -4.461 2.664 5.758 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.703 3.199 5.008 1.00 0.00 C ATOM 207 CE1 TYR A 14 -4.317 1.770 4.691 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.559 2.306 3.939 1.00 0.00 C ATOM 209 CZ TYR A 14 -5.366 1.592 3.782 1.00 0.00 C ATOM 210 OH TYR A 14 -5.225 0.709 2.730 1.00 0.00 O ATOM 0 H TYR A 14 -4.198 3.476 8.776 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.929 5.154 6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.152 3.805 7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.584 5.079 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.651 2.803 6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.624 3.750 5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.397 1.218 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.368 2.169 3.237 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.000 0.110 2.699 1.00 0.00 H new ATOM 220 N ASN A 15 -5.315 6.460 9.138 1.00 0.00 N ATOM 221 CA ASN A 15 -5.613 7.771 9.778 1.00 0.00 C ATOM 222 C ASN A 15 -4.303 8.471 10.145 1.00 0.00 C ATOM 223 O ASN A 15 -4.241 9.680 10.237 1.00 0.00 O ATOM 224 CB ASN A 15 -6.443 7.544 11.044 1.00 0.00 C ATOM 225 CG ASN A 15 -7.898 7.270 10.659 1.00 0.00 C ATOM 226 OD1 ASN A 15 -8.160 6.404 9.718 1.00 0.00 O flip ATOM 227 ND2 ASN A 15 -8.806 7.851 11.220 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.573 5.640 9.688 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.174 8.395 9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.041 6.703 11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.386 8.419 11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.601 8.528 11.955 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.773 7.662 10.956 1.00 0.00 H new ATOM 234 N LEU A 16 -3.255 7.722 10.353 1.00 0.00 N ATOM 235 CA LEU A 16 -1.954 8.353 10.711 1.00 0.00 C ATOM 236 C LEU A 16 -1.552 9.341 9.615 1.00 0.00 C ATOM 237 O LEU A 16 -1.413 10.524 9.852 1.00 0.00 O ATOM 238 CB LEU A 16 -0.877 7.274 10.843 1.00 0.00 C ATOM 239 CG LEU A 16 0.068 7.634 11.991 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.524 7.143 13.313 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.425 6.965 11.761 1.00 0.00 C ATOM 0 H LEU A 16 -3.243 6.704 10.291 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.056 8.879 11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.339 6.305 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.318 7.187 9.911 1.00 0.00 H new ATOM 0 HG LEU A 16 0.197 8.716 12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.149 7.400 14.131 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.491 7.618 13.477 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.653 6.061 13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.100 7.220 12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.295 5.883 11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.848 7.314 10.819 1.00 0.00 H new ATOM 253 N VAL A 17 -1.363 8.863 8.415 1.00 0.00 N ATOM 254 CA VAL A 17 -0.967 9.773 7.304 1.00 0.00 C ATOM 255 C VAL A 17 -1.933 10.957 7.237 1.00 0.00 C ATOM 256 O VAL A 17 -1.632 11.986 6.662 1.00 0.00 O ATOM 257 CB VAL A 17 -1.005 9.005 5.982 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.092 7.939 5.983 1.00 0.00 C ATOM 259 CG2 VAL A 17 -2.368 8.326 5.820 1.00 0.00 C ATOM 0 H VAL A 17 -1.466 7.882 8.157 1.00 0.00 H new ATOM 0 HA VAL A 17 0.042 10.144 7.482 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.844 9.699 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.067 7.390 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.064 8.418 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.073 7.248 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.392 7.779 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.530 7.633 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.153 9.082 5.822 1.00 0.00 H new ATOM 269 N ARG A 18 -3.094 10.822 7.816 1.00 0.00 N ATOM 270 CA ARG A 18 -4.080 11.940 7.782 1.00 0.00 C ATOM 271 C ARG A 18 -3.442 13.202 8.367 1.00 0.00 C ATOM 272 O ARG A 18 -3.761 14.308 7.977 1.00 0.00 O ATOM 273 CB ARG A 18 -5.310 11.561 8.609 1.00 0.00 C ATOM 274 CG ARG A 18 -6.515 12.372 8.131 1.00 0.00 C ATOM 275 CD ARG A 18 -7.371 12.774 9.334 1.00 0.00 C ATOM 276 NE ARG A 18 -7.600 11.584 10.200 1.00 0.00 N ATOM 277 CZ ARG A 18 -8.043 11.739 11.418 1.00 0.00 C ATOM 278 NH1 ARG A 18 -8.284 12.937 11.877 1.00 0.00 N ATOM 279 NH2 ARG A 18 -8.243 10.697 12.177 1.00 0.00 N ATOM 0 H ARG A 18 -3.403 9.986 8.312 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.379 12.129 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.513 10.495 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.124 11.754 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.179 13.261 7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.107 11.784 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.873 13.560 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.324 13.180 8.996 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.411 10.648 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.126 13.752 11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.630 13.058 12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.053 9.761 11.819 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.589 10.818 13.129 1.00 0.00 H new ATOM 293 N ASP A 19 -2.545 13.047 9.301 1.00 0.00 N ATOM 294 CA ASP A 19 -1.890 14.239 9.910 1.00 0.00 C ATOM 295 C ASP A 19 -0.865 14.817 8.931 1.00 0.00 C ATOM 296 O ASP A 19 -0.425 14.151 8.017 1.00 0.00 O ATOM 297 CB ASP A 19 -1.183 13.826 11.203 1.00 0.00 C ATOM 298 CG ASP A 19 -1.700 14.678 12.363 1.00 0.00 C ATOM 299 OD1 ASP A 19 -2.719 14.316 12.930 1.00 0.00 O ATOM 300 OD2 ASP A 19 -1.071 15.678 12.665 1.00 0.00 O ATOM 0 H ASP A 19 -2.237 12.147 9.669 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.645 14.994 10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.361 12.770 11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.106 13.953 11.097 1.00 0.00 H new ATOM 305 N ASP A 20 -0.488 16.054 9.112 1.00 0.00 N ATOM 306 CA ASP A 20 0.505 16.676 8.189 1.00 0.00 C ATOM 307 C ASP A 20 1.844 15.944 8.306 1.00 0.00 C ATOM 308 O ASP A 20 2.852 16.525 8.658 1.00 0.00 O ATOM 309 CB ASP A 20 0.695 18.148 8.562 1.00 0.00 C ATOM 310 CG ASP A 20 -0.666 18.844 8.604 1.00 0.00 C ATOM 311 OD1 ASP A 20 -1.436 18.653 7.677 1.00 0.00 O ATOM 312 OD2 ASP A 20 -0.916 19.557 9.562 1.00 0.00 O ATOM 0 H ASP A 20 -0.825 16.661 9.859 1.00 0.00 H new ATOM 0 HA ASP A 20 0.141 16.603 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.186 18.228 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.343 18.637 7.835 1.00 0.00 H new ATOM 317 N GLY A 21 1.861 14.672 8.012 1.00 0.00 N ATOM 318 CA GLY A 21 3.131 13.897 8.104 1.00 0.00 C ATOM 319 C GLY A 21 2.864 12.581 8.837 1.00 0.00 C ATOM 320 O GLY A 21 2.828 11.524 8.241 1.00 0.00 O ATOM 0 H GLY A 21 1.048 14.135 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.523 13.699 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.887 14.476 8.635 1.00 0.00 H new ATOM 324 N SER A 22 2.675 12.644 10.125 1.00 0.00 N ATOM 325 CA SER A 22 2.408 11.404 10.905 1.00 0.00 C ATOM 326 C SER A 22 3.519 10.388 10.642 1.00 0.00 C ATOM 327 O SER A 22 4.450 10.258 11.412 1.00 0.00 O ATOM 328 CB SER A 22 1.066 10.816 10.474 1.00 0.00 C ATOM 329 OG SER A 22 0.117 10.998 11.517 1.00 0.00 O ATOM 0 H SER A 22 2.694 13.504 10.673 1.00 0.00 H new ATOM 0 HA SER A 22 2.378 11.640 11.969 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.719 11.302 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.176 9.755 10.248 1.00 0.00 H new ATOM 0 HG SER A 22 -0.788 10.880 11.160 1.00 0.00 H new ATOM 335 N ALA A 23 3.425 9.669 9.560 1.00 0.00 N ATOM 336 CA ALA A 23 4.470 8.658 9.236 1.00 0.00 C ATOM 337 C ALA A 23 3.912 7.658 8.221 1.00 0.00 C ATOM 338 O ALA A 23 2.825 7.828 7.706 1.00 0.00 O ATOM 339 CB ALA A 23 4.874 7.913 10.511 1.00 0.00 C ATOM 0 H ALA A 23 2.666 9.738 8.882 1.00 0.00 H new ATOM 0 HA ALA A 23 5.342 9.159 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.639 7.173 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.269 8.623 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.002 7.411 10.931 1.00 0.00 H new ATOM 345 N VAL A 24 4.656 6.617 7.938 1.00 0.00 N ATOM 346 CA VAL A 24 4.200 5.581 6.958 1.00 0.00 C ATOM 347 C VAL A 24 3.332 6.214 5.866 1.00 0.00 C ATOM 348 O VAL A 24 2.128 6.060 5.859 1.00 0.00 O ATOM 349 CB VAL A 24 3.391 4.496 7.679 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.338 3.583 8.460 1.00 0.00 C ATOM 351 CG2 VAL A 24 2.396 5.140 8.649 1.00 0.00 C ATOM 0 H VAL A 24 5.572 6.438 8.350 1.00 0.00 H new ATOM 0 HA VAL A 24 5.082 5.137 6.498 1.00 0.00 H new ATOM 0 HB VAL A 24 2.845 3.912 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.761 2.813 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.040 3.113 7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.888 4.172 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.826 4.361 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.938 5.732 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.714 5.786 8.096 1.00 0.00 H new ATOM 361 N ILE A 25 3.928 6.922 4.941 1.00 0.00 N ATOM 362 CA ILE A 25 3.113 7.548 3.861 1.00 0.00 C ATOM 363 C ILE A 25 2.096 6.515 3.357 1.00 0.00 C ATOM 364 O ILE A 25 0.956 6.830 3.083 1.00 0.00 O ATOM 365 CB ILE A 25 4.038 8.020 2.728 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.197 8.479 1.533 1.00 0.00 C ATOM 367 CG2 ILE A 25 4.985 6.888 2.311 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.116 9.013 0.430 1.00 0.00 C ATOM 0 H ILE A 25 4.932 7.092 4.888 1.00 0.00 H new ATOM 0 HA ILE A 25 2.575 8.418 4.239 1.00 0.00 H new ATOM 0 HB ILE A 25 4.638 8.858 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.602 7.648 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.498 9.255 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.635 7.235 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.592 6.588 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.402 6.035 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.515 9.339 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.691 9.856 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.797 8.224 0.111 1.00 0.00 H new ATOM 380 N TRP A 26 2.501 5.275 3.265 1.00 0.00 N ATOM 381 CA TRP A 26 1.574 4.202 2.821 1.00 0.00 C ATOM 382 C TRP A 26 1.989 2.879 3.465 1.00 0.00 C ATOM 383 O TRP A 26 3.096 2.736 3.946 1.00 0.00 O ATOM 384 CB TRP A 26 1.615 4.067 1.302 1.00 0.00 C ATOM 385 CG TRP A 26 3.028 3.896 0.827 1.00 0.00 C ATOM 386 CD1 TRP A 26 3.785 4.863 0.252 1.00 0.00 C ATOM 387 CD2 TRP A 26 3.855 2.700 0.863 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.028 4.336 -0.058 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.118 3.004 0.296 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.637 1.393 1.330 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.122 2.042 0.196 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.646 0.424 1.231 1.00 0.00 C ATOM 393 CH2 TRP A 26 5.884 0.747 0.665 1.00 0.00 C ATOM 0 H TRP A 26 3.447 4.961 3.482 1.00 0.00 H new ATOM 0 HA TRP A 26 0.559 4.457 3.124 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.015 3.212 0.991 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.175 4.951 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.470 5.879 0.066 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.783 4.866 -0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.685 1.132 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.077 2.296 -0.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.466 -0.577 1.594 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.656 -0.005 0.590 1.00 0.00 H new ATOM 404 N VAL A 27 1.113 1.911 3.480 1.00 0.00 N ATOM 405 CA VAL A 27 1.463 0.597 4.093 1.00 0.00 C ATOM 406 C VAL A 27 1.037 -0.529 3.147 1.00 0.00 C ATOM 407 O VAL A 27 -0.015 -0.474 2.541 1.00 0.00 O ATOM 408 CB VAL A 27 0.737 0.449 5.431 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.227 1.525 6.401 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.770 0.611 5.215 1.00 0.00 C ATOM 0 H VAL A 27 0.171 1.973 3.095 1.00 0.00 H new ATOM 0 HA VAL A 27 2.539 0.544 4.261 1.00 0.00 H new ATOM 0 HB VAL A 27 0.943 -0.537 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.709 1.419 7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.300 1.413 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.022 2.511 5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.288 0.506 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.974 1.597 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.123 -0.155 4.524 1.00 0.00 H new ATOM 420 N THR A 28 1.848 -1.546 3.011 1.00 0.00 N ATOM 421 CA THR A 28 1.488 -2.672 2.098 1.00 0.00 C ATOM 422 C THR A 28 1.622 -4.010 2.831 1.00 0.00 C ATOM 423 O THR A 28 2.550 -4.229 3.583 1.00 0.00 O ATOM 424 CB THR A 28 2.426 -2.667 0.887 1.00 0.00 C ATOM 425 OG1 THR A 28 3.771 -2.745 1.335 1.00 0.00 O ATOM 426 CG2 THR A 28 2.227 -1.380 0.083 1.00 0.00 C ATOM 0 H THR A 28 2.742 -1.646 3.491 1.00 0.00 H new ATOM 0 HA THR A 28 0.456 -2.544 1.770 1.00 0.00 H new ATOM 0 HB THR A 28 2.202 -3.524 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.364 -2.355 0.659 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.896 -1.381 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.194 -1.322 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.448 -0.519 0.714 1.00 0.00 H new ATOM 434 N PHE A 29 0.701 -4.908 2.598 1.00 0.00 N ATOM 435 CA PHE A 29 0.763 -6.242 3.253 1.00 0.00 C ATOM 436 C PHE A 29 0.690 -7.305 2.167 1.00 0.00 C ATOM 437 O PHE A 29 -0.130 -7.233 1.273 1.00 0.00 O ATOM 438 CB PHE A 29 -0.411 -6.421 4.218 1.00 0.00 C ATOM 439 CG PHE A 29 -1.471 -5.384 3.947 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.416 -4.146 4.595 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.514 -5.667 3.058 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.407 -3.188 4.355 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.503 -4.707 2.816 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.450 -3.470 3.465 1.00 0.00 C ATOM 0 H PHE A 29 -0.096 -4.771 1.977 1.00 0.00 H new ATOM 0 HA PHE A 29 1.690 -6.330 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.833 -7.420 4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.062 -6.334 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.609 -3.930 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.556 -6.624 2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.367 -2.232 4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.307 -4.922 2.128 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.215 -2.731 3.279 1.00 0.00 H new ATOM 454 N ARG A 30 1.544 -8.281 2.228 1.00 0.00 N ATOM 455 CA ARG A 30 1.531 -9.341 1.187 1.00 0.00 C ATOM 456 C ARG A 30 0.998 -10.640 1.778 1.00 0.00 C ATOM 457 O ARG A 30 1.185 -10.932 2.943 1.00 0.00 O ATOM 458 CB ARG A 30 2.949 -9.551 0.674 1.00 0.00 C ATOM 459 CG ARG A 30 3.855 -9.965 1.835 1.00 0.00 C ATOM 460 CD ARG A 30 5.276 -10.197 1.320 1.00 0.00 C ATOM 461 NE ARG A 30 6.254 -9.856 2.391 1.00 0.00 N ATOM 462 CZ ARG A 30 7.495 -10.251 2.293 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.878 -10.942 1.254 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.350 -9.952 3.230 1.00 0.00 N ATOM 0 H ARG A 30 2.252 -8.392 2.954 1.00 0.00 H