USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 933 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 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 SER OG : rot 14:sc= 0.614 USER MOD Set 2.1: A 47 CYS SG : rot -106:sc= -1.01! USER MOD Set 2.2: A 49 HIS : no HD1:sc= -2.99! C(o=-7.2!,f=-14!) USER MOD Set 2.3: A 50 CYS SG : rot -90:sc= -3.21 USER MOD Set 3.1: A 28 ASN : amide:sc= -2.76 K(o=-3.9,f=-5.3!) USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -1.18 F(o=-6.4!,f=-3.9) USER MOD Set 4.1: A 2 SER OG : rot -49:sc= 0.539 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 23 THR OG1 : rot -105:sc= 1.14 USER MOD Set 5.2: A 26 ASN : amide:sc= -1.17! C(o=-0.032!,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 9:sc= 0.405 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 37:sc= 0.939 USER MOD Single : A 13 TYR OH : rot 90:sc= -1.07 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -147:sc= 1.71 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.0239 USER MOD Single : A 51 GLN : amide:sc= -0.0484 K(o=-0.048,f=-0.85) USER MOD Single : A 54 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 65:sc= 0.0304 USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.779 (180deg=-0.0406) USER MOD Single : A 69 LYS NZ :NH3+ 133:sc= -1.1! (180deg=-2.27!) USER MOD Single : A 74 ASN : amide:sc= -7.4! C(o=-7.4!,f=-18!) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -1.14 (180deg=-2.78!) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.49! C(o=-8.5!,f=-6.5!) USER MOD Single : A 79 GLN : amide:sc= -0.0711 K(o=-0.071,f=-1.3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 56:sc= 1.32 USER MOD Single : A 88 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.009) USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.667 USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0.176 (180deg=0.175) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.82 F(o=-4.4!,f=-1.8) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.08) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -11:sc= 0.957 USER MOD Single : A 107 GLN : amide:sc=-0.00433 X(o=-0.0043,f=-0.16) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.740 -0.513 -12.112 1.00 0.00 N ATOM 2 CA GLY A 1 -18.799 0.840 -12.633 1.00 0.00 C ATOM 3 C GLY A 1 -17.627 1.688 -12.180 1.00 0.00 C ATOM 4 O GLY A 1 -17.245 1.655 -11.010 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.563 -1.051 -12.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.867 -0.973 -12.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.748 -0.485 -11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.819 0.806 -13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.729 1.309 -12.312 1.00 0.00 H new ATOM 8 N SER A 2 -17.054 2.448 -13.107 1.00 0.00 N ATOM 9 CA SER A 2 -15.915 3.304 -12.797 1.00 0.00 C ATOM 10 C SER A 2 -16.355 4.755 -12.629 1.00 0.00 C ATOM 11 O SER A 2 -15.716 5.673 -13.143 1.00 0.00 O ATOM 12 CB SER A 2 -14.860 3.204 -13.901 1.00 0.00 C ATOM 13 OG SER A 2 -13.692 3.930 -13.558 1.00 0.00 O ATOM 0 H SER A 2 -17.360 2.489 -14.079 1.00 0.00 H new ATOM 0 HA SER A 2 -15.481 2.963 -11.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.605 2.158 -14.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.269 3.588 -14.835 1.00 0.00 H new ATOM 0 HG SER A 2 -13.942 4.830 -13.261 1.00 0.00 H new ATOM 19 N SER A 3 -17.453 4.954 -11.906 1.00 0.00 N ATOM 20 CA SER A 3 -17.982 6.292 -11.672 1.00 0.00 C ATOM 21 C SER A 3 -16.879 7.241 -11.216 1.00 0.00 C ATOM 22 O SER A 3 -16.342 7.104 -10.117 1.00 0.00 O ATOM 23 CB SER A 3 -19.097 6.247 -10.625 1.00 0.00 C ATOM 24 OG SER A 3 -19.948 7.374 -10.737 1.00 0.00 O ATOM 0 H SER A 3 -17.993 4.205 -11.472 1.00 0.00 H new ATOM 0 HA SER A 3 -18.391 6.663 -12.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.679 5.334 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.661 6.214 -9.626 1.00 0.00 H new ATOM 0 HG SER A 3 -20.653 7.320 -10.058 1.00 0.00 H new ATOM 30 N GLY A 4 -16.544 8.204 -12.069 1.00 0.00 N ATOM 31 CA GLY A 4 -15.506 9.163 -11.736 1.00 0.00 C ATOM 32 C GLY A 4 -15.333 10.224 -12.805 1.00 0.00 C ATOM 33 O GLY A 4 -14.950 9.921 -13.934 1.00 0.00 O ATOM 0 H GLY A 4 -16.973 8.338 -12.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.749 9.643 -10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.562 8.637 -11.594 1.00 0.00 H new ATOM 37 N SER A 5 -15.618 11.472 -12.448 1.00 0.00 N ATOM 38 CA SER A 5 -15.497 12.582 -13.387 1.00 0.00 C ATOM 39 C SER A 5 -15.198 13.885 -12.652 1.00 0.00 C ATOM 40 O SER A 5 -15.416 13.994 -11.445 1.00 0.00 O ATOM 41 CB SER A 5 -16.781 12.728 -14.205 1.00 0.00 C ATOM 42 OG SER A 5 -16.884 11.704 -15.180 1.00 0.00 O ATOM 0 H SER A 5 -15.934 11.740 -11.516 1.00 0.00 H new ATOM 0 HA SER A 5 -14.668 12.367 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.645 12.691 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.796 13.702 -14.693 1.00 0.00 H new ATOM 0 HG SER A 5 -16.185 11.035 -15.027 1.00 0.00 H new ATOM 48 N SER A 6 -14.698 14.872 -13.389 1.00 0.00 N ATOM 49 CA SER A 6 -14.365 16.167 -12.807 1.00 0.00 C ATOM 50 C SER A 6 -13.472 15.999 -11.582 1.00 0.00 C ATOM 51 O SER A 6 -13.661 16.667 -10.566 1.00 0.00 O ATOM 52 CB SER A 6 -15.641 16.920 -12.424 1.00 0.00 C ATOM 53 OG SER A 6 -16.248 17.507 -13.562 1.00 0.00 O ATOM 0 H SER A 6 -14.515 14.800 -14.390 1.00 0.00 H new ATOM 0 HA SER A 6 -13.821 16.745 -13.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.342 16.235 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.405 17.694 -11.694 1.00 0.00 H new ATOM 0 HG SER A 6 -17.062 17.981 -13.291 1.00 0.00 H new ATOM 59 N GLY A 7 -12.497 15.101 -11.686 1.00 0.00 N ATOM 60 CA GLY A 7 -11.589 14.860 -10.580 1.00 0.00 C ATOM 61 C GLY A 7 -10.134 14.990 -10.986 1.00 0.00 C ATOM 62 O GLY A 7 -9.821 15.594 -12.011 1.00 0.00 O ATOM 0 H GLY A 7 -12.320 14.536 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.804 15.566 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.764 13.861 -10.181 1.00 0.00 H new ATOM 66 N ALA A 8 -9.244 14.423 -10.179 1.00 0.00 N ATOM 67 CA ALA A 8 -7.815 14.478 -10.459 1.00 0.00 C ATOM 68 C ALA A 8 -7.413 13.412 -11.473 1.00 0.00 C ATOM 69 O ALA A 8 -8.219 12.560 -11.845 1.00 0.00 O ATOM 70 CB ALA A 8 -7.017 14.314 -9.174 1.00 0.00 C ATOM 0 H ALA A 8 -9.488 13.920 -9.326 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.592 15.455 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.951 14.357 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.274 15.115 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.253 13.352 -8.719 1.00 0.00 H new ATOM 76 N VAL A 9 -6.161 13.466 -11.917 1.00 0.00 N ATOM 77 CA VAL A 9 -5.652 12.504 -12.887 1.00 0.00 C ATOM 78 C VAL A 9 -4.464 11.732 -12.324 1.00 0.00 C ATOM 79 O VAL A 9 -4.235 10.577 -12.684 1.00 0.00 O ATOM 80 CB VAL A 9 -5.225 13.199 -14.194 1.00 0.00 C ATOM 81 CG1 VAL A 9 -3.961 14.016 -13.978 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.024 12.173 -15.300 1.00 0.00 C ATOM 0 H VAL A 9 -5.481 14.166 -11.620 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.464 11.810 -13.101 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.020 13.880 -14.499 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.676 14.499 -14.913 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.144 14.776 -13.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.156 13.360 -13.648 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.723 12.680 -16.216 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.248 11.467 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.957 11.636 -15.472 1.00 0.00 H new ATOM 92 N SER A 10 -3.711 12.377 -11.439 1.00 0.00 N ATOM 93 CA SER A 10 -2.544 11.751 -10.828 1.00 0.00 C ATOM 94 C SER A 10 -2.110 12.514 -9.580 1.00 0.00 C ATOM 95 O SER A 10 -2.292 13.727 -9.485 1.00 0.00 O ATOM 96 CB SER A 10 -1.389 11.690 -11.829 1.00 0.00 C ATOM 97 OG SER A 10 -1.455 10.510 -12.612 1.00 0.00 O ATOM 0 H SER A 10 -3.888 13.333 -11.129 1.00 0.00 H new ATOM 0 HA SER A 10 -2.817 10.737 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.421 12.564 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.439 11.724 -11.296 1.00 0.00 H new ATOM 0 HG SER A 10 -2.392 10.299 -12.808 1.00 0.00 H new ATOM 103 N GLY A 11 -1.535 11.792 -8.623 1.00 0.00 N ATOM 104 CA GLY A 11 -1.083 12.416 -7.393 1.00 0.00 C ATOM 105 C GLY A 11 0.410 12.679 -7.390 1.00 0.00 C ATOM 106 O GLY A 11 0.902 13.517 -8.147 1.00 0.00 O ATOM 0 H GLY A 11 -1.374 10.786 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.615 13.357 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.337 11.775 -6.549 1.00 0.00 H new ATOM 110 N LEU A 12 1.133 11.963 -6.536 1.00 0.00 N ATOM 111 CA LEU A 12 2.579 12.124 -6.436 1.00 0.00 C ATOM 112 C LEU A 12 3.300 11.169 -7.382 1.00 0.00 C ATOM 113 O LEU A 12 4.288 11.536 -8.017 1.00 0.00 O ATOM 114 CB LEU A 12 3.041 11.881 -4.998 1.00 0.00 C ATOM 115 CG LEU A 12 2.296 12.660 -3.913 1.00 0.00 C ATOM 116 CD1 LEU A 12 2.672 12.145 -2.532 1.00 0.00 C ATOM 117 CD2 LEU A 12 2.592 14.148 -4.027 1.00 0.00 C ATOM 0 H LEU A 12 0.742 11.266 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 12 2.827 13.146 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.947 10.817 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.101 12.127 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 12 1.226 12.510 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.132 12.711 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.409 11.090 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.745 12.264 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.054 14.687 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.663 14.316 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.272 14.509 -5.004 1.00 0.00 H new ATOM 129 N TYR A 13 2.798 9.942 -7.471 1.00 0.00 N ATOM 130 CA TYR A 13 3.394 8.934 -8.339 1.00 0.00 C ATOM 131 C TYR A 13 2.897 9.088 -9.774 1.00 0.00 C ATOM 132 O TYR A 13 1.733 9.411 -10.008 1.00 0.00 O ATOM 133 CB TYR A 13 3.070 7.531 -7.824 1.00 0.00 C ATOM 134 CG TYR A 13 3.631 7.246 -6.449 1.00 0.00 C ATOM 135 CD1 TYR A 13 3.097 7.854 -5.319 1.00 0.00 C ATOM 136 CD2 TYR A 13 4.695 6.369 -6.280 1.00 0.00 C ATOM 137 CE1 TYR A 13 3.607 7.597 -4.061 1.00 0.00 C ATOM 138 CE2 TYR A 13 5.211 6.106 -5.025 1.00 0.00 C ATOM 139 CZ TYR A 13 4.664 6.722 -3.920 1.00 0.00 C ATOM 140 OH TYR A 13 5.174 6.463 -2.668 1.00 0.00 O ATOM 0 H TYR A 13 1.980 9.622 -6.953 1.00 0.00 H new ATOM 0 HA TYR A 13 4.475 9.077 -8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.988 7.403 -7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.462 6.796 -8.527 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.269 8.539 -5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.126 5.885 -7.144 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.181 8.078 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.038 5.421 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 13 4.701 5.701 -2.273 1.00 0.00 H new ATOM 150 N SER A 14 3.790 8.854 -10.730 1.00 0.00 N ATOM 151 CA SER A 14 3.445 8.969 -12.142 1.00 0.00 C ATOM 152 C SER A 14 3.548 7.615 -12.839 1.00 0.00 C ATOM 153 O SER A 14 4.512 6.876 -12.643 1.00 0.00 O ATOM 154 CB SER A 14 4.362 9.981 -12.832 1.00 0.00 C ATOM 155 OG SER A 14 5.606 9.393 -13.174 1.00 0.00 O ATOM 0 H SER A 14 4.757 8.584 -10.553 1.00 0.00 H new ATOM 0 HA SER A 14 2.414 9.316 -12.211 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.877 10.362 -13.731 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.528 10.834 -12.174 1.00 0.00 H new ATOM 0 HG SER A 14 6.173 10.060 -13.615 1.00 0.00 H new ATOM 161 N SER A 15 2.547 7.299 -13.653 1.00 0.00 N ATOM 162 CA SER A 15 2.521 6.033 -14.377 1.00 0.00 C ATOM 163 C SER A 15 3.928 5.619 -14.798 1.00 0.00 C ATOM 164 O SER A 15 4.240 4.431 -14.876 1.00 0.00 O ATOM 165 CB SER A 15 1.619 6.143 -15.608 1.00 0.00 C ATOM 166 OG SER A 15 1.549 4.909 -16.301 1.00 0.00 O ATOM 0 H SER A 15 1.743 7.902 -13.828 1.00 0.00 H new ATOM 0 HA SER A 15 2.121 5.269 -13.710 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.618 6.450 -15.303 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.001 6.917 -16.274 1.00 0.00 H new ATOM 0 HG SER A 15 0.965 5.005 -17.082 1.00 0.00 H new ATOM 172 N SER A 16 4.772 6.609 -15.070 1.00 0.00 N ATOM 173 CA SER A 16 6.145 6.350 -15.488 1.00 0.00 C ATOM 174 C SER A 16 6.848 5.424 -14.499 1.00 0.00 C ATOM 175 O SER A 16 7.428 4.410 -14.887 1.00 0.00 O ATOM 176 CB SER A 16 6.919 7.664 -15.613 1.00 0.00 C ATOM 177 OG SER A 16 8.060 7.506 -16.439 1.00 0.00 O ATOM 0 H SER A 16 4.529 7.598 -15.008 1.00 0.00 H new ATOM 0 HA SER A 16 6.117 5.860 -16.461 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.269 8.435 -16.028 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.226 8.005 -14.624 1.00 0.00 H new ATOM 0 HG SER A 16 8.537 8.360 -16.505 1.00 0.00 H new ATOM 183 N ASP A 17 6.790 5.781 -13.221 1.00 0.00 N ATOM 184 CA ASP A 17 7.420 4.983 -12.175 1.00 0.00 C ATOM 185 C ASP A 17 6.933 3.539 -12.227 1.00 0.00 C ATOM 186 O ASP A 17 5.933 3.233 -12.876 1.00 0.00 O ATOM 187 CB ASP A 17 7.128 5.585 -10.800 1.00 0.00 C ATOM 188 CG ASP A 17 5.647 5.815 -10.572 1.00 0.00 C ATOM 189 OD1 ASP A 17 4.856 4.881 -10.818 1.00 0.00 O ATOM 190 OD2 ASP A 17 5.279 6.930 -10.146 1.00 0.00 O ATOM 0 H ASP A 17 6.313 6.617 -12.884 1.00 0.00 H new ATOM 0 HA ASP A 17 8.497 4.990 -12.344 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.513 4.921 -10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.659 6.532 -10.701 1.00 0.00 H new ATOM 195 N ASP A 18 7.647 2.654 -11.539 1.00 0.00 N ATOM 196 CA ASP A 18 7.288 1.241 -11.506 1.00 0.00 C ATOM 197 C ASP A 18 6.105 1.003 -10.573 1.00 0.00 C ATOM 198 O ASP A 18 5.605 -0.116 -10.461 1.00 0.00 O ATOM 199 CB ASP A 18 8.484 0.399 -11.060 1.00 0.00 C ATOM 200 CG ASP A 18 9.676 0.550 -11.984 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.104 1.700 -12.216 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.180 -0.481 -12.476 1.00 0.00 O ATOM 0 H ASP A 18 8.478 2.891 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 18 6.999 0.941 -12.513 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.772 0.689 -10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.191 -0.650 -11.019 1.00 0.00 H new ATOM 207 N VAL A 19 5.663 2.063 -9.904 1.00 0.00 N ATOM 208 CA VAL A 19 4.539 1.969 -8.980 1.00 0.00 C ATOM 209 C VAL A 19 3.213 1.917 -9.730 1.00 0.00 C ATOM 210 O VAL A 19 2.939 2.760 -10.585 1.00 0.00 O ATOM 211 CB VAL A 19 4.516 3.159 -8.002 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.232 3.155 -7.186 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.735 3.124 -7.092 1.00 0.00 C ATOM 0 H VAL A 19 6.066 2.997 -9.985 1.00 0.00 H new ATOM 0 HA VAL A 19 4.670 1.046 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 19 4.548 4.083 -8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.234 4.003 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.375 3.231 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.166 2.228 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.703 3.972 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.736 2.196 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.641 3.179 -7.695 1.00 0.00 H new ATOM 223 N ILE A 20 2.394 0.923 -9.405 1.00 0.00 N ATOM 224 CA ILE A 20 1.096 0.761 -10.048 1.00 0.00 C ATOM 225 C ILE A 20 0.036 1.622 -9.369 1.00 0.00 C ATOM 226 O ILE A 20 -0.244 1.457 -8.182 1.00 0.00 O ATOM 227 CB ILE A 20 0.637 -0.709 -10.030 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.618 -1.582 -10.814 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.766 -0.833 -10.604 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.432 -3.064 -10.576 1.00 0.00 C ATOM 0 H ILE A 20 2.606 0.217 -8.700 1.00 0.00 H new ATOM 0 HA ILE A 20 1.214 1.082 -11.083 1.00 0.00 H new ATOM 0 HB ILE A 20 0.618 -1.055 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.504 -1.376 -11.878 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.636 -1.304 -10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.076 -1.878 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.457 -0.238 -10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.772 -0.472 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.161 -3.621 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.575 -3.283 -9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.425 -3.357 -10.874 1.00 0.00 H new ATOM 242 N GLU A 21 -0.552 2.539 -10.131 1.00 0.00 N ATOM 243 CA GLU A 21 -1.582 3.424 -9.602 1.00 0.00 C ATOM 244 C GLU A 21 -2.838 2.639 -9.234 1.00 0.00 C ATOM 245 O GLU A 21 -3.713 2.417 -10.073 1.00 0.00 O ATOM 246 CB GLU A 21 -1.927 4.510 -10.624 1.00 0.00 C ATOM 247 CG GLU A 21 -2.680 5.689 -10.029 1.00 0.00 C ATOM 248 CD GLU A 21 -1.753 6.783 -9.537 1.00 0.00 C ATOM 249 OE1 GLU A 21 -0.631 6.456 -9.096 1.00 0.00 O ATOM 250 OE2 GLU A 21 -2.150 7.966 -9.591 1.00 0.00 O ATOM 0 H GLU A 21 -0.333 2.688 -11.116 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.192 3.895 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.006 4.872 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.528 4.070 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.356 6.100 -10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.297 5.341 -9.201 1.00 0.00 H new ATOM 257 N LEU A 22 -2.920 2.221 -7.976 1.00 0.00 N ATOM 258 CA LEU A 22 -4.068 1.460 -7.496 1.00 0.00 C ATOM 259 C LEU A 22 -5.261 2.376 -7.240 1.00 0.00 C ATOM 260 O LEU A 22 -5.120 3.448 -6.649 1.00 0.00 O ATOM 261 CB LEU A 22 -3.706 0.707 -6.215 1.00 0.00 C ATOM 262 CG LEU A 22 -2.806 -0.517 -6.388 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.483 -1.138 -5.037 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.465 -1.539 -7.303 1.00 0.00 C ATOM 0 H LEU A 22 -2.205 2.396 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.344 0.741 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.213 1.402 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.629 0.389 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.872 -0.195 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.842 -2.008 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.969 -0.406 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.407 -1.445 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.810 -2.403 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.414 -1.856 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.644 -1.091 -8.280 1.00 0.00 H new ATOM 276 N THR A 23 -6.437 1.947 -7.688 1.00 0.00 N ATOM 277 CA THR A 23 -7.654 2.728 -7.507 1.00 0.00 C ATOM 278 C THR A 23 -8.788 1.862 -6.970 1.00 0.00 C ATOM 279 O THR A 23 -8.757 0.634 -7.055 1.00 0.00 O ATOM 280 CB THR A 23 -8.104 3.380 -8.828 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.054 2.539 -9.492 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.914 3.630 -9.741 1.00 0.00 C ATOM 0 H THR A 23 -6.572 1.063 -8.179 1.00 0.00 H new ATOM 0 HA THR A 23 -7.423 3.510 -6.784 1.00 0.00 H new ATOM 0 HB THR A 23 -8.569 4.338 -8.594 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.621 2.090 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.257 4.091 -10.667 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.208 4.295 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.423 2.683 -9.967 1.00 0.00 H new ATOM 290 N PRO A 24 -9.814 2.513 -6.402 1.00 0.00 N ATOM 291 CA PRO A 24 -10.978 1.821 -5.841 1.00 0.00 C ATOM 292 C PRO A 24 -11.850 1.186 -6.918 1.00 0.00 C ATOM 293 O PRO A 24 -13.011 0.858 -6.676 1.00 0.00 O ATOM 294 CB PRO A 24 -11.742 2.937 -5.124 1.00 0.00 C ATOM 295 CG PRO A 24 -11.340 4.186 -5.831 1.00 0.00 C ATOM 296 CD PRO A 24 -9.917 3.976 -6.266 1.00 0.00 C ATOM 0 HA PRO A 24 -10.687 0.997 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.819 2.779 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.481 2.979 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.986 4.374 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.423 5.051 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.706 4.483 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.211 4.362 -5.531 1.00 0.00 H new ATOM 304 N SER A 25 -11.282 1.014 -8.108 1.00 0.00 N ATOM 305 CA SER A 25 -12.009 0.421 -9.223 1.00 0.00 C ATOM 306 C SER A 25 -11.281 -0.811 -9.753 1.00 0.00 C ATOM 307 O SER A 25 -11.881 -1.672 -10.395 1.00 0.00 O ATOM 308 CB SER A 25 -12.187 1.444 -10.346 1.00 0.00 C ATOM 309 OG SER A 25 -13.392 2.172 -10.187 1.00 0.00 O ATOM 0 H SER A 25 -10.320 1.277 -8.324 1.00 0.00 H new ATOM 0 HA SER A 25 -12.991 0.114 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.341 2.132 -10.353 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.191 0.934 -11.309 1.00 0.00 H new ATOM 0 HG SER A 25 -13.481 2.820 -10.916 1.00 0.00 H new ATOM 315 N ASN A 26 -9.983 -0.887 -9.478 1.00 0.00 N ATOM 316 CA ASN A 26 -9.171 -2.012 -9.927 1.00 0.00 C ATOM 317 C ASN A 26 -8.431 -2.650 -8.755 1.00 0.00 C ATOM 318 O ASN A 26 -7.909 -3.760 -8.867 1.00 0.00 O ATOM 319 CB ASN A 26 -8.169 -1.554 -10.989 1.00 0.00 C ATOM 320 CG ASN A 26 -7.715 -0.123 -10.775 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.426 0.823 -11.115 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.525 0.042 -10.210 1.00 0.00 N ATOM 0 H ASN A 26 -9.471 -0.183 -8.946 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.836 -2.757 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.301 -2.214 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.623 -1.645 -11.976 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.166 0.982 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.970 -0.771 -9.944 1.00 0.00 H new ATOM 329 N PHE A 27 -8.392 -1.942 -7.631 1.00 0.00 N ATOM 330 CA PHE A 27 -7.716 -2.439 -6.439 1.00 0.00 C ATOM 331 C PHE A 27 -7.975 -3.931 -6.248 1.00 0.00 C ATOM 332 O PHE A 27 -7.157 -4.645 -5.670 1.00 0.00 O ATOM 333 CB PHE A 27 -8.183 -1.667 -5.203 1.00 0.00 C ATOM 334 CG PHE A 27 -7.387 -1.975 -3.967 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.460 -3.226 -3.374 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.567 -1.015 -3.397 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.728 -3.513 -2.237 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.833 -1.296 -2.261 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.915 -2.546 -1.679 1.00 0.00 C ATOM 0 H PHE A 27 -8.820 -1.023 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.645 -2.288 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.122 -0.598 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.232 -1.896 -5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.096 -3.985 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.501 -0.035 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.792 -4.492 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.196 -0.539 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.344 -2.767 -0.789 1.00 0.00 H new ATOM 349 N ASN A 28 -9.121 -4.393 -6.738 1.00 0.00 N ATOM 350 CA ASN A 28 -9.490 -5.800 -6.621 1.00 0.00 C ATOM 351 C ASN A 28 -8.946 -6.604 -7.797 1.00 0.00 C ATOM 352 O ASN A 28 -8.463 -7.724 -7.627 1.00 0.00 O ATOM 353 CB ASN A 28 -11.011 -5.945 -6.548 1.00 0.00 C ATOM 354 CG ASN A 28 -11.441 -7.358 -6.206 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.784 -7.655 -5.062 