new ATOM 0 HA ARG A 30 0.884 -9.037 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.957 -10.319 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.321 -8.634 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.857 -9.190 2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.474 -10.874 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.399 -11.237 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.459 -9.584 0.437 1.00 0.00 H new ATOM 0 HE ARG A 30 5.954 -9.314 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.208 -11.173 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.847 -11.251 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.050 -9.409 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.319 -10.261 3.153 1.00 0.00 H new ATOM 478 N TYR A 31 0.326 -11.417 0.981 1.00 0.00 N ATOM 479 CA TYR A 31 -0.235 -12.695 1.483 1.00 0.00 C ATOM 480 C TYR A 31 0.830 -13.453 2.266 1.00 0.00 C ATOM 481 O TYR A 31 1.662 -14.135 1.702 1.00 0.00 O ATOM 482 CB TYR A 31 -0.692 -13.540 0.297 1.00 0.00 C ATOM 483 CG TYR A 31 -2.113 -13.182 -0.054 1.00 0.00 C ATOM 484 CD1 TYR A 31 -3.167 -13.636 0.746 1.00 0.00 C ATOM 485 CD2 TYR A 31 -2.377 -12.392 -1.180 1.00 0.00 C ATOM 486 CE1 TYR A 31 -4.485 -13.299 0.422 1.00 0.00 C ATOM 487 CE2 TYR A 31 -3.695 -12.057 -1.503 1.00 0.00 C ATOM 488 CZ TYR A 31 -4.750 -12.511 -0.703 1.00 0.00 C ATOM 489 OH TYR A 31 -6.048 -12.180 -1.022 1.00 0.00 O ATOM 0 H TYR A 31 0.141 -11.220 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.082 -12.489 2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.040 -13.368 -0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.622 -14.600 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.963 -14.246 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.563 -12.042 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.299 -13.647 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.900 -11.447 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.092 -11.234 -1.274 1.00 0.00 H new ATOM 499 N ASP A 32 0.803 -13.357 3.564 1.00 0.00 N ATOM 500 CA ASP A 32 1.806 -14.094 4.372 1.00 0.00 C ATOM 501 C ASP A 32 1.179 -15.410 4.824 1.00 0.00 C ATOM 502 O ASP A 32 0.385 -15.448 5.743 1.00 0.00 O ATOM 503 CB ASP A 32 2.196 -13.262 5.595 1.00 0.00 C ATOM 504 CG ASP A 32 3.671 -12.869 5.495 1.00 0.00 C ATOM 505 OD1 ASP A 32 4.493 -13.760 5.360 1.00 0.00 O ATOM 506 OD2 ASP A 32 3.953 -11.683 5.556 1.00 0.00 O ATOM 0 H ASP A 32 0.133 -12.803 4.097 1.00 0.00 H new ATOM 0 HA ASP A 32 2.700 -14.286 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.574 -12.369 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.022 -13.833 6.507 1.00 0.00 H new ATOM 511 N GLY A 33 1.520 -16.486 4.179 1.00 0.00 N ATOM 512 CA GLY A 33 0.932 -17.798 4.567 1.00 0.00 C ATOM 513 C GLY A 33 -0.585 -17.746 4.374 1.00 0.00 C ATOM 514 O GLY A 33 -1.074 -17.535 3.282 1.00 0.00 O ATOM 0 H GLY A 33 2.179 -16.516 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.361 -18.596 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.171 -18.024 5.606 1.00 0.00 H new ATOM 518 N ALA A 34 -1.333 -17.950 5.425 1.00 0.00 N ATOM 519 CA ALA A 34 -2.820 -17.930 5.300 1.00 0.00 C ATOM 520 C ALA A 34 -3.389 -16.664 5.948 1.00 0.00 C ATOM 521 O ALA A 34 -4.544 -16.612 6.319 1.00 0.00 O ATOM 522 CB ALA A 34 -3.402 -19.160 5.997 1.00 0.00 C ATOM 0 H ALA A 34 -0.979 -18.130 6.365 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.088 -17.939 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.488 -19.149 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.009 -20.063 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.124 -19.146 7.051 1.00 0.00 H new ATOM 528 N THR A 35 -2.588 -15.640 6.085 1.00 0.00 N ATOM 529 CA THR A 35 -3.093 -14.380 6.704 1.00 0.00 C ATOM 530 C THR A 35 -2.425 -13.172 6.041 1.00 0.00 C ATOM 531 O THR A 35 -1.235 -13.163 5.797 1.00 0.00 O ATOM 532 CB THR A 35 -2.771 -14.381 8.201 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.090 -15.651 8.751 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.592 -13.298 8.903 1.00 0.00 C ATOM 0 H THR A 35 -1.610 -15.622 5.796 1.00 0.00 H new ATOM 0 HA THR A 35 -4.172 -14.318 6.562 1.00 0.00 H new ATOM 0 HB THR A 35 -1.710 -14.178 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.883 -15.654 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.362 -13.300 9.968 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.346 -12.324 8.480 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.654 -13.497 8.761 1.00 0.00 H new ATOM 542 N ILE A 36 -3.184 -12.147 5.752 1.00 0.00 N ATOM 543 CA ILE A 36 -2.594 -10.935 5.112 1.00 0.00 C ATOM 544 C ILE A 36 -1.948 -10.066 6.193 1.00 0.00 C ATOM 545 O ILE A 36 -2.618 -9.539 7.059 1.00 0.00 O ATOM 546 CB ILE A 36 -3.700 -10.144 4.405 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.217 -10.951 3.211 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.149 -8.804 3.911 1.00 0.00 C ATOM 549 CD1 ILE A 36 -4.891 -12.231 3.707 1.00 0.00 C ATOM 0 H ILE A 36 -4.187 -12.097 5.932 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.841 -11.230 4.381 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.514 -9.960 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.926 -10.355 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.392 -11.198 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.941 -8.248 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.781 -8.227 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.332 -8.982 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.258 -12.803 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.170 -12.830 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.727 -11.974 4.358 1.00 0.00 H new ATOM 561 N VAL A 37 -0.650 -9.919 6.156 1.00 0.00 N ATOM 562 CA VAL A 37 0.036 -9.091 7.190 1.00 0.00 C ATOM 563 C VAL A 37 1.071 -8.180 6.520 1.00 0.00 C ATOM 564 O VAL A 37 1.612 -8.508 5.482 1.00 0.00 O ATOM 565 CB VAL A 37 0.738 -10.020 8.184 1.00 0.00 C ATOM 566 CG1 VAL A 37 0.002 -11.361 8.235 1.00 0.00 C ATOM 567 CG2 VAL A 37 2.186 -10.252 7.740 1.00 0.00 C ATOM 0 H VAL A 37 -0.036 -10.336 5.456 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.696 -8.475 7.712 1.00 0.00 H new ATOM 0 HB VAL A 37 0.732 -9.561 9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.501 -12.023 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.028 -11.199 8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.008 -11.817 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.683 -10.914 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.194 -10.709 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.713 -9.298 7.703 1.00 0.00 H new ATOM 577 N PRO A 38 1.354 -7.045 7.113 1.00 0.00 N ATOM 578 CA PRO A 38 2.342 -6.077 6.575 1.00 0.00 C ATOM 579 C PRO A 38 3.497 -6.771 5.848 1.00 0.00 C ATOM 580 O PRO A 38 3.914 -7.851 6.214 1.00 0.00 O ATOM 581 CB PRO A 38 2.838 -5.368 7.832 1.00 0.00 C ATOM 582 CG PRO A 38 1.678 -5.388 8.782 1.00 0.00 C ATOM 583 CD PRO A 38 0.763 -6.550 8.366 1.00 0.00 C ATOM 0 HA PRO A 38 1.910 -5.407 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.703 -5.879 8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.148 -4.347 7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.024 -5.520 9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.137 -4.442 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.737 -7.328 9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.263 -6.215 8.217 1.00 0.00 H new ATOM 591 N GLY A 39 4.010 -6.159 4.816 1.00 0.00 N ATOM 592 CA GLY A 39 5.132 -6.783 4.063 1.00 0.00 C ATOM 593 C GLY A 39 6.173 -5.723 3.730 1.00 0.00 C ATOM 594 O GLY A 39 7.361 -5.974 3.728 1.00 0.00 O ATOM 0 H GLY A 39 3.700 -5.254 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.584 -7.578 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.759 -7.241 3.147 1.00 0.00 H new ATOM 598 N ASP A 40 5.726 -4.544 3.439 1.00 0.00 N ATOM 599 CA ASP A 40 6.664 -3.455 3.093 1.00 0.00 C ATOM 600 C ASP A 40 6.152 -2.141 3.674 1.00 0.00 C ATOM 601 O ASP A 40 5.137 -2.094 4.341 1.00 0.00 O ATOM 602 CB ASP A 40 6.759 -3.342 1.579 1.00 0.00 C ATOM 603 CG ASP A 40 7.942 -4.174 1.086 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.017 -4.033 1.649 1.00 0.00 O ATOM 605 OD2 ASP A 40 7.756 -4.939 0.153 1.00 0.00 O ATOM 0 H ASP A 40 4.740 -4.285 3.426 1.00 0.00 H new ATOM 0 HA ASP A 40 7.649 -3.671 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.836 -3.692 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.886 -2.299 1.287 1.00 0.00 H new ATOM 610 N GLN A 41 6.869 -1.080 3.452 1.00 0.00 N ATOM 611 CA GLN A 41 6.443 0.227 4.023 1.00 0.00 C ATOM 612 C GLN A 41 7.036 1.390 3.230 1.00 0.00 C ATOM 613 O GLN A 41 7.769 1.210 2.278 1.00 0.00 O ATOM 614 CB GLN A 41 6.952 0.305 5.457 1.00 0.00 C ATOM 615 CG GLN A 41 8.343 -0.337 5.529 1.00 0.00 C ATOM 616 CD GLN A 41 9.270 0.318 4.495 1.00 0.00 C ATOM 617 OE1 GLN A 41 9.345 -0.174 3.283 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 9.932 1.292 4.794 1.00 0.00 N flip ATOM 0 H GLN A 41 7.728 -1.058 2.903 1.00 0.00 H new ATOM 0 HA GLN A 41 5.356 0.298 3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.000 1.344 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.265 -0.209 6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.758 -0.218 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.270 -1.408 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.876 1.677 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.544 1.725 4.102 1.00 0.00 H new ATOM 627 N GLY A 42 6.729 2.590 3.635 1.00 0.00 N ATOM 628 CA GLY A 42 7.275 3.778 2.927 1.00 0.00 C ATOM 629 C GLY A 42 7.103 5.021 3.796 1.00 0.00 C ATOM 630 O GLY A 42 6.040 5.286 4.324 1.00 0.00 O ATOM 0 H GLY A 42 6.122 2.799 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.330 3.625 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.761 3.914 1.976 1.00 0.00 H new ATOM 634 N ALA A 43 8.140 5.803 3.918 1.00 0.00 N ATOM 635 CA ALA A 43 8.053 7.055 4.717 1.00 0.00 C ATOM 636 C ALA A 43 7.977 8.205 3.721 1.00 0.00 C ATOM 637 O ALA A 43 7.826 9.359 4.068 1.00 0.00 O ATOM 638 CB ALA A 43 9.299 7.204 5.593 1.00 0.00 C ATOM 0 H ALA A 43 9.051 5.626 3.494 1.00 0.00 H new ATOM 0 HA ALA A 43 7.182 7.044 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.227 8.123 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.373 6.352 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.186 7.243 4.961 1.00 0.00 H new ATOM 644 N ASP A 44 8.066 7.859 2.468 1.00 0.00 N ATOM 645 CA ASP A 44 7.987 8.857 1.376 1.00 0.00 C ATOM 646 C ASP A 44 7.594 8.105 0.106 1.00 0.00 C ATOM 647 O ASP A 44 7.484 6.895 0.109 1.00 0.00 O ATOM 648 CB ASP A 44 9.350 9.526 1.185 1.00 0.00 C ATOM 649 CG ASP A 44 9.467 10.727 2.125 1.00 0.00 C ATOM 650 OD1 ASP A 44 8.530 11.507 2.177 1.00 0.00 O ATOM 651 OD2 ASP A 44 10.490 10.845 2.778 1.00 0.00 O ATOM 0 H ASP A 44 8.194 6.898 2.151 1.00 0.00 H new ATOM 0 HA ASP A 44 7.257 9.632 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.149 8.813 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.467 9.848 0.150 1.00 0.00 H new ATOM 656 N TYR A 45 7.384 8.786 -0.978 1.00 0.00 N ATOM 657 CA TYR A 45 7.005 8.067 -2.225 1.00 0.00 C ATOM 658 C TYR A 45 8.221 7.289 -2.740 1.00 0.00 C ATOM 659 O TYR A 45 8.123 6.157 -3.162 1.00 0.00 O ATOM 660 CB TYR A 45 6.572 9.085 -3.286 1.00 0.00 C ATOM 661 CG TYR A 45 5.142 8.832 -3.720 1.00 0.00 C ATOM 662 CD1 TYR A 45 4.725 7.541 -4.074 1.00 0.00 C ATOM 663 CD2 TYR A 45 4.237 9.897 -3.783 1.00 0.00 C ATOM 664 CE1 TYR A 45 3.407 7.318 -4.486 1.00 0.00 C ATOM 665 CE2 TYR A 45 2.918 9.673 -4.196 1.00 0.00 C ATOM 666 CZ TYR A 45 2.503 8.383 -4.548 1.00 0.00 C ATOM 667 OH TYR A 45 1.203 8.164 -4.956 1.00 0.00 O ATOM 0 H TYR A 45 7.456 9.800 -1.059 1.00 0.00 H new ATOM 0 HA TYR A 45 6.183 7.381 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.663 10.095 -2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.235 9.023 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.422 6.718 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.556 10.893 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.087 6.322 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.220 10.496 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 45 0.635 8.013 -4.172 1.00 0.00 H new ATOM 677 N GLN A 46 9.369 7.899 -2.702 1.00 0.00 N ATOM 678 CA GLN A 46 10.609 7.235 -3.193 1.00 0.00 C ATOM 679 C GLN A 46 10.667 5.783 -2.720 1.00 0.00 C ATOM 680 O GLN A 46 11.147 4.911 -3.420 1.00 0.00 O ATOM 681 CB GLN A 46 11.822 7.995 -2.654 1.00 0.00 C ATOM 682 CG GLN A 46 12.094 9.213 -3.537 1.00 0.00 C ATOM 683 CD GLN A 46 10.796 9.996 -3.741 1.00 0.00 C ATOM 684 OE1 GLN A 46 9.926 9.576 -4.619 1.00 0.00 O flip ATOM 685 NE2 GLN A 46 10.571 11.001 -3.096 1.00 0.00 N flip ATOM 0 H GLN A 46 9.505 8.845 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 46 10.610 7.243 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.640 8.311 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.695 7.343 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.847 9.851 -3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.495 8.895 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.251 11.329 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.703 11.516 -3.241 1.00 0.00 H new ATOM 694 N HIS A 47 10.193 5.510 -1.540 1.00 0.00 N ATOM 695 CA HIS A 47 10.238 4.115 -1.037 1.00 0.00 C ATOM 696 C HIS A 47 9.385 3.219 -1.937 1.00 0.00 C ATOM 697 O HIS A 47 9.584 2.022 -1.999 1.00 0.00 O ATOM 698 CB HIS A 47 9.705 4.078 0.395 1.00 0.00 C ATOM 699 CG HIS A 47 10.515 3.105 1.205 1.00 0.00 C ATOM 700 ND1 HIS A 47 11.149 1.934 0.867 1.00 0.00 N flip ATOM 701 CD2 HIS A 47 10.772 3.299 2.555 1.00 0.00 C flip ATOM 702 CE1 HIS A 47 11.785 1.412 1.986 1.00 0.00 C flip ATOM 703 NE2 HIS A 47 11.531 2.268 2.976 1.00 0.00 N flip ATOM 0 H HIS A 47 9.778 6.191 -0.904 1.00 0.00 H new ATOM 0 HA HIS A 47 11.266 3.752 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.758 5.071 0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.655 3.784 0.396 1.00 0.00 H new ATOM 0 HD1 HIS A 47 11.152 1.513 -0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.427 4.126 3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.364 0.502 2.042 1.00 0.00 H new ATOM 712 N PHE A 48 8.446 3.787 -2.647 1.00 0.00 N ATOM 713 CA PHE A 48 7.595 2.961 -3.548 1.00 0.00 C ATOM 714 C PHE A 48 8.458 2.445 -4.702 1.00 0.00 C ATOM 715 O PHE A 48 8.157 1.444 -5.324 1.00 0.00 O ATOM 716 CB PHE A 48 6.449 3.816 -4.100 1.00 0.00 C ATOM 717 CG PHE A 48 6.684 4.137 -5.562 1.00 0.00 C ATOM 718 CD1 PHE A 48 6.486 3.151 -6.537 1.00 0.00 C ATOM 719 CD2 PHE A 48 7.088 5.424 -5.944 1.00 0.00 C ATOM 720 CE1 PHE A 48 6.694 3.453 -7.887 1.00 0.00 C ATOM 721 CE2 PHE A 48 7.292 5.722 -7.292 1.00 0.00 C ATOM 722 CZ PHE A 48 7.098 4.740 -8.263 1.00 0.00 C ATOM 0 H PHE A 48 8.233 4.785 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 48 7.175 2.120 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.504 3.286 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.368 4.740 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.173 2.159 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.242 6.186 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.543 2.693 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.601 6.715 -7.584 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.259 