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.424 -8.239 -7.200 1.00 0.00 N ATOM 0 H ASN A 28 -9.810 -3.815 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.051 -6.191 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.403 -5.257 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.447 -5.657 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.703 -9.205 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.132 -7.949 -8.133 1.00 0.00 H new ATOM 363 N ARG A 29 -9.029 -6.026 -8.991 1.00 0.00 N ATOM 364 CA ARG A 29 -8.546 -6.689 -10.196 1.00 0.00 C ATOM 365 C ARG A 29 -7.029 -6.572 -10.311 1.00 0.00 C ATOM 366 O ARG A 29 -6.418 -7.159 -11.203 1.00 0.00 O ATOM 367 CB ARG A 29 -9.210 -6.087 -11.436 1.00 0.00 C ATOM 368 CG ARG A 29 -10.524 -6.755 -11.808 1.00 0.00 C ATOM 369 CD ARG A 29 -11.664 -6.274 -10.923 1.00 0.00 C ATOM 370 NE ARG A 29 -12.129 -4.943 -11.305 1.00 0.00 N ATOM 371 CZ ARG A 29 -13.314 -4.453 -10.961 1.00 0.00 C ATOM 372 NH1 ARG A 29 -14.150 -5.180 -10.232 1.00 0.00 N ATOM 373 NH2 ARG A 29 -13.666 -3.233 -11.346 1.00 0.00 N ATOM 0 H ARG A 29 -9.426 -5.100 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.807 -7.745 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.388 -5.026 -11.263 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.523 -6.162 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.758 -6.544 -12.851 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.422 -7.836 -11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.493 -6.979 -10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.335 -6.259 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.510 -4.358 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.883 -6.118 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.060 -4.801 -9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.026 -2.671 -11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.577 -2.858 -11.081 1.00 0.00 H new ATOM 387 N GLU A 30 -6.429 -5.809 -9.402 1.00 0.00 N ATOM 388 CA GLU A 30 -4.984 -5.615 -9.403 1.00 0.00 C ATOM 389 C GLU A 30 -4.333 -6.371 -8.249 1.00 0.00 C ATOM 390 O GLU A 30 -3.370 -7.113 -8.443 1.00 0.00 O ATOM 391 CB GLU A 30 -4.648 -4.125 -9.306 1.00 0.00 C ATOM 392 CG GLU A 30 -4.596 -3.424 -10.653 1.00 0.00 C ATOM 393 CD GLU A 30 -3.304 -3.691 -11.400 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.892 -4.868 -11.470 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.704 -2.724 -11.914 1.00 0.00 O ATOM 0 H GLU A 30 -6.921 -5.316 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.590 -6.009 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.392 -3.634 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.685 -4.010 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.438 -3.753 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.710 -2.350 -10.504 1.00 0.00 H new ATOM 402 N VAL A 31 -4.864 -6.175 -7.046 1.00 0.00 N ATOM 403 CA VAL A 31 -4.336 -6.838 -5.860 1.00 0.00 C ATOM 404 C VAL A 31 -5.149 -8.081 -5.517 1.00 0.00 C ATOM 405 O VAL A 31 -4.642 -9.202 -5.572 1.00 0.00 O ATOM 406 CB VAL A 31 -4.327 -5.892 -4.645 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.778 -6.603 -3.418 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.519 -4.639 -4.952 1.00 0.00 C ATOM 0 H VAL A 31 -5.660 -5.562 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.312 -7.130 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.353 -5.592 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.779 -5.918 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.402 -7.467 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.758 -6.934 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.523 -3.981 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.493 -4.917 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.962 -4.120 -5.802 1.00 0.00 H new ATOM 418 N ILE A 32 -6.413 -7.874 -5.162 1.00 0.00 N ATOM 419 CA ILE A 32 -7.298 -8.979 -4.811 1.00 0.00 C ATOM 420 C ILE A 32 -7.256 -10.075 -5.871 1.00 0.00 C ATOM 421 O ILE A 32 -7.376 -11.259 -5.557 1.00 0.00 O ATOM 422 CB ILE A 32 -8.752 -8.502 -4.640 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.819 -7.349 -3.637 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.638 -9.654 -4.190 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.371 -7.733 -2.244 1.00 0.00 C ATOM 0 H ILE A 32 -6.847 -6.952 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.941 -9.380 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.116 -8.143 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.198 -6.529 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.843 -6.977 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.663 -9.301 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.610 -10.448 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.277 -10.040 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.445 -6.867 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.008 -8.532 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.337 -8.077 -2.276 1.00 0.00 H new ATOM 437 N GLN A 33 -7.082 -9.672 -7.125 1.00 0.00 N ATOM 438 CA GLN A 33 -7.022 -10.620 -8.231 1.00 0.00 C ATOM 439 C GLN A 33 -5.577 -10.951 -8.587 1.00 0.00 C ATOM 440 O GLN A 33 -5.263 -11.240 -9.742 1.00 0.00 O ATOM 441 CB GLN A 33 -7.746 -10.056 -9.454 1.00 0.00 C ATOM 442 CG GLN A 33 -9.260 -10.050 -9.317 1.00 0.00 C ATOM 443 CD GLN A 33 -9.768 -11.159 -8.417 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.005 -10.833 -7.152 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.947 -12.297 -8.854 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.980 -8.695 -7.401 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.518 -11.538 -7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.402 -9.037 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.471 -10.643 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.581 -9.088 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.711 -10.153 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.752 -12.504 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.290 -13.032 -8.236 1.00 0.00 H new ATOM 454 N SER A 34 -4.701 -10.905 -7.589 1.00 0.00 N ATOM 455 CA SER A 34 -3.287 -11.195 -7.798 1.00 0.00 C ATOM 456 C SER A 34 -2.786 -12.217 -6.782 1.00 0.00 C ATOM 457 O SER A 34 -2.464 -11.873 -5.645 1.00 0.00 O ATOM 458 CB SER A 34 -2.461 -9.912 -7.697 1.00 0.00 C ATOM 459 OG SER A 34 -1.080 -10.179 -7.869 1.00 0.00 O ATOM 0 H SER A 34 -4.945 -10.670 -6.627 1.00 0.00 H new ATOM 0 HA SER A 34 -3.172 -11.615 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.794 -9.201 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.626 -9.445 -6.726 1.00 0.00 H new ATOM 0 HG SER A 34 -0.556 -9.559 -7.320 1.00 0.00 H new ATOM 465 N ASP A 35 -2.724 -13.476 -7.201 1.00 0.00 N ATOM 466 CA ASP A 35 -2.261 -14.550 -6.330 1.00 0.00 C ATOM 467 C ASP A 35 -0.931 -14.187 -5.678 1.00 0.00 C ATOM 468 O ASP A 35 -0.635 -14.617 -4.565 1.00 0.00 O ATOM 469 CB ASP A 35 -2.117 -15.852 -7.121 1.00 0.00 C ATOM 470 CG ASP A 35 -0.841 -15.894 -7.937 1.00 0.00 C ATOM 471 OD1 ASP A 35 0.219 -16.225 -7.365 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.902 -15.599 -9.149 1.00 0.00 O ATOM 0 H ASP A 35 -2.989 -13.778 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.003 -14.692 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.132 -16.696 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.974 -15.967 -7.785 1.00 0.00 H new ATOM 477 N GLY A 36 -0.131 -13.391 -6.382 1.00 0.00 N ATOM 478 CA GLY A 36 1.160 -12.984 -5.857 1.00 0.00 C ATOM 479 C GLY A 36 1.037 -11.949 -4.756 1.00 0.00 C ATOM 480 O GLY A 36 -0.069 -11.558 -4.382 1.00 0.00 O ATOM 0 H GLY A 36 -0.354 -13.021 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.685 -13.859 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.767 -12.579 -6.667 1.00 0.00 H new ATOM 484 N LEU A 37 2.175 -11.505 -4.235 1.00 0.00 N ATOM 485 CA LEU A 37 2.191 -10.510 -3.169 1.00 0.00 C ATOM 486 C LEU A 37 1.930 -9.113 -3.724 1.00 0.00 C ATOM 487 O LEU A 37 2.270 -8.816 -4.869 1.00 0.00 O ATOM 488 CB LEU A 37 3.535 -10.538 -2.438 1.00 0.00 C ATOM 489 CG LEU A 37 3.511 -10.102 -0.973 1.00 0.00 C ATOM 490 CD1 LEU A 37 2.990 -11.226 -0.090 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.899 -9.668 -0.523 1.00 0.00 C ATOM 0 H LEU A 37 3.099 -11.818 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 37 1.396 -10.755 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.932 -11.552 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.232 -9.896 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 37 2.837 -9.251 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.980 -10.897 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.978 -11.490 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.638 -12.097 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.863 -9.361 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.594 -10.500 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.235 -8.831 -1.136 1.00 0.00 H new ATOM 503 N TRP A 38 1.328 -8.260 -2.904 1.00 0.00 N ATOM 504 CA TRP A 38 1.024 -6.893 -3.312 1.00 0.00 C ATOM 505 C TRP A 38 1.304 -5.911 -2.179 1.00 0.00 C ATOM 506 O TRP A 38 0.763 -6.045 -1.081 1.00 0.00 O ATOM 507 CB TRP A 38 -0.438 -6.783 -3.749 1.00 0.00 C ATOM 508 CG TRP A 38 -0.615 -6.791 -5.238 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.873 -7.875 -6.027 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.545 -5.661 -6.115 1.00 0.00 C ATOM 511 NE1 TRP A 38 -0.967 -7.488 -7.342 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.771 -6.135 -7.422 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.315 -4.296 -5.923 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.772 -5.290 -8.529 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.317 -3.460 -7.023 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.545 -3.959 -8.312 1.00 0.00 C ATOM 0 H TRP A 38 1.041 -8.490 -1.953 1.00 0.00 H new ATOM 0 HA TRP A 38 1.668 -6.640 -4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.002 -7.611 -3.319 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.863 -5.864 -3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.987 -8.888 -5.670 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.153 -8.108 -8.131 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.139 -3.902 -4.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.946 -5.672 -9.