4.972 -9.305 1.00 0.00 H new ATOM 732 N ILE A 49 9.528 3.133 -4.991 1.00 0.00 N ATOM 733 CA ILE A 49 10.427 2.709 -6.105 1.00 0.00 C ATOM 734 C ILE A 49 11.283 1.523 -5.661 1.00 0.00 C ATOM 735 O ILE A 49 11.301 0.489 -6.297 1.00 0.00 O ATOM 736 CB ILE A 49 11.332 3.879 -6.490 1.00 0.00 C ATOM 737 CG1 ILE A 49 10.460 5.098 -6.783 1.00 0.00 C ATOM 738 CG2 ILE A 49 12.141 3.521 -7.740 1.00 0.00 C ATOM 739 CD1 ILE A 49 11.285 6.161 -7.511 1.00 0.00 C ATOM 0 H ILE A 49 9.821 3.978 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 49 9.825 2.410 -6.963 1.00 0.00 H new ATOM 0 HB ILE A 49 12.019 4.096 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.605 4.807 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 49 10.064 5.506 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 49 12.784 4.359 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.755 2.643 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.461 3.306 -8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.659 7.029 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.125 6.461 -6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.659 5.752 -8.449 1.00 0.00 H new ATOM 751 N GLN A 50 11.984 1.655 -4.568 1.00 0.00 N ATOM 752 CA GLN A 50 12.821 0.518 -4.094 1.00 0.00 C ATOM 753 C GLN A 50 11.871 -0.604 -3.714 1.00 0.00 C ATOM 754 O GLN A 50 12.264 -1.685 -3.323 1.00 0.00 O ATOM 755 CB GLN A 50 13.633 0.954 -2.869 1.00 0.00 C ATOM 756 CG GLN A 50 14.364 -0.254 -2.277 1.00 0.00 C ATOM 757 CD GLN A 50 13.485 -0.935 -1.223 1.00 0.00 C ATOM 758 OE1 GLN A 50 12.751 -0.208 -0.423 1.00 0.00 O flip ATOM 759 NE2 GLN A 50 13.464 -2.146 -1.126 1.00 0.00 N flip ATOM 0 H GLN A 50 12.013 2.493 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 50 13.517 0.191 -4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.352 1.723 -3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.973 1.394 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 50 14.612 -0.962 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.304 0.064 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.035 -2.717 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.875 -2.591 -0.422 1.00 0.00 H new ATOM 768 N GLN A 51 10.609 -0.320 -3.820 1.00 0.00 N ATOM 769 CA GLN A 51 9.570 -1.309 -3.463 1.00 0.00 C ATOM 770 C GLN A 51 8.919 -1.869 -4.730 1.00 0.00 C ATOM 771 O GLN A 51 8.593 -3.036 -4.808 1.00 0.00 O ATOM 772 CB GLN A 51 8.531 -0.579 -2.628 1.00 0.00 C ATOM 773 CG GLN A 51 9.045 -0.452 -1.205 1.00 0.00 C ATOM 774 CD GLN A 51 8.835 -1.790 -0.513 1.00 0.00 C ATOM 775 OE1 GLN A 51 8.390 -2.794 -1.221 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 9.075 -1.928 0.670 1.00 0.00 N flip ATOM 0 H GLN A 51 10.249 0.577 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 51 10.002 -2.143 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.336 0.408 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.587 -1.123 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.101 -0.183 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.513 0.339 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.422 -1.139 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.929 -2.833 1.118 1.00 0.00 H new ATOM 785 N CYS A 52 8.725 -1.044 -5.721 1.00 0.00 N ATOM 786 CA CYS A 52 8.092 -1.531 -6.978 1.00 0.00 C ATOM 787 C CYS A 52 8.791 -2.809 -7.444 1.00 0.00 C ATOM 788 O CYS A 52 10.002 -2.877 -7.510 1.00 0.00 O ATOM 789 CB CYS A 52 8.218 -0.457 -8.060 1.00 0.00 C ATOM 790 SG CYS A 52 6.628 -0.262 -8.905 1.00 0.00 S ATOM 0 H CYS A 52 8.977 -0.056 -5.715 1.00 0.00 H new ATOM 0 HA CYS A 52 7.039 -1.742 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.523 0.490 -7.614 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.991 -0.736 -8.776 1.00 0.00 H new ATOM 0 HG CYS A 52 6.721 -0.722 -10.117 1.00 0.00 H new ATOM 796 N THR A 53 8.034 -3.816 -7.784 1.00 0.00 N ATOM 797 CA THR A 53 8.657 -5.084 -8.263 1.00 0.00 C ATOM 798 C THR A 53 7.645 -5.915 -9.050 1.00 0.00 C ATOM 799 O THR A 53 6.653 -6.380 -8.523 1.00 0.00 O ATOM 800 CB THR A 53 9.153 -5.911 -7.080 1.00 0.00 C ATOM 801 OG1 THR A 53 8.126 -5.998 -6.102 1.00 0.00 O ATOM 802 CG2 THR A 53 10.395 -5.262 -6.464 1.00 0.00 C ATOM 0 H THR A 53 7.015 -3.817 -7.751 1.00 0.00 H new ATOM 0 HA THR A 53 9.496 -4.822 -8.908 1.00 0.00 H new ATOM 0 HB THR A 53 9.414 -6.910 -7.429 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.079 -5.157 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.739 -5.862 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.184 -5.203 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.147 -4.258 -6.118 1.00 0.00 H new ATOM 810 N ASP A 54 7.898 -6.102 -10.311 1.00 0.00 N ATOM 811 CA ASP A 54 6.970 -6.900 -11.162 1.00 0.00 C ATOM 812 C ASP A 54 6.985 -8.361 -10.707 1.00 0.00 C ATOM 813 O ASP A 54 6.467 -9.233 -11.375 1.00 0.00 O ATOM 814 CB ASP A 54 7.419 -6.818 -12.623 1.00 0.00 C ATOM 815 CG ASP A 54 6.935 -5.502 -13.234 1.00 0.00 C ATOM 816 OD1 ASP A 54 5.811 -5.120 -12.953 1.00 0.00 O ATOM 817 OD2 ASP A 54 7.697 -4.898 -13.971 1.00 0.00 O ATOM 0 H ASP A 54 8.716 -5.733 -10.796 1.00 0.00 H new ATOM 0 HA ASP A 54 5.960 -6.501 -11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.505 -6.882 -12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.018 -7.661 -13.185 1.00 0.00 H new ATOM 822 N ASP A 55 7.576 -8.630 -9.573 1.00 0.00 N ATOM 823 CA ASP A 55 7.627 -10.030 -9.065 1.00 0.00 C ATOM 824 C ASP A 55 6.989 -10.088 -7.676 1.00 0.00 C ATOM 825 O ASP A 55 7.174 -11.035 -6.938 1.00 0.00 O ATOM 826 CB ASP A 55 9.085 -10.486 -8.975 1.00 0.00 C ATOM 827 CG ASP A 55 9.283 -11.735 -9.835 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.408 -11.588 -11.040 1.00 0.00 O ATOM 829 OD2 ASP A 55 9.307 -12.818 -9.275 1.00 0.00 O ATOM 0 H ASP A 55 8.027 -7.937 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 55 7.083 -10.685 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.748 -9.690 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.347 -10.700 -7.939 1.00 0.00 H new ATOM 834 N VAL A 56 6.239 -9.081 -7.316 1.00 0.00 N ATOM 835 CA VAL A 56 5.589 -9.078 -5.975 1.00 0.00 C ATOM 836 C VAL A 56 4.135 -8.620 -6.111 1.00 0.00 C ATOM 837 O VAL A 56 3.782 -7.908 -7.029 1.00 0.00 O ATOM 838 CB VAL A 56 6.350 -8.131 -5.041 1.00 0.00 C ATOM 839 CG1 VAL A 56 5.689 -6.751 -5.046 1.00 0.00 C ATOM 840 CG2 VAL A 56 6.330 -8.698 -3.620 1.00 0.00 C ATOM 0 H VAL A 56 6.049 -8.261 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 56 5.608 -10.085 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 56 7.379 -8.036 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.235 -6.083 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.702 -6.345 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.658 -6.840 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.871 -8.027 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.299 -8.794 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.807 -9.678 -3.613 1.00 0.00 H new ATOM 850 N ARG A 57 3.289 -9.027 -5.202 1.00 0.00 N ATOM 851 CA ARG A 57 1.856 -8.619 -5.275 1.00 0.00 C ATOM 852 C ARG A 57 1.401 -8.103 -3.908 1.00 0.00 C ATOM 853 O ARG A 57 1.638 -8.723 -2.890 1.00 0.00 O ATOM 854 CB ARG A 57 0.994 -9.815 -5.696 1.00 0.00 C ATOM 855 CG ARG A 57 1.352 -11.050 -4.860 1.00 0.00 C ATOM 856 CD ARG A 57 2.710 -11.616 -5.292 1.00 0.00 C ATOM 857 NE ARG A 57 3.705 -11.404 -4.204 1.00 0.00 N ATOM 858 CZ ARG A 57 4.826 -12.072 -4.207 1.00 0.00 C ATOM 859 NH1 ARG A 57 5.075 -12.926 -5.162 1.00 0.00 N ATOM 860 NH2 ARG A 57 5.699 -11.887 -3.253 1.00 0.00 N ATOM 0 H ARG A 57 3.529 -9.625 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 57 1.744 -7.826 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.061 -9.574 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.146 -10.027 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.382 -10.785 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.581 -11.811 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.619 -12.679 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.046 -11.127 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 57 3.510 -10.737 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.393 -13.072 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.951 -13.448 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.504 -11.220 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.575 -12.409 -3.255 1.00 0.00 H new ATOM 874 N LEU A 58 0.755 -6.967 -3.869 1.00 0.00 N ATOM 875 CA LEU A 58 0.300 -6.425 -2.558 1.00 0.00 C ATOM 876 C LEU A 58 -0.583 -5.192 -2.770 1.00 0.00 C ATOM 877 O LEU A 58 -0.715 -4.687 -3.866 1.00 0.00 O ATOM 878 CB LEU A 58 1.529 -6.046 -1.722 1.00 0.00 C ATOM 879 CG LEU A 58 2.404 -5.041 -2.485 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.741 -3.660 -2.512 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.764 -4.931 -1.791 1.00 0.00 C ATOM 0 H LEU A 58 0.525 -6.396 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.284 -7.183 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.212 -5.615 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.108 -6.939 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 58 2.529 -5.391 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.376 -2.962 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.772 -3.731 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.602 -3.303 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.390 -4.219 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.623 -4.589 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.249 -5.907 -1.784 1.00 0.00 H new ATOM 893 N PHE A 59 -1.182 -4.697 -1.718 1.00 0.00 N ATOM 894 CA PHE A 59 -2.046 -3.489 -1.842 1.00 0.00 C ATOM 895 C PHE A 59 -1.301 -2.294 -1.245 1.00 0.00 C ATOM 896 O PHE A 59 -0.460 -2.455 -0.385 1.00 0.00 O ATOM 897 CB PHE A 59 -3.354 -3.706 -1.076 1.00 0.00 C ATOM 898 CG PHE A 59 -3.859 -5.109 -1.317 1.00 0.00 C ATOM 899 CD1 PHE A 59 -3.226 -6.196 -0.703 1.00 0.00 C ATOM 900 CD2 PHE A 59 -4.963 -5.321 -2.153 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.698 -7.497 -0.924 1.00 0.00 C ATOM 902 CE2 PHE A 59 -5.434 -6.621 -2.373 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.802 -7.708 -1.759 1.00 0.00 C ATOM 0 H PHE A 59 -1.109 -5.080 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.275 -3.305 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.193 -3.545 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.100 -2.980 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.374 -6.032 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.450 -4.482 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.210 -8.336 -0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.285 -6.785 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.166 -8.710 -1.929 1.00 0.00 H new ATOM 913 N ALA A 60 -1.598 -1.097 -1.682 1.00 0.00 N ATOM 914 CA ALA A 60 -0.891 0.092 -1.123 1.00 0.00 C ATOM 915 C ALA A 60 -1.905 1.205 -0.839 1.00 0.00 C ATOM 916 O ALA A 60 -2.972 1.247 -1.416 1.00 0.00 O ATOM 917 CB ALA A 60 0.143 0.593 -2.133 1.00 0.00 C ATOM 0 H ALA A 60 -2.296 -0.893 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.390 -0.188 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.659 1.462 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.866 -0.197 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.359 0.872 -3.060 1.00 0.00 H new ATOM 923 N PHE A 61 -1.576 2.105 0.046 1.00 0.00 N ATOM 924 CA PHE A 61 -2.517 3.214 0.373 1.00 0.00 C ATOM 925 C PHE A 61 -1.715 4.462 0.741 1.00 0.00 C ATOM 926 O PHE A 61 -1.280 4.613 1.861 1.00 0.00 O ATOM 927 CB PHE A 61 -3.382 2.801 1.565 1.00 0.00 C ATOM 928 CG PHE A 61 -4.139 3.992 2.096 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.351 4.364 1.508 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.634 4.717 3.182 1.00 0.00 C ATOM 931 CE1 PHE A 61 -6.060 5.461 2.005 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.344 5.817 3.677 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.556 6.189 3.089 1.00 0.00 C ATOM 0 H PHE A 61 -0.694 2.121 0.558 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.152 3.426 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.081 2.021 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.755 2.380 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.739 3.804 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.698 4.428 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.998 5.747 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.955 6.378 4.514 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.104 7.038 3.471 1.00 0.00 H new ATOM 943 N VAL A 62 -1.525 5.359 -0.187 1.00 0.00 N ATOM 944 CA VAL A 62 -0.754 6.603 0.122 1.00 0.00 C ATOM 945 C VAL A 62 -1.678 7.809 -0.014 1.00 0.00 C ATOM 946 O VAL A 62 -2.615 7.803 -0.788 1.00 0.00 O ATOM 947 CB VAL A 62 0.436 6.735 -0.847 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.283 5.728 -1.984 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.506 8.147 -1.422 1.00 0.00 C ATOM 0 H VAL A 62 -1.868 5.287 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.370 6.554 1.141 1.00 0.00 H new ATOM 0 HB VAL A 62 1.357 6.535 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.125 5.822 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.259 4.718 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.645 5.924 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.353 8.221 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.415 8.366 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.630 8.864 -0.611 1.00 0.00 H new ATOM 959 N ARG A 63 -1.419 8.848 0.725 1.00 0.00 N ATOM 960 CA ARG A 63 -2.280 10.060 0.631 1.00 0.00 C ATOM 961 C ARG A 63 -1.858 10.876 -0.593 1.00 0.00 C ATOM 962 O ARG A 63 -0.806 11.483 -0.615 1.00 0.00 O ATOM 963 CB ARG A 63 -2.108 10.906 1.894 1.00 0.00 C ATOM 964 CG ARG A 63 -2.968 12.168 1.789 1.00 0.00 C ATOM 965 CD ARG A 63 -2.812 13.000 3.063 1.00 0.00 C ATOM 966 NE ARG A 63 -2.014 14.222 2.762 1.00 0.00 N ATOM 967 CZ ARG A 63 -2.005 15.218 3.605 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.695 15.144 4.710 1.00 0.00 N ATOM 969 NH2 ARG A 63 -1.305 16.288 3.344 1.00 0.00 N ATOM 0 H ARG A 63 -0.649 8.912 1.391 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.325 9.765 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.397 10.329 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.060 11.178 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.668 12.754 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.014 11.897 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.792 13.279 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.319 12.412 3.837 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.475 14.280 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.242 14.308 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.688 15.923 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.765 16.346 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.298 17.066 4.003 1.00 0.00 H new ATOM 983 N PHE A 64 -2.670 10.889 -1.614 1.00 0.00 N ATOM 984 CA PHE A 64 -2.315 11.657 -2.841 1.00 0.00 C ATOM 985 C PHE A 64 -2.777 13.108 -2.696 1.00 0.00 C ATOM 986 O PHE A 64 -3.692 13.409 -1.955 1.00 0.00 O ATOM 987 CB PHE A 64 -3.005 11.030 -4.053 1.00 0.00 C ATOM 988 CG PHE A 64 -2.818 9.531 -4.029 1.00 0.00 C ATOM 989 CD1 PHE A 64 -3.669 8.733 -3.257 1.00 0.00 C ATOM 990 CD2 PHE A 64 -1.794 8.942 -4.780 1.00 0.00 C ATOM 991 CE1 PHE A 64 -3.499 7.343 -3.237 1.00 0.00 C ATOM 992 CE2 PHE A 64 -1.623 7.552 -4.761 1.00 0.00 C ATOM 993 CZ PHE A 64 -2.475 6.753 -3.989 1.00 0.00 C ATOM 0 H PHE A 64 -3.565 10.401 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.234 11.632 -2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.067 11.273 -4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.591 11.443 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.457 9.189 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.136 9.559 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.157 6.727 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.834 7.097 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.343 5.681 -3.973 1.00 0.00 H new ATOM 1003 N THR A 65 -2.156 14.009 -3.407 1.00 0.00 N ATOM 1004 CA THR A 65 -2.567 15.438 -3.320 1.00 0.00 C ATOM 1005 C THR A 65 -3.843 15.636 -4.140 1.00 0.00 C ATOM 1006 O THR A 65 -4.175 14.832 -4.990 1.00 0.00 O ATOM 1007 CB THR A 65 -1.454 16.327 -3.880 1.00 0.00 C ATOM 1008 OG1 THR A 65 -0.413 15.510 -4.397 1.00 0.00 O ATOM 1009 CG2 THR A 65 -0.901 17.218 -2.767 1.00 0.00 C ATOM 0 H THR A 65 -1.383 13.817 -4.044 1.00 0.00 H new ATOM 0 HA THR A 65 -2.750 15.708 -2.280 1.00 0.00 H new ATOM 0 HB THR A 65 -1.855 16.953 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.300 16.078 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.109 17.850 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.700 17.845 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.499 16.595 -1.968 1.00 0.00 H new ATOM 1017 N THR A 66 -4.561 16.698 -3.891 1.00 0.00 N ATOM 1018 CA THR A 66 -5.818 16.950 -4.653 1.00 0.00 C ATOM 1019 C THR A 66 -5.615 18.141 -5.592 1.00 0.00 C ATOM 1020 O THR A 66 -6.463 19.004 -5.705 1.00 0.00 O ATOM 1021 CB THR A 66 -6.954 17.260 -3.675 1.00 0.00 C ATOM 1022 OG1 THR A 66 -8.141 17.539 -4.404 1.00 0.00 O ATOM 1023 CG2 THR A 66 -6.579 18.474 -2.824 1.00 0.00 C ATOM 0 H THR A 66 -4.331 17.403 -3.191 1.00 0.00 H new ATOM 0 HA THR A 66 -6.072 16.066 -5.237 1.00 0.00 H new ATOM 0 HB THR A 66 -7.120 16.401 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.958 18.228 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.388 18.694 -2.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.668 18.259 -2.265 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.413 19.335 -3.472 1.00 0.00 H new ATOM 1031 N GLY A 67 -4.500 18.194 -6.267 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.245 19.329 -7.198 1.00 0.00 C ATOM 1033 C GLY A 67 -3.666 20.511 -6.417 1.00 0.00 C ATOM 1034 O GLY A 67 -2.511 20.858 -6.565 1.00 0.00 O ATOM 0 H GLY A 67 -3.754 17.500 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.551 19.022 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.171 19.624 -7.691 1.00 0.00 H new ATOM 1038 N ASP A 68 -4.459 21.132 -5.588 1.00 0.00 N ATOM 1039 CA ASP A 68 -3.954 22.290 -4.798 1.00 0.00 C ATOM 1040 C ASP A 68 -4.463 22.187 -3.359 1.00 0.00 C ATOM 1041 O ASP A 68 -5.429 22.822 -2.984 1.00 0.00 O ATOM 1042 CB ASP A 68 -4.458 23.592 -5.426 1.00 0.00 C ATOM 1043 CG ASP A 68 -5.805 23.343 -6.107 1.00 0.00 C ATOM 1044 OD1 ASP A 68 -6.699 22.844 -5.443 1.00 0.00 O ATOM 1045 OD2 ASP A 68 -5.919 23.657 -7.280 1.00 0.00 O ATOM 0 H ASP A 68 -5.435 20.887 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.864 22.283 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.562 24.361 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.734 23.962 -6.152 1.00 0.00 H new ATOM 1050 N ALA A 69 -3.820 21.392 -2.549 1.00 0.00 N ATOM 1051 CA ALA A 69 -4.267 21.249 -1.135 1.00 0.00 C ATOM 1052 C ALA A 69 -4.497 22.635 -0.530 1.00 0.00 C ATOM 1053 O ALA A 69 -3.977 23.625 -1.008 1.00 0.00 O ATOM 1054 CB ALA A 69 -3.193 20.512 -0.332 1.00 0.00 C ATOM 0 H ALA A 69 -3.005 20.835 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.197 20.681 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.520 20.407 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.030 19.524 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.263 21.079 -0.363 1.00 0.00 H new ATOM 1060 N MET A 70 -5.269 22.715 0.519 1.00 0.00 N ATOM 1061 CA MET A 70 -5.530 24.037 1.154 1.00 0.00 C ATOM 1062 C MET A 70 -5.482 23.889 2.676 1.00 0.00 C ATOM 1063 O MET A 70 -5.697 24.835 3.408 1.00 0.00 O ATOM 1064 CB MET A 70 -6.913 24.541 0.734 1.00 0.00 C ATOM 1065 CG MET A 70 -7.088 25.990 1.190 1.00 0.00 C ATOM 1066 SD MET A 70 -7.351 27.050 -0.254 1.00 0.00 S ATOM 1067 CE MET A 70 -8.016 28.480 0.634 1.00 0.00 C ATOM 0 H MET A 70 -5.730 21.921 0.964 1.00 0.00 H new ATOM 0 HA MET A 70 -4.771 24.750 0.834 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.023 24.473 -0.348 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.689 23.914 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.935 26.068 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.206 26.318 1.740 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.253 29.272 -0.077 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.921 28.189 1.167 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.275 28.842 1.347 1.00 0.00 H new ATOM 1077 N SER A 71 -5.200 22.709 3.157 1.00 0.00 N ATOM 1078 CA SER A 71 -5.139 22.501 4.631 1.00 0.00 C ATOM 1079 C SER A 71 -5.216 21.005 4.938 1.00 0.00 C ATOM 1080 O SER A 71 -4.301 20.256 4.657 1.00 0.00 O ATOM 1081 CB SER A 71 -6.313 23.220 5.297 1.00 0.00 C ATOM 1082 OG SER A 71 -6.000 24.599 5.436 1.00 0.00 O ATOM 0 H SER A 71 -5.009 21.881 2.593 1.00 0.00 H new ATOM 0 HA SER A 71 -4.202 22.903 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.216 23.099 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.517 22.781 6.274 1.00 0.00 H new ATOM 0 HG SER A 71 -5.957 25.016 4.550 1.00 0.00 H new ATOM 1088 N LYS A 72 -6.302 20.562 5.510 1.00 0.00 N ATOM 1089 CA LYS A 72 -6.439 19.113 5.834 1.00 0.00 C ATOM 1090 C LYS A 72 -7.359 18.447 4.810 1.00 0.00 C ATOM 1091 O LYS A 72 -8.530 18.234 5.061 1.00 0.00 O ATOM 1092 CB LYS A 72 -7.035 18.958 7.234 1.00 0.00 C ATOM 1093 CG LYS A 72 -6.963 17.491 7.661 1.00 0.00 C ATOM 1094 CD LYS A 72 -7.567 17.335 9.058 1.00 0.00 C ATOM 1095 CE LYS A 72 -7.463 15.874 9.499 1.00 0.00 C ATOM 1096 NZ LYS A 72 -6.882 15.809 10.870 1.00 0.00 N ATOM 0 H LYS A 72 -7.101 21.141 5.767 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.458 18.639 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.490 19.581 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.070 19.299 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.502 16.867 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.927 17.152 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.044 17.978 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.610 17.651 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.449 15.409 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.839 15.316 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.144 15.077 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.466 16.730 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.630 15.574 11.553 1.00 0.00 H new ATOM 1110 N ARG A 73 -6.842 18.118 3.659 1.00 0.00 N ATOM 1111 CA ARG A 73 -7.691 17.466 2.621 1.00 0.00 C ATOM 1112 C ARG A 73 -6.899 16.346 1.944 1.00 0.00 C ATOM 1113 O ARG A 73 -6.905 15.214 2.385 1.00 0.00 O ATOM 1114 CB ARG A 73 -8.104 18.504 1.575 1.00 0.00 C ATOM 1115 CG ARG A 73 -9.520 18.996 1.877 1.00 0.00 C ATOM 1116 CD ARG A 73 -9.917 20.067 0.859 1.00 0.00 C ATOM 1117 NE ARG A 73 -9.816 19.504 -0.517 1.00 0.00 N ATOM 1118 CZ ARG A 73 -10.383 20.123 -1.518 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -11.037 21.233 -1.312 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -10.295 19.631 -2.723 1.00 0.00 N ATOM 0 H ARG A 73 -5.870 18.272 3.392 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.582 17.048 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.407 19.342 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.064 18.066 0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.222 18.163 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.567 19.404 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.935 20.407 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.267 20.936 0.957 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.305 18.636 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.105 21.617 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.480 21.717 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.784 18.763 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.738 20.114 -3.505 1.00 0.00 H new ATOM 1134 N SER A 74 -6.217 16.651 0.875 1.00 0.00 N ATOM 1135 CA SER A 74 -5.427 15.603 0.171 1.00 0.00 C ATOM 1136 C SER A 74 -6.357 14.465 -0.256 1.00 0.00 C ATOM 1137 O SER A 74 -7.491 14.385 0.175 1.00 0.00 O ATOM 1138 CB SER A 74 -4.352 15.058 1.111 1.00 0.00 C ATOM 1139 OG SER A 74 -3.116 14.977 0.413 1.00 0.00 O ATOM 0 H SER A 74 -6.173 17.581 0.459 1.00 0.00 H new ATOM 0 HA SER A 74 -4.953 16.035 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.250 15.707 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.640 14.074 1.480 1.00 0.00 H new ATOM 0 HG SER A 74 -3.237 14.454 -0.407 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.889 13.590 -1.105 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.752 12.465 -1.565 1.00 0.00 C ATOM 1147 C LYS A 75 -6.326 11.168 -0.875 1.00 0.00 C ATOM 1148 O LYS A 75 -5.197 11.016 -0.452 1.00 0.00 O ATOM 1149 CB LYS A 75 -6.615 12.306 -3.080 1.00 0.00 C ATOM 1150 CG LYS A 75 -7.779 13.016 -3.776 1.00 0.00 C ATOM 1151 CD LYS A 75 -8.996 12.091 -3.811 1.00 0.00 C ATOM 1152 CE LYS A 75 -10.112 12.745 -4.626 1.00 0.00 C ATOM 1153 NZ LYS A 75 -10.165 12.129 -5.982 1.00 0.00 N ATOM 0 H LYS A 75 -4.948 13.606 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.790 12.681 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.667 12.725 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.609 11.249 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.025 13.937 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.493 13.297 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.724 11.132 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.342 11.890 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.069 12.618 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.935 13.817 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.032 12.435 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.335 12.428 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.166 11.093 -5.893 1.00 0.00 H new ATOM 1167 N PHE A 76 -7.229 10.232 -0.757 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.894 8.940 -0.092 1.00 0.00 C ATOM 1169 C PHE A 76 -7.412 7.781 -0.954 1.00 0.00 C ATOM 1170 O PHE A 76 -8.593 7.676 -1.221 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.559 8.908 1.285 1.00 0.00 C ATOM 1172 CG PHE A 76 -7.102 10.095 2.096 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -5.916 10.023 2.838 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -7.867 11.268 2.112 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -5.495 11.124 3.593 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -7.446 12.369 2.867 1.00 0.00 C ATOM 1177 CZ PHE A 76 -6.260 12.297 3.608 1.00 0.00 C ATOM 0 H PHE A 76 -8.189 10.307 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.815 8.842 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.643 8.925 1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.305 7.982 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.327 9.118 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.782 11.323 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.580 11.069 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.036 13.274 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.935 13.146 4.191 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.535 6.930 -1.420 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.983 5.807 -2.294 1.00 0.00 C ATOM 1189 C ALA A 77 -6.159 4.544 -2.031 1.00 0.00 C ATOM 1190 O ALA A 77 -5.123 4.576 -1.397 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.815 6.217 -3.758 1.00 0.00 C ATOM 0 H ALA A 77 -5.533 6.964 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.029 5.591 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.140 5.401 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.418 7.102 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.766 6.440 -3.955 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.618 3.432 -2.540 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.888 2.143 -2.362 1.00 0.00 C ATOM 1199 C LEU A 78 -5.348 1.714 -3.730 1.00 0.00 C ATOM 1200 O LEU A 78 -5.924 2.036 -4.750 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.875 1.087 -1.838 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.159 -0.248 -1.578 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -5.542 -0.251 -0.178 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.169 -1.391 -1.682 1.00 0.00 C ATOM 0 H LEU A 78 -7.481 3.361 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.067 2.252 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.339 1.441 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.676 0.940 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.369 -0.378 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.037 -1.202 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.821 0.563 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.327 -0.116 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.665 -2.340 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.957 -1.249 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.607 -1.400 -2.680 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.261 0.987 -3.771 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.710 0.541 -5.082 1.00 0.00 C ATOM 1218 C ILE A 79 -3.440 -0.963 -5.016 1.00 0.00 C ATOM 1219 O ILE A 79 -2.806 -1.446 -4.100 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.409 1.295 -5.368 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.748 2.683 -5.916 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.574 0.527 -6.399 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.475 3.525 -6.013 1.00 0.00 C ATOM 0 H ILE A 79 -3.733 0.684 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.422 0.749 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.834 1.389 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.212 2.593 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.472 3.174 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.650 1.071 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.336 -0.463 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.141 0.427 -7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.721 4.512 -6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.030 3.627 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.766 3.037 -6.681 1.00 0.00 H new ATOM 1235 N THR A 80 -3.915 -1.708 -5.975 1.00 0.00 N ATOM 1236 CA THR A 80 -3.681 -3.179 -5.957 1.00 0.00 C ATOM 1237 C THR A 80 -2.463 -3.515 -6.820 1.00 0.00 C ATOM 1238 O THR A 80 -2.470 -3.320 -8.019 1.00 0.00 O ATOM 1239 CB THR A 80 -4.913 -3.898 -6.512 1.00 0.00 C ATOM 1240 OG1 THR A 80 -6.087 -3.313 -5.966 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.856 -5.379 -6.132 1.00 0.00 C ATOM 0 H THR A 80 -4.454 -1.363 -6.769 1.00 0.00 H new ATOM 0 HA THR A 80 -3.500 -3.504 -4.933 1.00 0.00 H new ATOM 0 HB THR A 80 -4.930 -3.804 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.877 -3.771 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.734 -5.890 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.955 -5.828 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.838 -5.476 -5.046 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.414 -4.014 -6.224 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.203 -4.352 -7.022 1.00 0.00 C ATOM 1251 C TRP A 81 -0.261 -5.819 -7.448 1.00 0.00 C ATOM 1252 O TRP A 81 -0.144 -6.714 -6.636 1.00 0.00 O ATOM 1253 CB TRP A 81 1.053 -4.130 -6.175 1.00 0.00 C ATOM 1254 CG TRP A 81 2.267 -4.421 -6.998 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.175 -5.381 -6.712 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.725 -3.779 -8.226 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.155 -5.377 -7.686 1.00 0.00 N ATOM 1258 CE2 TRP A 81 3.923 -4.408 -8.640 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.224 -2.725 -9.015 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.599 -4.010 -9.793 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 2.905 -2.322 -10.178 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.089 -2.963 -10.564 1.00 0.00 C ATOM 0 H TRP A 81 -1.344 -4.201 -5.224 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.169 -3.712 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.084 -3.102 -5.813 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.032 -4.776 -5.298 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.140 -6.044 -5.860 1.00 0.00 H new ATOM 0 HE1 TRP A 81 4.952 -6.013 -7.698 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.312 -2.224 -8.