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.140 -2.403 -6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.541 -3.279 -9.151 1.00 0.00 H new ATOM 527 N LEU A 39 2.151 -4.925 -2.453 1.00 0.00 N ATOM 528 CA LEU A 39 2.502 -3.920 -1.456 1.00 0.00 C ATOM 529 C LEU A 39 1.778 -2.605 -1.729 1.00 0.00 C ATOM 530 O LEU A 39 2.173 -1.838 -2.607 1.00 0.00 O ATOM 531 CB LEU A 39 4.014 -3.690 -1.446 1.00 0.00 C ATOM 532 CG LEU A 39 4.825 -4.592 -0.515 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.300 -4.551 -0.882 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.623 -4.179 0.936 1.00 0.00 C ATOM 0 H LEU A 39 2.607 -4.800 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 39 2.190 -4.289 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.388 -3.821 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.202 -2.653 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 39 4.471 -5.616 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.861 -5.199 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.429 -4.895 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.669 -3.529 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.207 -4.831 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.949 -3.148 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.567 -4.262 1.194 1.00 0.00 H new ATOM 546 N VAL A 40 0.717 -2.351 -0.970 1.00 0.00 N ATOM 547 CA VAL A 40 -0.061 -1.128 -1.128 1.00 0.00 C ATOM 548 C VAL A 40 0.301 -0.105 -0.057 1.00 0.00 C ATOM 549 O VAL A 40 0.175 -0.371 1.138 1.00 0.00 O ATOM 550 CB VAL A 40 -1.573 -1.412 -1.060 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.366 -0.121 -1.193 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.977 -2.408 -2.137 1.00 0.00 C ATOM 0 H VAL A 40 0.376 -2.976 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 40 0.181 -0.723 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.799 -1.850 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.432 -0.342 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.097 0.556 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.138 0.349 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.049 -2.597 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.738 -1.999 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.435 -3.342 -1.991 1.00 0.00 H new ATOM 562 N GLU A 41 0.751 1.067 -0.494 1.00 0.00 N ATOM 563 CA GLU A 41 1.132 2.131 0.428 1.00 0.00 C ATOM 564 C GLU A 41 0.176 3.314 0.317 1.00 0.00 C ATOM 565 O GLU A 41 0.010 3.895 -0.756 1.00 0.00 O ATOM 566 CB GLU A 41 2.564 2.590 0.147 1.00 0.00 C ATOM 567 CG GLU A 41 2.913 3.923 0.790 1.00 0.00 C ATOM 568 CD GLU A 41 4.399 4.221 0.745 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.186 3.389 1.242 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.774 5.286 0.213 1.00 0.00 O ATOM 0 H GLU A 41 0.861 1.304 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 41 1.077 1.736 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.258 1.830 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.707 2.667 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.371 4.720 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.578 3.921 1.827 1.00 0.00 H new ATOM 577 N PHE A 42 -0.452 3.666 1.434 1.00 0.00 N ATOM 578 CA PHE A 42 -1.394 4.779 1.464 1.00 0.00 C ATOM 579 C PHE A 42 -0.681 6.085 1.804 1.00 0.00 C ATOM 580 O PHE A 42 -0.374 6.353 2.966 1.00 0.00 O ATOM 581 CB PHE A 42 -2.503 4.510 2.483 1.00 0.00 C ATOM 582 CG PHE A 42 -3.321 3.290 2.171 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.827 2.022 2.436 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.583 3.410 1.612 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.577 0.897 2.150 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.337 2.288 1.324 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.834 1.031 1.592 1.00 0.00 C ATOM 0 H PHE A 42 -0.326 3.196 2.331 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.837 4.874 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.057 4.396 3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.162 5.377 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.845 1.912 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.982 4.391 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.181 -0.085 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.320 2.395 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.422 0.154 1.366 1.00 0.00 H new ATOM 597 N TYR A 43 -0.421 6.893 0.783 1.00 0.00 N ATOM 598 CA TYR A 43 0.258 8.170 0.971 1.00 0.00 C ATOM 599 C TYR A 43 -0.712 9.334 0.795 1.00 0.00 C ATOM 600 O TYR A 43 -1.873 9.140 0.436 1.00 0.00 O ATOM 601 CB TYR A 43 1.419 8.305 -0.015 1.00 0.00 C ATOM 602 CG TYR A 43 0.977 8.555 -1.440 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.497 9.799 -1.831 1.00 0.00 C ATOM 604 CD2 TYR A 43 1.038 7.547 -2.394 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.092 10.032 -3.131 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.636 7.771 -3.696 1.00 0.00 C ATOM 607 CZ TYR A 43 0.164 9.015 -4.060 1.00 0.00 C ATOM 608 OH TYR A 43 -0.239 9.242 -5.356 1.00 0.00 O ATOM 0 H TYR A 43 -0.670 6.687 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 43 0.649 8.198 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.064 9.123 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.019 7.396 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.440 10.597 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.406 6.571 -2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.279 11.005 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.691 6.976 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.123 8.424 -5.883 1.00 0.00 H new ATOM 618 N ALA A 44 -0.226 10.544 1.049 1.00 0.00 N ATOM 619 CA ALA A 44 -1.048 11.741 0.917 1.00 0.00 C ATOM 620 C ALA A 44 -0.299 12.842 0.173 1.00 0.00 C ATOM 621 O ALA A 44 0.776 13.281 0.583 1.00 0.00 O ATOM 622 CB ALA A 44 -1.489 12.234 2.287 1.00 0.00 C ATOM 0 H ALA A 44 0.733 10.722 1.347 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.932 11.481 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.102 13.128 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.070 11.457 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.611 12.471 2.888 1.00 0.00 H new ATOM 628 N PRO A 45 -0.876 13.298 -0.948 1.00 0.00 N ATOM 629 CA PRO A 45 -0.280 14.353 -1.773 1.00 0.00 C ATOM 630 C PRO A 45 -0.312 15.714 -1.086 1.00 0.00 C ATOM 631 O PRO A 45 0.045 16.729 -1.683 1.00 0.00 O ATOM 632 CB PRO A 45 -1.161 14.365 -3.025 1.00 0.00 C ATOM 633 CG PRO A 45 -2.472 13.824 -2.571 1.00 0.00 C ATOM 634 CD PRO A 45 -2.156 12.820 -1.497 1.00 0.00 C ATOM 0 HA PRO A 45 0.774 14.163 -1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.266 15.373 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.732 13.751 -3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.110 14.619 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.008 13.356 -3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.934 12.790 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.068 11.812 -1.903 1.00 0.00 H new ATOM 642 N TRP A 46 -0.740 15.726 0.171 1.00 0.00 N ATOM 643 CA TRP A 46 -0.818 16.964 0.939 1.00 0.00 C ATOM 644 C TRP A 46 0.085 16.900 2.166 1.00 0.00 C ATOM 645 O TRP A 46 0.439 17.930 2.741 1.00 0.00 O ATOM 646 CB TRP A 46 -2.262 17.233 1.366 1.00 0.00 C ATOM 647 CG TRP A 46 -2.863 16.117 2.166 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.835 15.248 1.759 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.533 15.752 3.510 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.129 14.365 2.769 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.343 14.652 3.854 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.630 16.245 4.456 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.277 14.040 5.103 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.566 15.637 5.695 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.384 14.544 6.010 1.00 0.00 C ATOM 0 H TRP A 46 -1.038 14.894 0.680 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.477 17.780 0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.294 18.150 1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.870 17.402 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.304 15.254 0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.820 13.617 2.719 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.994 17.086 4.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.908 13.198 5.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.873 16.011 6.434 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.309 14.090 6.987 1.00 0.00 H new ATOM 666 N CYS A 47 0.453 15.687 2.562 1.00 0.00 N ATOM 667 CA CYS A 47 1.315 15.490 3.722 1.00 0.00 C ATOM 668 C CYS A 47 2.777 15.731 3.361 1.00 0.00 C ATOM 669 O CYS A 47 3.125 15.854 2.187 1.00 0.00 O ATOM 670 CB CYS A 47 1.141 14.076 4.279 1.00 0.00 C ATOM 671 SG CYS A 47 1.271 13.970 6.079 1.00 0.00 S ATOM 0 H CYS A 47 0.168 14.825 2.097 1.00 0.00 H new ATOM 0 HA CYS A 47 1.025 16.212 4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.167 13.694 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.893 13.426 3.832 1.00 0.00 H new ATOM 0 HG CYS A 47 2.405 13.421 6.401 1.00 0.00 H new ATOM 677 N GLY A 48 3.629 15.799 4.379 1.00 0.00 N ATOM 678 CA GLY A 48 5.044 16.027 4.148 1.00 0.00 C ATOM 679 C GLY A 48 5.820 14.736 3.986 1.00 0.00 C ATOM 680 O GLY A 48 6.226 14.382 2.878 1.00 0.00 O ATOM 0 H GLY A 48 3.365 15.700 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.169 16.637 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.458 16.594 4.981 1.00 0.00 H new ATOM 684 N HIS A 49 6.030 14.030 5.093 1.00 0.00 N ATOM 685 CA HIS A 49 6.765 12.770 5.068 1.00 0.00 C ATOM 686 C HIS A 49 6.297 11.890 3.913 1.00 0.00 C ATOM 687 O HIS A 49 7.056 11.067 3.400 1.00 0.00 O ATOM 688 CB HIS A 49 6.589 12.027 6.393 1.00 0.00 C ATOM 689 CG HIS A 49 5.221 12.174 6.985 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.996 12.706 8.237 1.00 0.00 N ATOM 691 CD2 HIS A 49 4.003 11.855 6.489 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.699 12.707 8.486 1.00 0.00 C ATOM 693 NE2 HIS A 49 3.074 12.196 7.440 1.00 0.00 N ATOM 0 H HIS A 49 5.702 14.309 6.018 1.00 0.00 H new ATOM 0 HA HIS A 49 7.821 12.997 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.796 10.968 6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.326 12.394 7.107 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.800 11.414 5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.229 13.065 9.390 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.065 12.075 7.353 1.00 0.00 H new ATOM 702 N CYS A 50 5.044 12.070 3.509 1.00 0.00 N ATOM 703 CA CYS A 50 4.475 11.291 2.414 1.00 0.00 C ATOM 704 C CYS A 50 5.139 11.649 1.089 1.00 0.00 C ATOM 705 O CYS A 50 5.579 10.771 0.348 1.00 0.00 O ATOM 706 CB CYS A 50 2.967 11.528 2.323 1.00 0.00 C ATOM 707 SG CYS A 50 2.027 10.846 3.709 1.00 0.00 S ATOM 0 H CYS A 50 4.403 12.748 3.922 1.00 0.00 H new ATOM 0 HA CYS A 50 4.659 10.236 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.782 12.601 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.597 11.090 1.396 1.00 0.00 H new ATOM 0 HG CYS A 50 1.670 9.627 3.433 1.00 0.00 H new ATOM 713 N GLN A 51 5.207 12.944 0.798 1.00 0.00 N ATOM 714 CA GLN A 51 5.816 13.417 -0.440 1.00 0.00 C ATOM 715 C GLN A 51 7.278 12.991 -0.525 1.00 0.00 C ATOM 716 O GLN A 51 7.845 12.899 -1.614 1.00 0.00 O ATOM 717 CB GLN A 51 5.710 14.940 -0.535 1.00 0.00 C ATOM 718 CG GLN A 51 4.278 15.450 -0.564 1.00 0.00 C ATOM 719 CD GLN A 51 4.192 16.957 -0.431 1.00 0.00 C ATOM 720 OE1 GLN A 51 5.206 17.655 -0.475 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.978 17.469 -0.267 1.00 0.00 N ATOM 0 H GLN A 51 4.848 13.684 1.402 1.00 0.00 H new ATOM 0 HA GLN A 51 5.277 12.969 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.228 15.386 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.225 15.276 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.806 15.144 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.714 14.985 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.165 16.854 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.858 18.477 -0.172 1.00 0.00 H new ATOM 730 N ARG A 52 7.882 12.733 0.630 1.00 0.00 N ATOM 731 CA ARG A 52 9.278 12.318 0.686 1.00 0.00 C ATOM 732 C ARG A 52 9.400 10.802 0.571 1.00 0.00 C ATOM 733 O ARG A 52 10.504 10.260 0.496 1.00 0.00 O ATOM 734 CB ARG A 52 9.923 12.795 1.989 1.00 0.00 C ATOM 735 CG ARG A 52 9.681 14.267 2.285 1.00 0.00 C ATOM 736 CD ARG A 52 10.559 14.757 3.426 1.00 0.00 C ATOM 737 NE ARG A 52 10.437 16.198 3.630 1.00 0.00 N ATOM 738 CZ ARG A 52 11.019 17.102 2.851 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.760 16.717 1.821 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.861 18.396 3.102 1.00 