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.511 -4.508 -10.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.513 -1.513 -10.777 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.607 -2.648 -11.457 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.433 -6.073 -8.717 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.487 -7.483 -9.193 1.00 0.00 C ATOM 1275 C ILE A 82 0.840 -7.828 -9.873 1.00 0.00 C ATOM 1276 O ILE A 82 1.024 -7.592 -11.050 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.632 -7.641 -10.196 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.914 -7.053 -9.600 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.845 -9.124 -10.498 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.143 -7.638 -8.205 1.00 0.00 C ATOM 0 H ILE A 82 -0.538 -5.365 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.655 -8.152 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.383 -7.115 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.836 -5.967 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.764 -7.278 -10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.661 -9.236 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.932 -9.544 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.094 -9.651 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.056 -7.220 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.239 -8.721 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.297 -7.390 -7.563 1.00 0.00 H new ATOM 1292 N GLY A 83 1.768 -8.382 -9.140 1.00 0.00 N ATOM 1293 CA GLY A 83 3.081 -8.736 -9.748 1.00 0.00 C ATOM 1294 C GLY A 83 2.881 -9.817 -10.810 1.00 0.00 C ATOM 1295 O GLY A 83 2.134 -10.756 -10.620 1.00 0.00 O ATOM 0 H GLY A 83 1.673 -8.604 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.536 -7.852 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.766 -9.091 -8.978 1.00 0.00 H new ATOM 1299 N GLU A 84 3.539 -9.691 -11.928 1.00 0.00 N ATOM 1300 CA GLU A 84 3.383 -10.712 -13.003 1.00 0.00 C ATOM 1301 C GLU A 84 4.236 -11.939 -12.675 1.00 0.00 C ATOM 1302 O GLU A 84 5.037 -12.381 -13.475 1.00 0.00 O ATOM 1303 CB GLU A 84 3.835 -10.119 -14.339 1.00 0.00 C ATOM 1304 CG GLU A 84 3.103 -10.822 -15.484 1.00 0.00 C ATOM 1305 CD GLU A 84 1.845 -10.030 -15.847 1.00 0.00 C ATOM 1306 OE1 GLU A 84 1.953 -9.122 -16.655 1.00 0.00 O ATOM 1307 OE2 GLU A 84 0.796 -10.346 -15.312 1.00 0.00 O ATOM 0 H GLU A 84 4.178 -8.926 -12.145 1.00 0.00 H new ATOM 0 HA GLU A 84 2.336 -11.008 -13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.627 -9.049 -14.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.912 -10.237 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.757 -10.904 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.835 -11.837 -15.190 1.00 0.00 H new ATOM 1314 N ASP A 85 4.075 -12.493 -11.503 1.00 0.00 N ATOM 1315 CA ASP A 85 4.881 -13.690 -11.130 1.00 0.00 C ATOM 1316 C ASP A 85 4.013 -14.675 -10.341 1.00 0.00 C ATOM 1317 O ASP A 85 4.208 -15.872 -10.402 1.00 0.00 O ATOM 1318 CB ASP A 85 6.069 -13.256 -10.269 1.00 0.00 C ATOM 1319 CG ASP A 85 6.815 -14.493 -9.766 1.00 0.00 C ATOM 1320 OD1 ASP A 85 6.334 -15.111 -8.831 1.00 0.00 O ATOM 1321 OD2 ASP A 85 7.854 -14.802 -10.326 1.00 0.00 O ATOM 0 H ASP A 85 3.422 -12.169 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 85 5.243 -14.176 -12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.741 -12.624 -10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.721 -12.660 -9.425 1.00 0.00 H new ATOM 1326 N VAL A 86 3.058 -14.183 -9.601 1.00 0.00 N ATOM 1327 CA VAL A 86 2.184 -15.096 -8.812 1.00 0.00 C ATOM 1328 C VAL A 86 1.370 -15.976 -9.762 1.00 0.00 C ATOM 1329 O VAL A 86 1.149 -15.633 -10.907 1.00 0.00 O ATOM 1330 CB VAL A 86 1.232 -14.273 -7.944 1.00 0.00 C ATOM 1331 CG1 VAL A 86 1.258 -14.802 -6.508 1.00 0.00 C ATOM 1332 CG2 VAL A 86 1.674 -12.808 -7.955 1.00 0.00 C ATOM 0 H VAL A 86 2.845 -13.190 -9.509 1.00 0.00 H new ATOM 0 HA VAL A 86 2.805 -15.725 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 86 0.220 -14.353 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.579 -14.214 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.944 -15.846 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.270 -14.724 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.997 -12.219 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.687 -12.730 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.654 -12.430 -8.977 1.00 0.00 H new ATOM 1342 N SER A 87 0.922 -17.108 -9.294 1.00 0.00 N ATOM 1343 CA SER A 87 0.121 -18.011 -10.165 1.00 0.00 C ATOM 1344 C SER A 87 -1.371 -17.768 -9.922 1.00 0.00 C ATOM 1345 O SER A 87 -1.846 -16.651 -9.980 1.00 0.00 O ATOM 1346 CB SER A 87 0.460 -19.467 -9.840 1.00 0.00 C ATOM 1347 OG SER A 87 -0.125 -19.816 -8.592 1.00 0.00 O ATOM 0 H SER A 87 1.077 -17.447 -8.344 1.00 0.00 H new ATOM 0 HA SER A 87 0.356 -17.807 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.088 -20.124 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.541 -19.601 -9.799 1.00 0.00 H new ATOM 0 HG SER A 87 -0.443 -20.742 -8.628 1.00 0.00 H new ATOM 1353 N GLY A 88 -2.114 -18.807 -9.652 1.00 0.00 N ATOM 1354 CA GLY A 88 -3.575 -18.639 -9.408 1.00 0.00 C ATOM 1355 C GLY A 88 -3.820 -18.255 -7.947 1.00 0.00 C ATOM 1356 O GLY A 88 -4.872 -17.764 -7.593 1.00 0.00 O ATOM 0 H GLY A 88 -1.772 -19.766 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.976 -17.869 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.100 -19.565 -9.642 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.865 -18.485 -7.090 1.00 0.00 N ATOM 1361 CA LEU A 89 -3.060 -18.142 -5.653 1.00 0.00 C ATOM 1362 C LEU A 89 -3.661 -16.739 -5.528 1.00 0.00 C ATOM 1363 O LEU A 89 -4.624 -16.531 -4.819 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.709 -18.182 -4.934 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.310 -19.635 -4.678 1.00 0.00 C ATOM 1366 CD1 LEU A 89 0.198 -19.795 -4.890 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -1.663 -20.014 -3.238 1.00 0.00 C ATOM 0 H LEU A 89 -1.960 -18.895 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.740 -18.864 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.949 -17.686 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.771 -17.639 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.846 -20.286 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.483 -20.831 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.452 -19.524 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.734 -19.144 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.379 -21.050 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.126 -19.363 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.736 -19.899 -3.084 1.00 0.00 H new ATOM 1379 N GLN A 90 -3.102 -15.775 -6.207 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.648 -14.390 -6.117 1.00 0.00 C ATOM 1381 C GLN A 90 -5.051 -14.342 -6.728 1.00 0.00 C ATOM 1382 O GLN A 90 -5.856 -13.503 -6.379 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.732 -13.431 -6.874 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.741 -13.776 -8.364 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.722 -12.892 -9.077 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -0.999 -12.069 -8.371 1.00 0.00 O flip ATOM 1387 NE2 GLN A 90 -1.581 -12.952 -10.282 1.00 0.00 N flip ATOM 0 H GLN A 90 -2.293 -15.885 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.702 -14.095 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.064 -12.403 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.717 -13.497 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.496 -14.828 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.735 -13.619 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.149 -13.598 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.894 -12.357 -10.745 1.00 0.00 H new ATOM 1396 N ARG A 91 -5.351 -15.219 -7.644 1.00 0.00 N ATOM 1397 CA ARG A 91 -6.701 -15.194 -8.275 1.00 0.00 C ATOM 1398 C ARG A 91 -7.787 -15.304 -7.203 1.00 0.00 C ATOM 1399 O ARG A 91 -8.544 -14.379 -6.978 1.00 0.00 O ATOM 1400 CB ARG A 91 -6.838 -16.362 -9.256 1.00 0.00 C ATOM 1401 CG ARG A 91 -8.179 -16.262 -9.988 1.00 0.00 C ATOM 1402 CD ARG A 91 -8.195 -15.009 -10.866 1.00 0.00 C ATOM 1403 NE ARG A 91 -9.097 -15.234 -12.030 1.00 0.00 N ATOM 1404 CZ ARG A 91 -9.496 -14.223 -12.751 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -9.102 -13.015 -12.455 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -10.288 -14.420 -13.769 1.00 0.00 N ATOM 0 H ARG A 91 -4.724 -15.949 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.819 -14.252 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.018 -16.345 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.774 -17.309 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.337 -17.149 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.996 -16.223 -9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.536 -14.150 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.187 -14.780 -11.212 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.403 -16.179 -12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.482 -12.861 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.414 -12.224 -13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.595 -15.365 -14.001 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.600 -13.629 -14.333 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.881 -16.427 -6.549 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.932 -16.593 -5.504 1.00 0.00 C ATOM 1422 C ALA A 92 -8.548 -15.815 -4.242 1.00 0.00 C ATOM 1423 O ALA A 92 -9.365 -15.145 -3.644 1.00 0.00 O ATOM 1424 CB ALA A 92 -9.076 -18.078 -5.161 1.00 0.00 C ATOM 0 H ALA A 92 -7.277 -17.237 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.878 -16.208 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.844 -18.202 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.361 -18.632 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.126 -18.459 -4.786 1.00 0.00 H new ATOM 1430 N LYS A 93 -7.316 -15.908 -3.826 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.888 -15.184 -2.594 1.00 0.00 C ATOM 1432 C LYS A 93 -7.191 -13.689 -2.730 1.00 0.00 C ATOM 1433 O LYS A 93 -7.997 -13.143 -2.003 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.385 -15.381 -2.380 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.064 -16.877 -2.324 1.00 0.00 C ATOM 1436 CD LYS A 93 -5.232 -17.382 -0.890 1.00 0.00 C ATOM 1437 CE LYS A 93 -5.216 -18.912 -0.882 1.00 0.00 C ATOM 1438 NZ LYS A 93 -6.577 -19.422 -0.556 1.00 0.00 N ATOM 0 H LYS A 93 -6.586 -16.453 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.436 -15.583 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.828 -14.910 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.073 -14.897 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.725 -17.427 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.044 -17.054 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.430 -16.996 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.169 -17.015 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.899 -19.288 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.495 -19.275 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.566 -20.462 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.863 -19.074 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.254 -19.087 -1.271 1.00 0.00 H new ATOM 1452 N THR A 94 -6.546 -13.019 -3.646 1.00 0.00 N ATOM 1453 CA THR A 94 -6.794 -11.556 -3.813 1.00 0.00 C ATOM 1454 C THR A 94 -8.297 -11.298 -3.925 1.00 0.00 C ATOM 1455 O THR A 94 -8.845 -10.453 -3.250 1.00 0.00 O ATOM 1456 CB THR A 94 -6.097 -11.066 -5.087 1.00 0.00 C ATOM 1457 OG1 THR A 94 -4.777 -11.588 -5.134 1.00 0.00 O ATOM 1458 CG2 THR A 94 -6.043 -9.536 -5.096 1.00 0.00 C ATOM 0 H THR A 94 -5.859 -13.419 -4.285 1.00 0.00 H new ATOM 0 HA THR A 94 -6.399 -11.021 -2.949 1.00 0.00 H new ATOM 0 HB THR A 94 -6.657 -11.409 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.165 -10.900 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.546 -9.195 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.056 -9.136 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.488 -9.186 -4.226 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.962 -12.023 -4.775 1.00 0.00 N ATOM 1467 CA GLY A 95 -10.429 -11.827 -4.948 1.00 0.00 C ATOM 1468 C GLY A 95 -11.129 -11.757 -3.587 1.00 0.00 C ATOM 1469 O GLY A 95 -11.775 -10.783 -3.255 1.00 0.00 O ATOM 0 H GLY A 95 -8.552 -12.749 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.615 -10.909 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.844 -12.647 -5.535 1.00 0.00 H new ATOM 1473 N THR A 96 -11.044 -12.800 -2.815 1.00 0.00 N ATOM 1474 CA THR A 96 -11.738 -12.814 -1.497 1.00 0.00 C ATOM 1475 C THR A 96 -11.178 -11.746 -0.547 1.00 0.00 C ATOM 1476 O THR A 96 -11.923 -10.999 0.058 1.00 0.00 O ATOM 1477 CB THR A 96 -11.566 -14.193 -0.856 1.00 0.00 C ATOM 1478 OG1 THR A 96 -11.863 -15.199 -1.815 1.00 0.00 O ATOM 1479 CG2 THR A 96 -12.513 -14.326 0.337 1.00 0.00 C ATOM 0 H THR A 96 -10.522 -13.648 -3.039 1.00 0.00 H new ATOM 0 HA THR A 96 -12.792 -12.595 -1.668 1.00 0.00 H new ATOM 0 HB THR A 96 -10.538 -14.309 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.067 -15.379 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.389 -15.309 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.283 -13.554 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.543 -14.210 -0.001 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.887 -11.694 -0.362 1.00 0.00 N ATOM 1488 CA ASP A 97 -9.318 -10.708 0.604 1.00 0.00 C ATOM 1489 C ASP A 97 -9.343 -9.286 0.044 1.00 0.00 C ATOM 1490 O ASP A 97 -9.622 -8.344 0.760 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.876 -11.096 0.932 1.00 0.00 C ATOM 1492 CG ASP A 97 -6.916 -10.107 0.266 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -6.912 -10.044 -0.952 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -6.202 -9.429 0.986 1.00 0.00 O ATOM 0 H ASP A 97 -9.204 -12.287 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.933 -10.726 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.725 -11.095 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.672 -12.108 0.583 1.00 0.00 H new ATOM 1499 N LYS A 98 -9.056 -9.101 -1.212 1.00 0.00 N ATOM 1500 CA LYS A 98 -9.076 -7.715 -1.754 1.00 0.00 C ATOM 1501 C LYS A 98 -10.446 -7.100 -1.472 1.00 0.00 C ATOM 1502 O LYS A 98 -10.587 -5.900 -1.349 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.802 -7.739 -3.255 1.00 0.00 C ATOM 1504 CG LYS A 98 -10.013 -8.311 -3.989 1.00 0.00 C ATOM 1505 CD LYS A 98 -10.840 -7.172 -4.593 1.00 0.00 C ATOM 1506 CE LYS A 98 -12.292 -7.627 -4.755 1.00 0.00 C ATOM 1507 NZ LYS A 98 -12.856 -7.051 -6.009 1.00 0.00 N ATOM 0 H LYS A 98 -8.812 -9.835 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.302 -7.116 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.591 -6.731 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.919 -8.343 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.685 -8.991 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.626 -8.892 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.793 -6.293 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.428 -6.882 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.342 -8.715 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.883 -7.306 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.843 -7.360 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.822 -6.013 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.298 -7.378 -6.823 1.00 0.00 H new ATOM 1521 N THR A 99 -11.457 -7.917 -1.348 1.00 0.00 N ATOM 1522 CA THR A 99 -12.811 -7.381 -1.051 1.00 0.00 C ATOM 1523 C THR A 99 -12.879 -7.050 0.440 1.00 0.00 C ATOM 1524 O THR A 99 -13.575 -6.147 0.858 1.00 0.00 O ATOM 1525 CB THR A 99 -13.869 -8.433 -1.393 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.424 -9.205 -2.500 1.00 0.00 O ATOM 1527 CG2 THR A 99 -15.184 -7.738 -1.750 1.00 0.00 C ATOM 0 H THR A 99 -11.401 -8.931 -1.440 1.00 0.00 H new ATOM 0 HA THR A 99 -13.000 -6.487 -1.645 1.00 0.00 H new ATOM 0 HB THR A 99 -14.027 -9.085 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.927 -9.985 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.937 -8.487 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.524 -7.144 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.029 -7.086 -2.610 1.00 0.00 H new ATOM 1535 N LEU A 100 -12.148 -7.775 1.244 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.154 -7.505 2.709 1.00 0.00 C ATOM 1537 C LEU A 100 -11.420 -6.192 2.985 1.00 0.00 C ATOM 1538 O LEU A 100 -12.001 -5.234 3.453 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.446 -8.648 3.445 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.450 -9.762 3.744 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -11.754 -11.120 3.632 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -12.996 -9.587 5.163 1.00 0.00 C ATOM 0 H LEU A 100 -11.546 -8.544 0.948 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.183 -7.431 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.628 -9.035 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.007 -8.281 4.373 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.271 -9.713 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.469 -11.914 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.362 -11.246 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.934 -11.169 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.712 -10.380 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.174 -9.636 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.491 -8.619 5.246 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.144 -6.141 2.708 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.373 -4.892 2.968 1.00 0.00 C ATOM 1556 C VAL A 101 -10.194 -3.672 2.544 1.00 0.00 C ATOM 1557 O VAL A 101 -10.280 -2.693 3.257 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.067 -4.924 2.170 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -8.372 -4.726 0.685 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.147 -3.801 2.653 1.00 0.00 C ATOM 0 H VAL A 101 -9.603 -6.910 2.313 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.153 -4.824 4.033 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.576 -5.886 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.442 -4.749 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.029 -5.524 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.863 -3.764 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.217 -3.823 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.639 -2.839 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.929 -3.939 3.712 1.00 0.00 H new ATOM 1570 N LYS A 102 -10.796 -3.723 1.390 1.00 0.00 N ATOM 1571 CA LYS A 102 -11.609 -2.565 0.924 1.00 0.00 C ATOM 1572 C LYS A 102 -12.826 -2.392 1.836 1.00 0.00 C ATOM 1573 O LYS A 102 -13.220 -1.289 2.157 1.00 0.00 O ATOM 1574 CB LYS A 102 -12.077 -2.819 -0.512 1.00 0.00 C ATOM 1575 CG LYS A 102 -13.427 -2.138 -0.740 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.697 -2.030 -2.243 1.00 0.00 C ATOM 1577 CE LYS A 102 -13.725 -3.430 -2.858 1.00 0.00 C ATOM 1578 NZ LYS A 102 -14.731 -3.468 -3.957 1.00 0.00 N ATOM 0 H LYS A 102 -10.761 -4.516 0.749 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.004 -1.659 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.341 -2.435 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.164 -3.890 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.220 -2.709 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.427 -1.146 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.647 -1.526 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.924 -1.427 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.739 -3.690 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.974 -4.169 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.751 -4.420 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.671 -3.238 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.474 -2.773 -4.687 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.429 -3.472 2.248 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.627 -3.370 3.130 1.00 0.00 C ATOM 1594 C GLU A 103 -14.261 -2.659 4.438 1.00 0.00 C ATOM 1595 O GLU A 103 -14.918 -1.724 4.848 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.146 -4.774 3.445 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.547 -4.944 2.853 1.00 0.00 C ATOM 1598 CD GLU A 103 -17.119 -6.299 3.277 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -16.409 -7.040 3.936 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -18.257 -6.572 2.936 1.00 0.00 O ATOM 0 H GLU A 103 -13.144 -4.423 2.012 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.399 -2.796 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.471 -5.524 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.174 -4.930 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.198 -4.139 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.504 -4.879 1.766 1.00 0.00 H new ATOM 1607 N VAL A 104 -13.227 -3.099 5.102 1.00 0.00 N ATOM 1608 CA VAL A 104 -12.838 -2.448 6.387 1.00 0.00 C ATOM 1609 C VAL A 104 -12.107 -1.133 6.106 1.00 0.00 C ATOM 1610 O VAL A 104 -11.158 -0.787 6.780 1.00 0.00 O ATOM 1611 CB VAL A 104 -11.918 -3.383 7.176 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -11.616 -2.770 8.545 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -12.608 -4.735 7.365 1.00 0.00 C ATOM 0 H VAL A 104 -12.636 -3.878 4.812 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.737 -2.242 6.969 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.986 -3.522 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.961 -3.437 9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.125 -1.806 8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.547 -2.630 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.954 -5.402 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.540 -4.594 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.823 -5.173 6.390 1.00 0.00 H new ATOM 1623 N VAL A 105 -12.544 -0.397 5.120 1.00 0.00 N ATOM 1624 CA VAL A 105 -11.878 0.898 4.798 1.00 0.00 C ATOM 1625 C VAL A 105 -12.830 2.053 5.109 1.00 0.00 C ATOM 1626 O VAL A 105 -14.003 2.009 4.797 1.00 0.00 O ATOM 1627 CB VAL A 105 -11.507 0.929 3.315 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -12.717 1.379 2.495 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -10.354 1.912 3.101 1.00 0.00 C ATOM 0 H VAL A 105 -13.335 -0.637 4.522 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.975 0.999 5.400 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.202 -0.068 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -12.452 1.401 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -13.540 0.681 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -13.022 2.376 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.088 1.936 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.661 2.908 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.491 1.593 3.686 1.00 0.00 H new ATOM 1639 N GLN A 106 -12.329 3.089 5.719 1.00 0.00 N ATOM 1640 CA GLN A 106 -13.194 4.254 6.050 1.00 0.00 C ATOM 1641 C GLN A 106 -12.368 5.534 5.932 1.00 0.00 C ATOM 1642 O GLN A 106 -12.665 6.537 6.550 1.00 0.00 O ATOM 1643 CB GLN A 106 -13.720 4.113 7.480 1.00 0.00 C ATOM 1644 CG GLN A 106 -14.031 2.642 7.766 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.586 2.505 9.186 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -14.897 3.490 9.826 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -14.724 1.317 9.707 1.00 0.00 N ATOM 0 H GLN A 106 -11.354 3.180 6.004 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.038 4.294 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.980 4.484 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.618 4.718 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.755 2.265 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.129 2.040 7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.463 0.491 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.093 1.214 10.652 1.00 0.00 H new ATOM 1656 N ASN A 107 -11.328 5.503 5.144 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.475 6.716 4.987 1.00 0.00 C ATOM 1658 C ASN A 107 -10.145 6.941 3.508 1.00 0.00 C ATOM 1659 O ASN A 107 -9.869 8.047 3.088 1.00 0.00 O ATOM 1660 CB ASN A 107 -9.174 6.525 5.771 1.00 0.00 C ATOM 1661 CG ASN A 107 -8.878 7.785 6.588 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -9.306 8.867 6.236 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -8.157 7.690 7.673 1.00 0.00 N ATOM 0 H ASN A 107 -11.032 4.691 4.602 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.015 7.583 5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.259 5.662 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.351 6.322 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.953 8.523 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.798 6.782 7.969 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.162 5.905 2.715 1.00 0.00 N ATOM 1671 CA PHE A 108 -9.838 6.072 1.269 1.00 0.00 C ATOM 1672 C PHE A 108 -11.024 6.683 0.525 1.00 0.00 C ATOM 1673 O PHE A 108 -12.109 6.812 1.056 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.518 4.715 0.649 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.787 4.134 0.073 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.938 4.056 0.865 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.819 3.692 -1.254 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -13.122 3.533 0.330 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -12.002 3.168 -1.787 1.00 0.00 C ATOM 1680 CZ PHE A 108 -13.154 3.089 -0.995 1.00 0.00 C ATOM 0 H PHE A 108 -10.385 4.953 3.004 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.976 6.733 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.765 4.824 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.103 4.044 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.913 4.399 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.932 3.755 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -14.010 3.473 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -12.027 2.824 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 108 -14.067 2.685 -1.408 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.814 7.049 -0.711 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.911 7.641 -1.520 1.00 0.00 C ATOM 1692 C ALA A 109 -12.187 6.727 -2.716 1.00 0.00 C ATOM 1693 O ALA A 109 -13.301 6.620 -3.189 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.488 9.024 -2.020 1.00 0.00 C ATOM 0 H ALA A 109 -9.921 6.961 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.810 7.740 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.293 9.458 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.276 9.670 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.593 8.930 -2.635 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.172 6.066 -3.204 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.354 5.150 -4.366 1.00 0.00 C ATOM 1702 C LYS A 110 -10.155 4.200 -4.450 1.00 0.00 C ATOM 1703 O LYS A 110 -9.062 4.533 -4.035 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.443 5.975 -5.653 1.00 0.00 C ATOM 1705 CG LYS A 110 -11.152 5.078 -6.858 1.00 0.00 C ATOM 1706 CD LYS A 110 -11.786 5.683 -8.111 1.00 0.00 C ATOM 1707 CE LYS A 110 -11.132 7.032 -8.417 1.00 0.00 C ATOM 1708 NZ LYS A 110 -11.575 8.038 -7.410 1.00 0.00 N ATOM 0 H LYS A 110 -10.219 6.122 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.270 4.573 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.435 6.416 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.730 6.799 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.076 4.975 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -11.548 4.078 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.661 5.007 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -12.858 5.813 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.047 6.935 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.404 7.361 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.747 8.949 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.452 7.712 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.835 8.156 -6.689 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.344 3.024 -4.987 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.206 2.063 -5.098 1.00 0.00 C ATOM 1724 C GLU A 111 -8.724 2.024 -6.549 1.00 0.00 C ATOM 1725 O GLU A 111 -9.463 2.331 -7.464 1.00 0.00 O ATOM 1726 CB GLU A 111 -9.661 0.661 -4.681 1.00 0.00 C ATOM 1727 CG GLU A 111 -10.400 0.732 -3.345 1.00 0.00 C ATOM 1728 CD GLU A 111 -10.060 -0.502 -2.507 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -9.903 -1.563 -3.087 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -9.967 -0.364 -1.298 1.00 0.00 O ATOM 