0.00 N ATOM 0 H ARG A 52 7.426 12.804 1.540 1.00 0.00 H new ATOM 0 HA ARG A 52 9.799 12.772 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.537 12.199 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.997 12.615 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.882 14.857 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.632 14.421 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.285 14.236 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.599 14.507 3.216 1.00 0.00 H new ATOM 0 HE ARG A 52 9.874 16.528 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.884 15.724 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.206 17.414 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.292 18.696 3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.308 19.090 2.503 1.00 0.00 H new ATOM 754 N LEU A 53 8.259 10.121 0.559 1.00 0.00 N ATOM 755 CA LEU A 53 8.237 8.666 0.454 1.00 0.00 C ATOM 756 C LEU A 53 7.949 8.228 -0.978 1.00 0.00 C ATOM 757 O LEU A 53 7.832 7.036 -1.263 1.00 0.00 O ATOM 758 CB LEU A 53 7.186 8.083 1.399 1.00 0.00 C ATOM 759 CG LEU A 53 7.224 6.567 1.592 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.537 6.143 2.232 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.044 6.106 2.436 1.00 0.00 C ATOM 0 H LEU A 53 7.337 10.553 0.621 1.00 0.00 H new ATOM 0 HA LEU A 53 9.220 8.291 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.301 8.556 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.199 8.357 1.026 1.00 0.00 H new ATOM 0 HG LEU A 53 7.151 6.094 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.546 5.061 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.367 6.438 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.641 6.626 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.088 5.024 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.085 6.588 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.113 6.375 1.938 1.00 0.00 H new ATOM 773 N THR A 54 7.836 9.200 -1.878 1.00 0.00 N ATOM 774 CA THR A 54 7.563 8.915 -3.281 1.00 0.00 C ATOM 775 C THR A 54 8.737 8.196 -3.935 1.00 0.00 C ATOM 776 O THR A 54 8.583 7.146 -4.558 1.00 0.00 O ATOM 777 CB THR A 54 7.263 10.205 -4.068 1.00 0.00 C ATOM 778 OG1 THR A 54 6.787 11.222 -3.179 1.00 0.00 O ATOM 779 CG2 THR A 54 6.228 9.949 -5.153 1.00 0.00 C ATOM 0 H THR A 54 7.929 10.192 -1.660 1.00 0.00 H new ATOM 0 HA THR A 54 6.685 8.269 -3.307 1.00 0.00 H new ATOM 0 HB THR A 54 8.187 10.539 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.540 11.772 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.033 10.874 -5.695 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.605 9.196 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.304 9.593 -4.698 1.00 0.00 H new ATOM 787 N PRO A 55 9.939 8.772 -3.791 1.00 0.00 N ATOM 788 CA PRO A 55 11.164 8.202 -4.360 1.00 0.00 C ATOM 789 C PRO A 55 11.587 6.917 -3.656 1.00 0.00 C ATOM 790 O PRO A 55 12.107 5.997 -4.286 1.00 0.00 O ATOM 791 CB PRO A 55 12.205 9.302 -4.136 1.00 0.00 C ATOM 792 CG PRO A 55 11.697 10.072 -2.967 1.00 0.00 C ATOM 793 CD PRO A 55 10.197 10.025 -3.061 1.00 0.00 C ATOM 0 HA PRO A 55 11.036 7.924 -5.406 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.190 8.880 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.305 9.938 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.043 9.634 -2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.058 11.100 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.733 10.018 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.801 10.889 -3.594 1.00 0.00 H new ATOM 801 N GLU A 56 11.359 6.862 -2.348 1.00 0.00 N ATOM 802 CA GLU A 56 11.717 5.689 -1.559 1.00 0.00 C ATOM 803 C GLU A 56 10.800 4.514 -1.885 1.00 0.00 C ATOM 804 O GLU A 56 11.254 3.377 -2.019 1.00 0.00 O ATOM 805 CB GLU A 56 11.643 6.009 -0.065 1.00 0.00 C ATOM 806 CG GLU A 56 12.762 6.914 0.420 1.00 0.00 C ATOM 807 CD GLU A 56 12.478 7.515 1.784 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.423 8.164 1.938 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.312 7.334 2.696 1.00 0.00 O ATOM 0 H GLU A 56 10.928 7.616 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 56 12.740 5.411 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.685 6.483 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.671 5.077 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.691 6.345 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.914 7.716 -0.302 1.00 0.00 H new ATOM 816 N TRP A 57 9.509 4.796 -2.011 1.00 0.00 N ATOM 817 CA TRP A 57 8.527 3.763 -2.320 1.00 0.00 C ATOM 818 C TRP A 57 8.694 3.264 -3.752 1.00 0.00 C ATOM 819 O TRP A 57 8.560 2.071 -4.024 1.00 0.00 O ATOM 820 CB TRP A 57 7.109 4.300 -2.117 1.00 0.00 C ATOM 821 CG TRP A 57 6.059 3.231 -2.150 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.967 3.181 -2.969 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.001 2.061 -1.328 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.233 2.050 -2.705 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.847 1.345 -1.703 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.812 1.546 -0.313 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.486 0.145 -1.097 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.452 0.355 0.288 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.298 -0.336 -0.106 1.00 0.00 C ATOM 0 H TRP A 57 9.117 5.732 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 57 8.692 2.926 -1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.058 4.820 -1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.893 5.036 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.717 3.922 -3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.371 1.779 -3.178 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.704 2.070 -0.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.596 -0.388 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.071 -0.050 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.045 -1.266 0.382 1.00 0.00 H new ATOM 840 N LYS A 58 8.988 4.185 -4.664 1.00 0.00 N ATOM 841 CA LYS A 58 9.175 3.839 -6.068 1.00 0.00 C ATOM 842 C LYS A 58 10.307 2.830 -6.233 1.00 0.00 C ATOM 843 O LYS A 58 10.145 1.802 -6.892 1.00 0.00 O ATOM 844 CB LYS A 58 9.474 5.096 -6.888 1.00 0.00 C ATOM 845 CG LYS A 58 8.230 5.864 -7.300 1.00 0.00 C ATOM 846 CD LYS A 58 8.584 7.184 -7.963 1.00 0.00 C ATOM 847 CE LYS A 58 7.449 8.189 -7.844 1.00 0.00 C ATOM 848 NZ LYS A 58 7.822 9.517 -8.406 1.00 0.00 N ATOM 0 H LYS A 58 9.102 5.177 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 58 8.253 3.386 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.121 5.753 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.029 4.813 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.638 5.258 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.610 6.051 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.484 7.593 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.812 7.014 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.571 7.808 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.173 8.303 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.022 10.174 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.645 9.893 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.061 9.413 -9.413 1.00 0.00 H new ATOM 862 N LYS A 59 11.453 3.129 -5.630 1.00 0.00 N ATOM 863 CA LYS A 59 12.611 2.247 -5.708 1.00 0.00 C ATOM 864 C LYS A 59 12.207 0.795 -5.470 1.00 0.00 C ATOM 865 O LYS A 59 12.509 -0.083 -6.278 1.00 0.00 O ATOM 866 CB LYS A 59 13.668 2.667 -4.683 1.00 0.00 C ATOM 867 CG LYS A 59 14.669 3.675 -5.221 1.00 0.00 C ATOM 868 CD LYS A 59 15.685 4.070 -4.162 1.00 0.00 C ATOM 869 CE LYS A 59 15.206 5.261 -3.346 1.00 0.00 C ATOM 870 NZ LYS A 59 15.631 6.554 -3.950 1.00 0.00 N ATOM 0 H LYS A 59 11.604 3.976 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 59 13.032 2.329 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.169 3.092 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.204 1.781 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.186 3.252 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.141 4.563 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.869 3.224 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.634 4.313 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.119 5.236 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.598 5.188 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.285 7.341 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.669 6.589 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.236 6.636 -4.909 1.00 0.00 H new ATOM 884 N ALA A 60 11.522 0.551 -4.358 1.00 0.00 N ATOM 885 CA ALA A 60 11.074 -0.794 -4.017 1.00 0.00 C ATOM 886 C ALA A 60 10.213 -1.384 -5.129 1.00 0.00 C ATOM 887 O ALA A 60 10.313 -2.570 -5.440 1.00 0.00 O ATOM 888 CB ALA A 60 10.305 -0.776 -2.704 1.00 0.00 C ATOM 0 H ALA A 60 11.265 1.267 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 60 11.955 -1.426 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.976 -1.786 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.951 -0.404 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.436 -0.125 -2.800 1.00 0.00 H new ATOM 894 N ALA A 61 9.367 -0.548 -5.723 1.00 0.00 N ATOM 895 CA ALA A 61 8.490 -0.988 -6.801 1.00 0.00 C ATOM 896 C ALA A 61 9.294 -1.395 -8.031 1.00 0.00 C ATOM 897 O ALA A 61 8.968 -2.374 -8.703 1.00 0.00 O ATOM 898 CB ALA A 61 7.499 0.111 -7.155 1.00 0.00 C ATOM 0 H ALA A 61 9.271 0.437 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 61 7.939 -1.862 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.850 -0.230 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.895 0.352 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.041 1.000 -7.477 1.00 0.00 H new ATOM 904 N THR A 62 10.346 -0.636 -8.323 1.00 0.00 N ATOM 905 CA THR A 62 11.195 -0.917 -9.473 1.00 0.00 C ATOM 906 C THR A 62 11.869 -2.278 -9.340 1.00 0.00 C ATOM 907 O THR A 62 11.954 -3.036 -10.306 1.00 0.00 O ATOM 908 CB THR A 62 12.278 0.164 -9.650 1.00 0.00 C ATOM 909 OG1 THR A 62 11.667 1.455 -9.765 1.00 0.00 O ATOM 910 CG2 THR A 62 13.125 -0.114 -10.883 1.00 0.00 C ATOM 0 H THR A 62 10.630 0.178 -7.778 1.00 0.00 H new ATOM 0 HA THR A 62 10.548 -0.919 -10.350 1.00 0.00 H new ATOM 0 HB THR A 62 12.925 0.145 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.216 1.679 -8.925 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.883 0.663 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.612 -1.084 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.488 -0.120 -11.768 1.00 0.00 H new ATOM 918 N ALA A 63 12.348 -2.581 -8.138 1.00 0.00 N ATOM 919 CA ALA A 63 13.012 -3.852 -7.879 1.00 0.00 C ATOM 920 C ALA A 63 12.001 -4.990 -7.779 1.00 0.00 C ATOM 921 O ALA A 63 12.158 -6.032 -8.417 1.00 0.00 O ATOM 922 CB ALA A 63 13.839 -3.765 -6.605 1.00 0.00 C ATOM 0 H ALA A 63 12.288 -1.963 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 63 13.676 -4.064 -8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.329 -4.721 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.593 -2.985 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.188 -3.526 -5.764 1.00 0.00 H new ATOM 928 N LEU A 64 10.964 -4.784 -6.974 1.00 0.00 N ATOM 929 CA LEU A 64 9.927 -5.793 -6.790 1.00 0.00 C ATOM 930 C LEU A 64 8.912 -5.745 -7.927 1.00 0.00 C ATOM 931 O LEU A 64 7.863 -6.386 -7.866 1.00 0.00 O ATOM 932 CB LEU A 64 9.219 -5.586 -5.450 1.00 0.00 C ATOM 933 CG LEU A 64 10.116 -5.228 -4.265 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.337 -4.437 -3.225 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.709 -6.486 -3.646 1.00 0.00 C