0 H GLU A 111 -11.235 2.687 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.397 2.386 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.313 0.238 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.799 -0.001 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.117 1.638 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.475 0.784 -3.515 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.490 1.657 -6.766 1.00 0.00 N ATOM 1738 CA PHE A 112 -6.963 1.606 -8.159 1.00 0.00 C ATOM 1739 C PHE A 112 -6.203 0.298 -8.378 1.00 0.00 C ATOM 1740 O PHE A 112 -5.717 -0.313 -7.447 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.020 2.790 -8.383 1.00 0.00 C ATOM 1742 CG PHE A 112 -6.804 3.950 -8.945 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.450 4.841 -8.081 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -6.888 4.133 -10.330 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.180 5.916 -8.601 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.618 5.207 -10.851 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.265 6.099 -9.986 1.00 0.00 C ATOM 0 H PHE A 112 -6.825 1.391 -6.040 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.793 1.658 -8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.547 3.076 -7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.221 2.509 -9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.385 4.699 -7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.389 3.445 -10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -8.678 6.604 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.683 5.348 -11.920 1.00 0.00 H new ATOM 0 HZ PHE A 112 -8.829 6.928 -10.388 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.089 -0.128 -9.608 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.353 -1.389 -9.904 1.00 0.00 C ATOM 1759 C VAL A 113 -4.092 -1.047 -10.697 1.00 0.00 C ATOM 1760 O VAL A 113 -4.132 -0.865 -11.898 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.241 -2.319 -10.732 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -6.563 -1.658 -12.072 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -5.507 -3.638 -10.979 1.00 0.00 C ATOM 0 H VAL A 113 -6.476 0.347 -10.423 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.083 -1.888 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.167 -2.513 -10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.196 -2.321 -12.662 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.086 -0.718 -11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.637 -1.463 -12.613 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.139 -4.301 -11.569 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.581 -3.443 -11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.277 -4.111 -10.024 1.00 0.00 H new ATOM 1773 N ILE A 114 -2.974 -0.945 -10.035 1.00 0.00 N ATOM 1774 CA ILE A 114 -1.716 -0.599 -10.748 1.00 0.00 C ATOM 1775 C ILE A 114 -0.892 -1.864 -10.993 1.00 0.00 C ATOM 1776 O ILE A 114 -0.834 -2.752 -10.165 1.00 0.00 O ATOM 1777 CB ILE A 114 -0.913 0.386 -9.900 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -1.799 1.581 -9.524 1.00 0.00 C ATOM 1779 CG2 ILE A 114 0.296 0.874 -10.696 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -2.458 2.160 -10.777 1.00 0.00 C ATOM 0 H ILE A 114 -2.878 -1.087 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.956 -0.143 -11.709 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.572 -0.110 -8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.564 1.268 -8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.200 2.347 -9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.870 1.577 -10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.925 0.024 -10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.043 1.370 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.085 3.008 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.688 2.491 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.072 1.395 -11.252 1.00 0.00 H new ATOM 1792 N SER A 115 -0.247 -1.949 -12.126 1.00 0.00 N ATOM 1793 CA SER A 115 0.581 -3.150 -12.427 1.00 0.00 C ATOM 1794 C SER A 115 1.864 -2.721 -13.146 1.00 0.00 C ATOM 1795 O SER A 115 2.550 -3.529 -13.740 1.00 0.00 O ATOM 1796 CB SER A 115 -0.211 -4.103 -13.323 1.00 0.00 C ATOM 1797 OG SER A 115 -1.563 -4.143 -12.886 1.00 0.00 O ATOM 0 H SER A 115 -0.259 -1.237 -12.856 1.00 0.00 H new ATOM 0 HA SER A 115 0.839 -3.655 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.162 -3.771 -14.360 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.225 -5.101 -13.287 1.00 0.00 H new ATOM 0 HG SER A 115 -2.074 -4.752 -13.459 1.00 0.00 H new ATOM 1803 N ASP A 116 2.194 -1.457 -13.106 1.00 0.00 N ATOM 1804 CA ASP A 116 3.431 -0.990 -13.797 1.00 0.00 C ATOM 1805 C ASP A 116 4.140 0.070 -12.949 1.00 0.00 C ATOM 1806 O ASP A 116 3.533 0.741 -12.139 1.00 0.00 O ATOM 1807 CB ASP A 116 3.058 -0.387 -15.153 1.00 0.00 C ATOM 1808 CG ASP A 116 3.924 -1.013 -16.247 1.00 0.00 C ATOM 1809 OD1 ASP A 116 3.792 -2.205 -16.472 1.00 0.00 O ATOM 1810 OD2 ASP A 116 4.706 -0.289 -16.842 1.00 0.00 O ATOM 0 H ASP A 116 1.662 -0.730 -12.627 1.00 0.00 H new ATOM 0 HA ASP A 116 4.100 -1.838 -13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.003 -0.564 -15.364 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.202 0.693 -15.134 1.00 0.00 H new ATOM 1815 N ARG A 117 5.426 0.221 -13.131 1.00 0.00 N ATOM 1816 CA ARG A 117 6.184 1.234 -12.342 1.00 0.00 C ATOM 1817 C ARG A 117 5.782 2.642 -12.788 1.00 0.00 C ATOM 1818 O ARG A 117 5.689 3.552 -11.989 1.00 0.00 O ATOM 1819 CB ARG A 117 7.686 1.036 -12.569 1.00 0.00 C ATOM 1820 CG ARG A 117 8.469 1.834 -11.525 1.00 0.00 C ATOM 1821 CD ARG A 117 9.885 2.099 -12.042 1.00 0.00 C ATOM 1822 NE ARG A 117 10.558 0.802 -12.334 1.00 0.00 N ATOM 1823 CZ ARG A 117 11.645 0.779 -13.056 1.00 0.00 C ATOM 1824 NH1 ARG A 117 12.143 1.891 -13.521 1.00 0.00 N ATOM 1825 NH2 ARG A 117 12.234 -0.357 -13.310 1.00 0.00 N ATOM 0 H ARG A 117 5.985 -0.316 -13.794 1.00 0.00 H new ATOM 0 HA ARG A 117 5.955 1.112 -11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.939 -0.022 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.959 1.363 -13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.963 2.777 -11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.511 1.282 -10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.846 2.712 -12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.456 2.658 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 117 10.169 -0.068 -11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.683 2.779 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.993 1.873 -14.085 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.845 -1.226 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.084 -0.376 -13.874 1.00 0.00 H new ATOM 1839 N LYS A 118 5.529 2.826 -14.056 1.00 0.00 N ATOM 1840 CA LYS A 118 5.117 4.173 -14.545 1.00 0.00 C ATOM 1841 C LYS A 118 3.659 4.398 -14.163 1.00 0.00 C ATOM 1842 O LYS A 118 3.168 5.508 -14.145 1.00 0.00 O ATOM 1843 CB LYS A 118 5.267 4.238 -16.066 1.00 0.00 C ATOM 1844 CG LYS A 118 6.659 4.767 -16.420 1.00 0.00 C ATOM 1845 CD LYS A 118 7.721 3.917 -15.721 1.00 0.00 C ATOM 1846 CE LYS A 118 9.050 4.044 -16.468 1.00 0.00 C ATOM 1847 NZ LYS A 118 9.264 5.465 -16.865 1.00 0.00 N ATOM 0 H LYS A 118 5.590 2.103 -14.773 1.00 0.00 H new ATOM 0 HA LYS A 118 5.745 4.943 -14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.122 3.248 -16.499 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.501 4.887 -16.490 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.807 4.738 -17.499 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.752 5.809 -16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.840 4.242 -14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.406 2.874 -15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.869 3.705 -15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.045 3.405 -17.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.280 5.636 -17.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.752 5.659 -17.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.910 6.092 -16.115 1.00 0.00 H new ATOM 1861 N GLU A 119 2.968 3.341 -13.841 1.00 0.00 N ATOM 1862 CA GLU A 119 1.546 3.474 -13.437 1.00 0.00 C ATOM 1863 C GLU A 119 1.499 3.840 -11.953 1.00 0.00 C ATOM 1864 O GLU A 119 0.499 4.297 -11.443 1.00 0.00 O ATOM 1865 CB GLU A 119 0.828 2.144 -13.676 1.00 0.00 C ATOM 1866 CG GLU A 119 0.487 2.009 -15.161 1.00 0.00 C ATOM 1867 CD GLU A 119 -0.679 2.937 -15.504 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -1.813 2.533 -15.297 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -0.421 4.035 -15.968 1.00 0.00 O ATOM 0 H GLU A 119 3.331 2.388 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 119 1.052 4.250 -14.022 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.461 1.315 -13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.082 2.097 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.356 2.260 -15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.224 0.977 -15.392 1.00 0.00 H new ATOM 1876 N LEU A 120 2.594 3.656 -11.263 1.00 0.00 N ATOM 1877 CA LEU A 120 2.647 4.008 -9.816 1.00 0.00 C ATOM 1878 C LEU A 120 3.416 5.325 -9.674 1.00 0.00 C ATOM 1879 O LEU A 120 4.085 5.575 -8.692 1.00 0.00 O ATOM 1880 CB LEU A 120 3.372 2.896 -9.050 1.00 0.00 C ATOM 1881 CG LEU A 120 2.443 2.302 -7.989 1.00 0.00 C ATOM 1882 CD1 LEU A 120 3.039 0.993 -7.469 1.00 0.00 C ATOM 1883 CD2 LEU A 120 2.294 3.290 -6.830 1.00 0.00 C ATOM 0 H LEU A 120 3.460 3.274 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 120 1.641 4.117 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.694 2.117 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.270 3.294 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 120 1.465 2.108 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.379 0.568 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.147 0.289 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.017 1.188 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.632 2.867 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.272 3.484 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.872 4.224 -7.200 1.00 0.00 H new ATOM 1895 N GLU A 121 3.318 6.159 -10.670 1.00 0.00 N ATOM 1896 CA GLU A 121 4.029 7.469 -10.657 1.00 0.00 C ATOM 1897 C GLU A 121 3.332 8.443 -9.708 1.00 0.00 C ATOM 1898 O GLU A 121 2.364 8.107 -9.052 1.00 0.00 O ATOM 1899 CB GLU A 121 3.992 8.016 -12.091 1.00 0.00 C ATOM 1900 CG GLU A 121 2.789 8.938 -12.304 1.00 0.00 C ATOM 1901 CD GLU A 121 1.603 8.522 -11.415 1.00 0.00 C ATOM 1902 OE1 GLU A 121 1.405 7.331 -11.241 1.00 0.00 O ATOM 1903 OE2 GLU A 121 0.933 9.398 -10.900 1.00 0.00 O ATOM 0 H GLU A 121 2.765 5.985 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 121 5.056 7.346 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.912 8.562 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.947 7.187 -12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.072 9.966 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.488 8.912 -13.351 1.00 0.00 H new ATOM 1910 N GLU A 122 3.787 9.655 -9.666 1.00 0.00 N ATOM 1911 CA GLU A 122 3.116 10.663 -8.811 1.00 0.00 C ATOM 1912 C GLU A 122 1.920 11.280 -9.558 1.00 0.00 C ATOM 1913 O GLU A 122 0.871 11.511 -8.988 1.00 0.00 O ATOM 1914 CB GLU A 122 4.111 11.764 -8.436 1.00 0.00 C ATOM 1915 CG GLU A 122 5.536 11.279 -8.710 1.00 0.00 C ATOM 1916 CD GLU A 122 6.533 12.194 -7.995 1.00 0.00 C ATOM 1917 OE1 GLU A 122 6.388 13.399 -8.112 1.00 0.00 O ATOM 1918 OE2 GLU A 122 7.424 11.673 -7.345 1.00 0.00 O ATOM 0 H GLU A 122 4.596 9.994 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 122 2.755 10.175 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.905 12.666 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.001 12.026 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.655 10.252 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.731 11.278 -9.782 1.00 0.00 H new ATOM 1925 N ASP A 123 2.101 11.628 -10.814 1.00 0.00 N ATOM 1926 CA ASP A 123 1.012 12.329 -11.582 1.00 0.00 C ATOM 1927 C ASP A 123 -0.021 11.393 -12.245 1.00 0.00 C ATOM 1928 O ASP A 123 -1.206 11.650 -12.171 1.00 0.00 O ATOM 1929 CB ASP A 123 1.660 13.184 -12.670 1.00 0.00 C ATOM 1930 CG ASP A 123 1.375 12.569 -14.042 1.00 0.00 C ATOM 1931 OD1 ASP A 123 1.898 11.501 -14.310 1.00 0.00 O ATOM 1932 OD2 ASP A 123 0.637 13.177 -14.800 1.00 0.00 O ATOM 0 H ASP A 123 2.957 11.457 -11.342 1.00 0.00 H new ATOM 0 HA ASP A 123 0.460 12.921 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.270 14.201 -12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.736 13.248 -12.505 1.00 0.00 H new ATOM 1937 N PHE A 124 0.376 10.330 -12.897 1.00 0.00 N ATOM 1938 CA PHE A 124 -0.651 9.451 -13.540 1.00 0.00 C ATOM 1939 C PHE A 124 -1.730 9.127 -12.521 1.00 0.00 C ATOM 1940 O PHE A 124 -2.908 9.105 -12.817 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.031 8.133 -14.015 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.138 7.172 -14.373 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -2.119 7.522 -15.309 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.196 5.930 -13.730 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -3.155 6.622 -15.601 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.230 5.038 -14.017 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.208 5.381 -14.951 1.00 0.00 C ATOM 0 H PHE A 124 1.346 10.035 -13.012 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.064 9.980 -14.399 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.610 8.308 -14.879 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.598 7.709 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -2.078 8.481 -15.804 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -0.438 5.661 -13.009 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -3.911 6.885 -16.326 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.273 4.082 -13.516 1.00 0.00 H new ATOM 0 HZ PHE A 124 -4.007 4.689 -15.174 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.321 8.873 -11.319 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.304 8.539 -10.252 1.00 0.00 C ATOM 1959 C ILE A 125 -2.977 9.818 -9.747 1.00 0.00 C ATOM 1960 O ILE A 125 -4.094 9.793 -9.270 1.00 0.00 O ATOM 1961 CB ILE A 125 -1.593 7.850 -9.089 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -0.783 6.653 -9.623 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -2.641 7.387 -8.074 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -1.434 5.329 -9.208 1.00 0.00 C ATOM 0 H ILE A 125 -0.345 8.881 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.059 7.869 -10.664 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.906 8.541 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.718 6.707 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.237 6.698 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.145 6.893 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.198 8.249 -7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.327 6.688 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.846 4.497 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.475 5.269 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.445 5.278 -9.612 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.312 10.936 -9.841 1.00 0.00 N ATOM 1977 CA ARG A 126 -2.929 12.206 -9.360 