ATOM 0 H LEU A 64 10.819 -3.928 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 64 10.404 -6.773 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.479 -4.795 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.674 -6.498 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 64 10.933 -4.605 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.992 -4.191 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.961 -3.518 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.499 -5.035 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.345 -6.212 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.905 -7.134 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.303 -7.014 -4.392 1.00 0.00 H new ATOM 947 N LYS A 65 9.232 -4.982 -8.967 1.00 0.00 N ATOM 948 CA LYS A 65 8.350 -4.851 -10.121 1.00 0.00 C ATOM 949 C LYS A 65 7.893 -6.220 -10.614 1.00 0.00 C ATOM 950 O LYS A 65 6.699 -6.459 -10.794 1.00 0.00 O ATOM 951 CB LYS A 65 9.062 -4.103 -11.250 1.00 0.00 C ATOM 952 CG LYS A 65 8.483 -4.384 -12.626 1.00 0.00 C ATOM 953 CD LYS A 65 9.118 -3.503 -13.689 1.00 0.00 C ATOM 954 CE LYS A 65 8.372 -2.186 -13.838 1.00 0.00 C ATOM 955 NZ LYS A 65 9.038 -1.279 -14.814 1.00 0.00 N ATOM 0 H LYS A 65 10.096 -4.445 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 65 7.472 -4.283 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.009 -3.032 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.117 -4.376 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.639 -5.432 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.406 -4.217 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.158 -3.306 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.124 -4.029 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.350 -2.382 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.309 -1.693 -12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.321 -0.699 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.705 -0.659 -14.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.554 -1.845 -15.518 1.00 0.00 H new ATOM 969 N ASP A 66 8.850 -7.117 -10.828 1.00 0.00 N ATOM 970 CA ASP A 66 8.545 -8.463 -11.298 1.00 0.00 C ATOM 971 C ASP A 66 8.436 -9.435 -10.127 1.00 0.00 C ATOM 972 O ASP A 66 7.846 -10.509 -10.250 1.00 0.00 O ATOM 973 CB ASP A 66 9.620 -8.941 -12.275 1.00 0.00 C ATOM 974 CG ASP A 66 9.390 -8.430 -13.684 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.294 -8.671 -14.231 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.307 -7.788 -14.239 1.00 0.00 O ATOM 0 H ASP A 66 9.843 -6.936 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 66 7.585 -8.433 -11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.598 -8.609 -11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.639 -10.031 -12.285 1.00 0.00 H new ATOM 981 N VAL A 67 9.010 -9.052 -8.991 1.00 0.00 N ATOM 982 CA VAL A 67 8.977 -9.889 -7.797 1.00 0.00 C ATOM 983 C VAL A 67 7.661 -9.725 -7.047 1.00 0.00 C ATOM 984 O VAL A 67 6.855 -10.653 -6.975 1.00 0.00 O ATOM 985 CB VAL A 67 10.142 -9.556 -6.847 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.485 -10.759 -5.980 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.358 -9.094 -7.636 1.00 0.00 C ATOM 0 H VAL A 67 9.504 -8.167 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 67 9.074 -10.922 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 67 9.832 -8.742 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.310 -10.505 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.615 -11.040 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.776 -11.595 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.172 -8.863 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.672 -9.885 -8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.103 -8.202 -8.209 1.00 0.00 H new ATOM 997 N VAL A 68 7.448 -8.538 -6.488 1.00 0.00 N ATOM 998 CA VAL A 68 6.228 -8.251 -5.744 1.00 0.00 C ATOM 999 C VAL A 68 5.563 -6.975 -6.249 1.00 0.00 C ATOM 1000 O VAL A 68 6.166 -5.902 -6.242 1.00 0.00 O ATOM 1001 CB VAL A 68 6.511 -8.106 -4.237 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.266 -7.631 -3.503 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.010 -9.422 -3.660 1.00 0.00 C ATOM 0 H VAL A 68 8.105 -7.759 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 68 5.556 -9.095 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 68 7.291 -7.357 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.485 -7.534 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.957 -6.664 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.463 -8.354 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.205 -9.301 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.254 -10.193 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.930 -9.716 -4.166 1.00 0.00 H new ATOM 1013 N LYS A 69 4.315 -7.100 -6.688 1.00 0.00 N ATOM 1014 CA LYS A 69 3.564 -5.957 -7.196 1.00 0.00 C ATOM 1015 C LYS A 69 3.498 -4.844 -6.156 1.00 0.00 C ATOM 1016 O LYS A 69 2.992 -5.041 -5.052 1.00 0.00 O ATOM 1017 CB LYS A 69 2.149 -6.385 -7.592 1.00 0.00 C ATOM 1018 CG LYS A 69 2.087 -7.133 -8.913 1.00 0.00 C ATOM 1019 CD LYS A 69 1.878 -6.184 -10.081 1.00 0.00 C ATOM 1020 CE LYS A 69 3.203 -5.742 -10.683 1.00 0.00 C ATOM 1021 NZ LYS A 69 3.084 -5.465 -12.142 1.00 0.00 N ATOM 0 H LYS A 69 3.802 -7.981 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 69 4.081 -5.577 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.737 -7.018 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.515 -5.501 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.011 -7.693 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.275 -7.859 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.275 -6.674 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.320 -5.310 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.554 -4.846 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.952 -6.517 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.542 -4.558 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.547 -6.226 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.079 -5.418 -12.406 1.00 0.00 H new ATOM 1035 N VAL A 70 4.011 -3.672 -6.517 1.00 0.00 N ATOM 1036 CA VAL A 70 4.008 -2.526 -5.616 1.00 0.00 C ATOM 1037 C VAL A 70 3.176 -1.382 -6.185 1.00 0.00 C ATOM 1038 O VAL A 70 3.566 -0.742 -7.161 1.00 0.00 O ATOM 1039 CB VAL A 70 5.437 -2.021 -5.344 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.406 -0.764 -4.487 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.269 -3.108 -4.681 1.00 0.00 C ATOM 0 H VAL A 70 4.434 -3.491 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 70 3.566 -2.862 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 70 5.902 -1.770 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.425 -0.422 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.848 0.016 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.922 -0.984 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.276 -2.734 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.808 -3.393 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.320 -3.978 -5.336 1.00 0.00 H new ATOM 1051 N GLY A 71 2.026 -1.128 -5.566 1.00 0.00 N ATOM 1052 CA GLY A 71 1.157 -0.060 -6.025 1.00 0.00 C ATOM 1053 C GLY A 71 1.206 1.155 -5.121 1.00 0.00 C ATOM 1054 O GLY A 71 2.196 1.382 -4.427 1.00 0.00 O ATOM 0 H GLY A 71 1.681 -1.643 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.446 0.231 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.132 -0.427 -6.080 1.00 0.00 H new ATOM 1058 N ALA A 72 0.134 1.941 -5.130 1.00 0.00 N ATOM 1059 CA ALA A 72 0.058 3.140 -4.305 1.00 0.00 C ATOM 1060 C ALA A 72 -1.323 3.781 -4.394 1.00 0.00 C ATOM 1061 O ALA A 72 -1.785 4.136 -5.478 1.00 0.00 O ATOM 1062 CB ALA A 72 1.132 4.135 -4.719 1.00 0.00 C ATOM 0 H ALA A 72 -0.694 1.768 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 72 0.228 2.849 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.063 5.026 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.115 3.681 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.988 4.412 -5.763 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.977 3.928 -3.246 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.305 4.527 -3.194 1.00 0.00 C ATOM 1070 C VAL A 73 -3.280 5.857 -2.449 1.00 0.00 C ATOM 1071 O VAL A 73 -2.831 5.930 -1.306 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.319 3.588 -2.513 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.488 4.382 -1.951 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.804 2.528 -3.490 1.00 0.00 C ATOM 0 H VAL A 73 -1.608 3.640 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.615 4.698 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.821 3.084 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.194 3.702 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.121 5.099 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.988 4.915 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.519 1.874 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.285 3.010 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.956 1.939 -3.839 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.765 6.906 -3.105 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.798 8.234 -2.504 1.00 0.00 C ATOM 1086 C ASN A 74 -4.853 8.308 -1.405 1.00 0.00 C ATOM 1087 O ASN A 74 -6.014 8.620 -1.665 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.082 9.293 -3.572 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.245 10.680 -2.982 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.017 10.891 -1.791 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.643 11.635 -3.815 1.00 0.00 N ATOM 0 H ASN A 74 -4.140 6.862 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.822 8.429 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.267 9.303 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.988 9.023 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.771 12.588 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.821 11.415 -4.795 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.439 8.020 -0.175 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.347 8.056 0.964 1.00 0.00 C ATOM 1100 C ALA A 75 -6.238 9.293 0.918 1.00 0.00 C ATOM 1101 O ALA A 75 -7.427 9.226 1.230 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.562 8.018 2.267 1.00 0.00 C ATOM 0 H ALA A 75 -3.481 7.759 0.057 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.988 7.176 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.253 8.046 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.973 7.102 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.896 8.880 2.316 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.655 10.421 0.526 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.396 11.674 0.438 1.00 0.00 C ATOM 1110 C ASP A 76 -7.541 11.559 -0.563 1.00 0.00 C ATOM 1111 O ASP A 76 -8.665 11.982 -0.290 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.463 12.816 0.035 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.177 14.152 -0.030 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.879 14.497 0.943 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.034 14.852 -1.055 1.00 0.00 O ATOM 0 H ASP A 76 -4.672 10.493 0.264 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.816 11.888 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.643 12.880 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.022 12.595 -0.937 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.249 10.985 -1.725 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.253 10.813 -2.769 1.00 0.00 C ATOM 1122 C LYS A 77 -9.109 9.579 -2.502 