1.00 0.00 C ATOM 1978 C ARG A 126 -4.116 12.576 -10.256 1.00 0.00 C ATOM 1979 O ARG A 126 -5.174 12.938 -9.779 1.00 0.00 O ATOM 1980 CB ARG A 126 -1.889 13.327 -9.404 1.00 0.00 C ATOM 1981 CG ARG A 126 -2.297 14.442 -8.438 1.00 0.00 C ATOM 1982 CD ARG A 126 -1.296 15.594 -8.535 1.00 0.00 C ATOM 1983 NE ARG A 126 -1.168 16.023 -9.956 1.00 0.00 N ATOM 1984 CZ ARG A 126 -0.607 17.166 -10.243 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -0.159 17.933 -9.287 1.00 0.00 N ATOM 1986 NH2 ARG A 126 -0.495 17.543 -11.488 1.00 0.00 N ATOM 0 H ARG A 126 -1.373 11.026 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.278 12.072 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.908 12.938 -9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.807 13.721 -10.417 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.300 14.796 -8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.330 14.060 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.628 16.431 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.326 15.280 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.518 15.424 -10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.247 17.639 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.279 18.826 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.846 16.944 -12.236 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.057 18.436 -11.713 1.00 0.00 H new ATOM 2000 N SER A 127 -3.948 12.493 -11.547 1.00 0.00 N ATOM 2001 CA SER A 127 -5.066 12.846 -12.472 1.00 0.00 C ATOM 2002 C SER A 127 -6.243 11.889 -12.263 1.00 0.00 C ATOM 2003 O SER A 127 -7.309 12.287 -11.838 1.00 0.00 O ATOM 2004 CB SER A 127 -4.578 12.744 -13.918 1.00 0.00 C ATOM 2005 OG SER A 127 -5.264 13.701 -14.713 1.00 0.00 O ATOM 0 H SER A 127 -3.085 12.196 -12.003 1.00 0.00 H new ATOM 0 HA SER A 127 -5.394 13.864 -12.264 1.00 0.00 H new ATOM 0 HB2 SER A 127 -3.503 12.919 -13.964 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.755 11.740 -14.304 1.00 0.00 H new ATOM 0 HG SER A 127 -4.953 13.640 -15.640 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.063 10.637 -12.589 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.184 9.663 -12.440 1.00 0.00 C ATOM 2013 C GLU A 128 -7.909 9.924 -11.118 1.00 0.00 C ATOM 2014 O GLU A 128 -9.108 9.751 -11.015 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.637 8.233 -12.457 1.00 0.00 C ATOM 2016 CG GLU A 128 -5.862 7.958 -11.167 1.00 0.00 C ATOM 2017 CD GLU A 128 -5.159 6.604 -11.275 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -4.948 6.156 -12.390 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -4.846 6.037 -10.241 1.00 0.00 O ATOM 0 H GLU A 128 -5.192 10.247 -12.951 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.882 9.785 -13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.457 7.522 -12.558 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -5.986 8.093 -13.320 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.130 8.747 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -6.541 7.961 -10.314 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.201 10.350 -10.110 1.00 0.00 N ATOM 2027 CA LEU A 129 -7.863 10.629 -8.807 1.00 0.00 C ATOM 2028 C LEU A 129 -8.558 11.991 -8.881 1.00 0.00 C ATOM 2029 O LEU A 129 -9.588 12.208 -8.274 1.00 0.00 O ATOM 2030 CB LEU A 129 -6.816 10.651 -7.690 1.00 0.00 C ATOM 2031 CG LEU A 129 -6.889 9.348 -6.892 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.763 9.318 -5.856 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.237 9.264 -6.176 1.00 0.00 C ATOM 0 H LEU A 129 -6.195 10.517 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.596 9.851 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -5.820 10.774 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.990 11.502 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.782 8.502 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.816 8.389 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.800 9.379 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.870 10.165 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.290 8.336 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.342 10.111 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.041 9.285 -6.911 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.009 12.906 -9.632 1.00 0.00 N ATOM 2046 CA LYS A 130 -8.647 14.247 -9.754 1.00 0.00 C ATOM 2047 C LYS A 130 -9.954 14.106 -10.536 1.00 0.00 C ATOM 2048 O LYS A 130 -10.907 14.825 -10.310 1.00 0.00 O ATOM 2049 CB LYS A 130 -7.706 15.196 -10.498 1.00 0.00 C ATOM 2050 CG LYS A 130 -6.557 15.605 -9.575 1.00 0.00 C ATOM 2051 CD LYS A 130 -5.325 15.952 -10.413 1.00 0.00 C ATOM 2052 CE LYS A 130 -4.564 17.103 -9.752 1.00 0.00 C ATOM 2053 NZ LYS A 130 -4.473 16.858 -8.284 1.00 0.00 N ATOM 0 H LYS A 130 -7.148 12.783 -10.165 1.00 0.00 H new ATOM 0 HA LYS A 130 -8.852 14.650 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -7.313 14.709 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -8.251 16.079 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.851 16.462 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.324 14.793 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -4.678 15.080 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.626 16.233 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -3.565 17.187 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -5.073 18.048 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -3.569 17.227 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.259 17.340 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -4.528 15.836 -8.099 1.00 0.00 H new ATOM 2067 N LYS A 131 -10.005 13.182 -11.457 1.00 0.00 N ATOM 2068 CA LYS A 131 -11.248 12.992 -12.256 1.00 0.00 C ATOM 2069 C LYS A 131 -12.440 12.815 -11.313 1.00 0.00 C ATOM 2070 O LYS A 131 -13.331 13.639 -11.262 1.00 0.00 O ATOM 2071 CB LYS A 131 -11.102 11.747 -13.132 1.00 0.00 C ATOM 2072 CG LYS A 131 -11.349 12.119 -14.595 1.00 0.00 C ATOM 2073 CD LYS A 131 -12.773 12.655 -14.754 1.00 0.00 C ATOM 2074 CE LYS A 131 -13.394 12.085 -16.031 1.00 0.00 C ATOM 2075 NZ LYS A 131 -13.583 10.615 -15.878 1.00 0.00 N ATOM 0 H LYS A 131 -9.239 12.550 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.412 13.865 -12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.104 11.324 -13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.811 10.982 -12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -10.628 12.871 -14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.205 11.246 -15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -13.376 12.378 -13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.760 13.744 -14.798 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.351 12.567 -16.229 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.750 12.293 -16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.027 10.116 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.265 10.321 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -14.590 10.381 -15.993 1.00 0.00 H new ATOM 2089 N ALA A 132 -12.463 11.746 -10.566 1.00 0.00 N ATOM 2090 CA ALA A 132 -13.598 11.516 -9.629 1.00 0.00 C ATOM 2091 C ALA A 132 -14.816 11.026 -10.413 1.00 0.00 C ATOM 2092 O ALA A 132 -15.656 10.317 -9.896 1.00 0.00 O ATOM 2093 CB ALA A 132 -13.944 12.825 -8.915 1.00 0.00 C ATOM 0 H ALA A 132 -11.745 11.022 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 132 -13.314 10.764 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -14.775 12.657 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -13.076 13.175 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.228 13.577 -9.651 1.00 0.00 H new ATOM 2099 N GLY A 133 -14.918 11.396 -11.661 1.00 0.00 N ATOM 2100 CA GLY A 133 -16.081 10.950 -12.479 1.00 0.00 C ATOM 2101 C GLY A 133 -17.361 11.597 -11.946 1.00 0.00 C ATOM 2102 O GLY A 133 -18.437 11.042 -12.046 1.00 0.00 O ATOM 0 H GLY A 133 -14.246 11.988 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -15.931 11.224 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -16.168 9.864 -12.444 1.00 0.00 H new ATOM 2106 N GLY A 134 -17.254 12.768 -11.380 1.00 0.00 N ATOM 2107 CA GLY A 134 -18.466 13.448 -10.841 1.00 0.00 C ATOM 2108 C GLY A 134 -19.332 12.434 -10.091 1.00 0.00 C ATOM 2109 O GLY A 134 -19.156 12.206 -8.911 1.00 0.00 O ATOM 0 H GLY A 134 -16.381 13.283 -11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -18.174 14.257 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -19.036 13.897 -11.655 1.00 0.00 H new ATOM 2113 N ALA A 135 -20.266 11.824 -10.767 1.00 0.00 N ATOM 2114 CA ALA A 135 -21.142 10.824 -10.092 1.00 0.00 C ATOM 2115 C ALA A 135 -21.731 9.874 -11.135 1.00 0.00 C ATOM 2116 O ALA A 135 -21.507 8.680 -11.098 1.00 0.00 O ATOM 2117 CB ALA A 135 -22.276 11.550 -9.364 1.00 0.00 C ATOM 0 H ALA A 135 -20.461 11.974 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 135 -20.555 10.253 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -22.917 10.820 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -21.856 12.227 -8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -22.863 12.121 -10.083 1.00 0.00 H new ATOM 2123 N ASN A 136 -22.482 10.393 -12.067 1.00 0.00 N ATOM 2124 CA ASN A 136 -23.084 9.517 -13.112 1.00 0.00 C ATOM 2125 C ASN A 136 -23.097 10.257 -14.452 1.00 0.00 C ATOM 2126 O ASN A 136 -22.133 10.895 -14.828 1.00 0.00 O ATOM 2127 CB ASN A 136 -24.518 9.160 -12.714 1.00 0.00 C ATOM 2128 CG ASN A 136 -25.376 10.427 -12.702 1.00 0.00 C ATOM 2129 OD1 ASN A 136 -24.904 11.490 -12.350 1.00 0.00 O ATOM 2130 ND2 ASN A 136 -26.624 10.359 -13.076 1.00 0.00 N ATOM 0 H ASN A 136 -22.705 11.385 -12.150 1.00 0.00 H new ATOM 0 HA ASN A 136 -22.494 8.605 -13.205 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -24.931 8.435 -13.415 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -24.528 8.692 -11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -27.204 11.198 -13.073 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -27.020 9.467 -13.371 1.00 0.00 H new ATOM 2137 N TYR A 137 -24.179 10.176 -15.175 1.00 0.00 N ATOM 2138 CA TYR A 137 -24.251 10.874 -16.490 1.00 0.00 C ATOM 2139 C TYR A 137 -23.090 10.416 -17.374 1.00 0.00 C ATOM 2140 O TYR A 137 -22.645 11.132 -18.249 1.00 0.00 O ATOM 2141 CB TYR A 137 -24.160 12.386 -16.269 1.00 0.00 C ATOM 2142 CG TYR A 137 -24.469 13.101 -17.562 1.00 0.00 C ATOM 2143 CD1 TYR A 137 -25.792 13.213 -18.003 1.00 0.00 C ATOM 2144 CD2 TYR A 137 -23.430 13.655 -18.320 1.00 0.00 C ATOM 2145 CE1 TYR A 137 -26.078 13.877 -19.202 1.00 0.00 C ATOM 2146 CE2 TYR A 137 -23.715 14.319 -19.519 1.00 0.00 C ATOM 2147 CZ TYR A 137 -25.039 14.430 -19.960 1.00 0.00 C ATOM 2148 OH TYR A 137 -25.320 15.086 -21.142 1.00 0.00 O ATOM 0 H TYR A 137 -25.017 9.657 -14.913 1.00 0.00 H new ATOM 0 HA TYR A 137 -25.195 10.634 -16.979 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -24.861 12.694 -15.494 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -23.162 12.655 -15.922 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -26.594 12.787 -17.418 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -22.409 13.570 -17.980 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -27.100 13.963 -19.542 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -22.913 14.746 -20.104 1.00 0.00 H new ATOM 0 HH TYR A 137 -24.486 15.410 -21.542 1.00 0.00 H new ATOM 2158 N ASP A 138 -22.595 9.229 -17.153 1.00 0.00 N ATOM 2159 CA ASP A 138 -21.463 8.727 -17.981 1.00 0.00 C ATOM 2160 C ASP A 138 -21.301 7.221 -17.765 1.00 0.00 C ATOM 2161 O ASP A 138 -20.242 6.665 -17.976 1.00 0.00 O ATOM 2162 CB ASP A 138 -20.175 9.443 -17.572 1.00 0.00 C ATOM 2163 CG ASP A 138 -19.783 9.020 -16.155 1.00 0.00 C ATOM 2164 OD1 ASP A 138 -20.676 8.852 -15.340 1.00 0.00 O ATOM 2165 OD2 ASP A 138 -18.597 8.871 -15.908 1.00 0.00 O ATOM 0 H ASP A 138 -22.926 8.585 -16.434 1.00 0.00 H new ATOM 0 HA ASP A 138 -21.668 8.922 -19.033 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -19.374 9.200 -18.270 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -20.318 10.523 -17.614 1.00 0.00 H new ATOM 2170 N ALA A 139 -22.343 6.558 -17.345 1.00 0.00 N ATOM 2171 CA ALA A 139 -22.247 5.089 -17.116 1.00 0.00 C ATOM 2172 C ALA A 139 -21.483 4.440 -18.271 1.00 0.00 C ATOM 2173 O ALA A 139 -20.446 3.836 -18.081 1.00 0.00 O ATOM 2174 CB ALA A 139 -23.654 4.492 -17.036 1.00 0.00 C ATOM 0 H ALA A 139 -23.256 6.970 -17.151 1.00 0.00 H new ATOM 0 HA ALA A 139 -21.719 4.902 -16.181 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -23.584 3.417 -16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -24.199 4.953 -16.212 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -24.183 4.680 -17.970 1.00 0.00 H new ATOM 2180 N GLN A 140 -21.985 4.562 -19.469 1.00 0.00 N ATOM 2181 CA GLN A 140 -21.287 3.953 -20.636 1.00 0.00 C ATOM 2182 C GLN A 140 -21.473 4.844 -21.865 1.00 0.00 C ATOM 2183 O GLN A 140 -22.448 4.732 -22.582 1.00 0.00 O ATOM 2184 CB GLN A 140 -21.874 2.568 -20.916 1.00 0.00 C ATOM 2185 CG GLN A 140 -21.044 1.505 -20.194 1.00 0.00 C ATOM 2186 CD GLN A 140 -21.764 0.157 -20.267 1.00 0.00 C ATOM 2187 OE1 GLN A 140 -22.444 -0.130 -21.232 1.00 0.00 O ATOM 2188 NE2 GLN A 140 -21.641 -0.689 -19.281 1.00 0.00 N ATOM 0 H GLN A 140 -22.849 5.057 -19.690 1.00 0.00 H new ATOM 0 HA GLN A 140 -20.224 3.859 -20.414 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -22.910 2.526 -20.580 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -21.879 2.374 -21.989 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -20.057 1.427 -20.650 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -20.892 1.792 -19.154 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -21.070 -0.448 -18.471 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -22.116 -1.591 -19.321 1.00 0.00 H new ATOM 2197 N SER A 141 -20.547 5.729 -22.115 1.00 0.00 N ATOM 2198 CA SER A 141 -20.673 6.626 -23.297 1.00 0.00 C ATOM 2199 C SER A 141 -19.282 6.935 -23.854 1.00 0.00 C ATOM 2200 O SER A 141 -19.133 7.680 -24.802 1.00 0.00 O ATOM 2201 CB SER A 141 -21.356 7.929 -22.880 1.00 0.00 C ATOM 2202 OG SER A 141 -21.044 8.946 -23.822 1.00 0.00 O ATOM 0 H SER A 141 -19.709 5.869 -21.551 1.00 0.00 H new ATOM 0 HA SER A 141 -21.270 6.133 -24.064 1.00 0.00 H new ATOM 0 HB2 SER A 141 -22.435 7.786 -22.826 1.00 0.00 H new ATOM 0 HB3 SER A 141 -21.024 8.225 -21.885 1.00 0.00 H new ATOM 0 HG SER A 141 -20.669 8.539 -24.631 1.00 0.00 H new ATOM 2208 N GLU A 142 -18.260 6.369 -23.271 1.00 0.00 N ATOM 2209 CA GLU A 142 -16.880 6.631 -23.766 1.00 0.00 C ATOM 2210 C GLU A 142 -16.506 5.580 -24.813 1.00 0.00 C ATOM 2211 O GLU A 142 -16.637 4.404 -24.516 1.00 0.00 O ATOM 2212 CB GLU A 142 -15.896 6.559 -22.597 1.00 0.00 C ATOM 2213 CG GLU A 142 -16.619 6.918 -21.297 1.00 0.00 C ATOM 2214 CD GLU A 142 -15.601 7.401 -20.262 1.00 0.00 C ATOM 2215 OE1 GLU A 142 -14.858 8.317 -20.575 1.00 0.00 O ATOM 2216 OE2 GLU A 142 -15.582 6.848 -19.176 1.00 0.00 O ATOM 2217 OXT GLU A 142 -16.094 5.969 -25.894 1.00 0.00 O ATOM 0 H GLU A 142 -18.322 5.736 -22.473 1.00 0.00 H new ATOM 0 HA GLU A 142 -16.838 7.623 -24.215 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -15.473 5.557 -22.525 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -15.065 7.244 -22.765 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -17.360 7.695 -21.484 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -17.157 6.050 -20.916 1.00 0.00 H new TER 2224 GLU A 142