1.00 0.00 C ATOM 1123 O LYS A 77 -10.328 9.677 -2.359 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.580 10.694 -4.138 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.528 10.271 -5.247 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.788 9.573 -6.376 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.089 10.573 -7.285 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.019 11.147 -8.297 1.00 0.00 N ATOM 0 H LYS A 77 -6.324 10.630 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.900 11.690 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.134 11.654 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.766 9.972 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.289 9.604 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.047 11.147 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.054 8.883 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.490 8.978 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.666 11.377 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.258 10.083 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.483 11.420 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.735 10.437 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.490 11.985 -7.900 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.463 8.419 -2.435 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.166 7.166 -2.184 1.00 0.00 C ATOM 1144 C HIS A 78 -9.387 6.958 -0.688 1.00 0.00 C ATOM 1145 O HIS A 78 -9.201 5.857 -0.172 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.380 5.991 -2.764 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.042 6.153 -4.214 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.885 5.939 -4.883 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.953 6.585 -5.155 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -7.116 6.242 -6.202 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.371 6.629 -6.340 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.454 8.321 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.139 7.219 -2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.458 5.866 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.960 5.077 -2.635 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.981 6.846 -4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.389 6.175 -6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.815 6.913 -7.213 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.784 8.023 0.000 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.028 7.956 1.436 1.00 0.00 C ATOM 1162 C GLN A 79 -10.799 6.692 1.799 1.00 0.00 C ATOM 1163 O GLN A 79 -10.625 6.136 2.883 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.801 9.191 1.902 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.909 10.369 2.261 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.623 11.407 3.103 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.517 11.081 3.885 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.233 12.667 2.947 1.00 0.00 N ATOM 0 H GLN A 79 -9.944 8.942 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.063 7.928 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.491 9.495 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.404 8.925 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.035 10.006 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.546 10.837 1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.488 12.892 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.678 13.409 3.486 1.00 0.00 H new ATOM 1177 N SER A 80 -11.653 6.243 0.885 1.00 0.00 N ATOM 1178 CA SER A 80 -12.455 5.046 1.110 1.00 0.00 C ATOM 1179 C SER A 80 -11.567 3.810 1.219 1.00 0.00 C ATOM 1180 O SER A 80 -11.670 3.040 2.175 1.00 0.00 O ATOM 1181 CB SER A 80 -13.466 4.863 -0.023 1.00 0.00 C ATOM 1182 OG SER A 80 -14.610 4.156 0.423 1.00 0.00 O ATOM 0 H SER A 80 -11.807 6.690 -0.019 1.00 0.00 H new ATOM 0 HA SER A 80 -12.993 5.170 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.765 5.838 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.000 4.323 -0.847 1.00 0.00 H new ATOM 0 HG SER A 80 -15.241 4.054 -0.319 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.696 3.627 0.234 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.788 2.485 0.218 1.00 0.00 C ATOM 1190 C LEU A 81 -9.005 2.393 1.523 1.00 0.00 C ATOM 1191 O LEU A 81 -8.949 1.337 2.152 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.822 2.593 -0.963 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.422 2.337 -2.347 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.356 2.466 -3.423 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.073 0.963 -2.400 1.00 0.00 C ATOM 0 H LEU A 81 -10.599 4.254 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.385 1.579 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.384 3.591 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.007 1.886 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.190 3.088 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.801 2.281 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.936 3.472 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.565 1.738 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.494 0.798 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.325 0.198 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.866 0.907 -1.655 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.403 3.508 1.926 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.633 3.532 3.156 1.00 0.00 C ATOM 1209 C GLY A 82 -8.478 3.220 4.375 1.00 0.00 C ATOM 1210 O GLY A 82 -8.212 2.257 5.093 1.00 0.00 O ATOM 0 H GLY A 82 -8.435 4.395 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.820 2.809 3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.176 4.514 3.276 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.499 4.038 4.612 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.368 3.829 5.754 1.00 0.00 C ATOM 1216 C GLY A 83 -11.023 2.462 5.742 1.00 0.00 C ATOM 1217 O GLY A 83 -11.311 1.895 6.796 1.00 0.00 O ATOM 0 H GLY A 83 -9.739 4.842 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.791 3.944 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.140 4.598 5.765 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.262 1.932 4.546 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.890 0.624 4.401 1.00 0.00 C ATOM 1223 C GLN A 84 -11.007 -0.471 4.990 1.00 0.00 C ATOM 1224 O GLN A 84 -11.467 -1.586 5.239 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.172 0.331 2.927 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.954 -0.953 2.701 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.637 -0.990 1.348 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.855 -0.838 1.250 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.854 -1.194 0.295 1.00 0.00 N ATOM 0 H GLN A 84 -11.030 2.389 3.664 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.833 0.638 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.728 1.165 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.226 0.270 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.279 -1.805 2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.703 -1.060 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.849 -1.315 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.257 -1.230 -0.641 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.738 -0.147 5.210 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.790 -1.105 5.767 1.00 0.00 C ATOM 1240 C TYR A 85 -8.464 -0.768 7.219 1.00 0.00 C ATOM 1241 O TYR A 85 -8.326 -1.656 8.058 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.505 -1.124 4.936 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.609 -1.960 3.680 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.507 -1.627 2.673 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.812 -3.084 3.502 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.606 -2.388 1.524 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -6.903 -3.849 2.356 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.802 -3.498 1.370 1.00 0.00 C ATOM 1249 OH TYR A 85 -7.897 -4.259 0.228 1.00 0.00 O ATOM 0 H TYR A 85 -9.342 0.772 5.011 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.250 -2.093 5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.244 -0.102 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.690 -1.507 5.551 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.138 -0.759 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.109 -3.364 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.309 -2.115 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.274 -4.718 2.232 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.748 -3.691 -0.557 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.344 0.525 7.507 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.036 0.958 8.858 1.00 0.00 C ATOM 1261 C GLY A 86 -6.937 2.001 8.895 1.00 0.00 C ATOM 1262 O GLY A 86 -6.272 2.177 9.917 1.00 0.00 O ATOM 0 H GLY A 86 -8.454 1.280 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.935 1.366 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.735 0.096 9.453 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.743 2.695 7.778 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.716 3.727 7.688 1.00 0.00 C ATOM 1268 C VAL A 87 -6.123 4.977 8.459 1.00 0.00 C ATOM 1269 O VAL A 87 -7.148 5.592 8.166 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.434 4.110 6.223 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.286 5.104 6.143 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.135 2.869 5.396 1.00 0.00 C ATOM 0 H VAL A 87 -7.283 2.562 6.923 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.810 3.311 8.129 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.324 4.586 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.101 5.363 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.545 6.004 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.388 4.658 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.938 3.158 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.260 2.362 5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.992 2.196 5.427 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.313 5.346 9.446 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.590 6.523 10.261 1.00 0.00 C ATOM 1284 C GLN A 88 -4.570 7.624 9.990 1.00 0.00 C ATOM 1285 O GLN A 88 -4.918 8.801 9.910 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.580 6.156 11.746 1.00 0.00 C ATOM 1287 CG GLN A 88 -6.671 5.173 12.137 1.00 0.00 C ATOM 1288 CD GLN A 88 -8.046 5.809 12.169 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -8.911 5.489 11.353 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -8.256 6.717 13.115 1.00 0.00 N ATOM 0 H GLN A 88 -4.460 4.847 9.701 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.579 6.895 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.610 5.729 12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.693 7.065 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.676 4.342 11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.445 4.757 13.119 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.511 6.952 13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.162 7.179 13.186 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.307 7.233 9.851 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.255 8.199 9.591 1.00 0.00 C ATOM 1301 C GLY A 89 -1.239 7.693 8.586 1.00 0.00 C ATOM 1302 O GLY A 89 -0.776 6.556 8.678 1.00 0.00 O ATOM 0 H GLY A 89 -2.993 6.264 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.698 9.124 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.748 8.440 10.525 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.891 8.539 7.622 1.00 0.00 N ATOM 1307 CA PHE A 90 0.075 8.171 6.593 1.00 0.00 C ATOM 1308 C PHE A 90 1.456 8.731 6.919 1.00 0.00 C ATOM 1309 O PHE A 90 1.607 9.653 7.722 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.385 8.681 5.226 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.852 8.999 5.167 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.794 8.060 5.555 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.289 10.237 4.724 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.144 8.349 5.501 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.638 10.532 4.668 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.567 9.587 5.058 1.00 0.00 C ATOM 0 H PHE A 90 -1.264 9.484 7.532 1.00 0.00 H new ATOM 0 HA PHE A 90 0.141 7.083 6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.183 9.576 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.153 7.930 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.469 7.091 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.567 10.980 4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.868 7.607 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.966 11.500 4.320 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.622 9.816 5.017 1.00 0.00 H new ATOM 1326 N PRO A 91 2.490 8.161 6.283 1.00 0.00 N ATOM 1327 CA PRO A 91 2.323 7.063 5.326 1.00 0.00 C ATOM 1328 C PRO A 91 1.897 5.765 6.003 1.00 0.00 C ATOM 1329 O PRO A 91 2.254 5.505 7.152 1.00 0.00 O ATOM 1330 CB PRO A 91 3.717 6.914 4.711 1.00 0.00 C ATOM 1331 CG PRO A 91 4.647 7.443 5.747 1.00 0.00 C ATOM 1332 CD PRO A 91 3.902 8.545 6.449 1.00 0.00 C ATOM 0 HA PRO A 91 1.541 7.273 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.937 5.872 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.801 7.475 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.937 6.660 6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.564 7.819 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.180 8.611 7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.109 9.518 6.003 1.00 0.00 H new ATOM 1340 N THR A 92 1.132 4.951 5.282 1.00 0.00 N ATOM 1341 CA THR A 92 0.657 3.679 5.813 1.00 0.00 C ATOM 1342 C THR A 92 0.831 2.559 4.794 1.00 0.00 C ATOM 1343 O THR A 92 0.037 2.426 3.862 1.00 0.00 O ATOM 1344 CB THR A 92 -0.826 3.760 6.222 1.00 0.00 C ATOM 1345 OG1 THR A 92 -0.952 4.439 7.476 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.435 2.370 6.328 1.00 0.00 C ATOM 0 H THR A 92 0.828 5.150 4.329 1.00 0.00 H new ATOM 0 HA THR A 92 1.258 3.460 6.695 1.00 0.00 H new ATOM 0 HB THR A 92 -1.362 4.316 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.019 5.404 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.482 2.453 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.364 1.867 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.895 1.793 7.079 1.00 0.00 H new ATOM 1354 N ILE A 93 1.872 1.754 4.979 1.00 0.00 N ATOM 1355 CA ILE A 93 2.148 0.644 4.076 1.00 0.00 C ATOM 1356 C ILE A 93 1.412 -0.617 4.514 1.00 0.00 C ATOM 1357 O ILE A 93 1.283 -0.891 5.708 1.00 0.00 O ATOM 1358 CB ILE A 93 3.657 0.343 3.998 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.419 1.572 3.499 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.913 -0.850 3.090 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.860 1.616 3.955 1.00 0.00 C ATOM 0 H ILE A 93 2.538 1.850 5.746 1.00 0.00 H new ATOM 0 HA ILE A 93 1.794 0.944 3.090 1.00 0.00 H new ATOM 0 HB ILE A 93 4.016 0.097 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.391 1.589 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.909 2.471 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.984 -1.050 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.397 -1.725 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.543 -0.631 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.338 2.514 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.897 1.630 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.385 0.735 3.586 1.00 0.00 H new ATOM 1373 N LYS A 94 0.931 -1.384 3.541 1.00 0.00 N ATOM 1374 CA LYS A 94 0.210 -2.619 3.825 1.00 0.00 C ATOM 1375 C LYS A 94 0.658 -3.737 2.890 1.00 0.00 C ATOM 1376 O LYS A 94 0.792 -3.534 1.683 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.298 -2.396 3.686 1.00 0.00 C ATOM 1378 CG LYS A 94 -1.922 -1.693 4.878 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.253 -2.671 5.993 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.319 -2.115 6.924 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.582 -3.026 8.072 1.00 0.00 N ATOM 0 H LYS A 94 1.028 -1.172 2.548 1.00 0.00 H new ATOM 0 HA LYS A 94 0.434 -2.915 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.488 -1.808 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.788 -3.360 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.237 -0.932 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.830 -1.178 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.598 -3.611 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.351 -2.894 6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.003 -1.141 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.242 -1.958 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.338 -2.628 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.876 -3.958 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.716 -3.129 8.639 1.00 0.00 H new ATOM 1395 N ILE A 95 0.887 -4.918 3.455 1.00 0.00 N ATOM 1396 CA ILE A 95 1.317 -6.069 2.671 1.00 0.00 C ATOM 1397 C ILE A 95 0.145 -6.997 2.368 1.00 0.00 C ATOM 1398 O ILE A 95 -0.693 -7.258 3.231 1.00 0.00 O ATOM 1399 CB ILE A 95 2.414 -6.868 3.399 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.666 -6.006 3.583 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.747 -8.136 2.627 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.524 -6.429 4.754 1.00 0.00 C ATOM 0 H ILE A 95 0.782 -5.103 4.453 1.00 0.00 H new ATOM 0 HA ILE A 95 1.721 -5.680 1.736 1.00 0.00 H new ATOM 0 HB ILE A 95 2.043 -7.152 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.263 -6.048 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.365 -4.967 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.524 -8.690 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.854 -8.755 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.102 -7.873 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.393 -5.775 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.943 -6.360 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.855 -7.457 4.610 1.00 0.00 H new ATOM 1414 N PHE A 96 0.094 -7.494 1.136 1.00 0.00 N ATOM 1415 CA PHE A 96 -0.974 -8.394 0.718 1.00 0.00 C ATOM 1416 C PHE A 96 -0.415 -9.761 0.338 1.00 0.00 C ATOM 1417 O PHE A 96 0.511 -9.864 -0.465 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.740 -7.796 -0.464 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.668 -6.681 -0.075 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.167 -5.448 0.311 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.041 -6.866 -0.094 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.018 -4.419 0.669 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -4.897 -5.841 0.262 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.385 -4.617 0.645 1.00 0.00 C ATOM 0 H PHE A 96 0.780 -7.288 0.410 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.658 -8.522 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.026 -7.424 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.315 -8.584 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.099 -5.289 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.447 -7.822 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.615 -3.462 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.965 -5.997 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.052 -3.816 0.925 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.986 -10.811 0.922 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.532 -12.159 0.633 1.00 0.00 C ATOM 1436 C GLY A 97 -1.493 -13.215 1.141 1.00 0.00 C ATOM 1437 O GLY A 97 -2.424 -13.606 0.437 1.00 0.00 O ATOM 0 H GLY A 97 -1.755 -10.752 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.407 -12.274 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.447 -12.315 1.086 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.266 -13.680 2.365 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.119 -14.698 2.966 1.00 0.00 C ATOM 1443 C ALA A 98 -3.590 -14.430 2.663 1.00 0.00 C ATOM 1444 O ALA A 98 -4.230 -15.184 1.932 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.890 -14.759 4.468 1.00 0.00 C ATOM 0 H ALA A 98 -0.498 -13.368 2.960 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.855 -15.662 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.534 -15.523 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.847 -15.006 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.125 -13.791 4.911 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.119 -13.351 3.232 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.515 -12.985 3.024 1.00 0.00 C ATOM 1453 C ASN A 99 -5.624 -11.636 2.318 1.00 0.00 C ATOM 1454 O ASN A 99 -5.449 -10.585 2.935 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.255 -12.935 4.361 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.755 -12.787 4.187 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.382 -12.029 5.079 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.341 -13.348 3.262 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.602 -12.716 3.840 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.974 -13.745 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.045 -13.845 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.876 -12.101 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.818 -13.921 2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.350 -13.240 3.157 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.915 -11.674 1.023 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.050 -10.457 0.232 1.00 0.00 C ATOM 1467 C LYS A 100 -7.122 -9.544 0.818 1.00 0.00 C ATOM 1468 O LYS A 100 -7.143 -8.343 0.550 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.395 -10.801 -1.218 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.195 -11.231 -2.044 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.155 -10.127 -2.131 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.068 -10.464 -3.140 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.270 -11.649 -2.721 1.00 0.00 N ATOM 0 H LYS A 100 -6.062 -12.536 0.498 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.096 -9.931 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.136 -11.600 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.857 -9.933 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.747 -12.120 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.522 -11.505 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.638 -9.192 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.706 -9.970 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.522 -10.657 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.407 -9.606 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.346 -11.631 -3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.129 -11.626 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.777 -12.519 -2.981 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.010 -10.121 1.621 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.085 -9.358 2.246 1.00 0.00 C ATOM 1489 C ASN A 101 -8.571 -8.586 3.457 1.00 0.00 C ATOM 1490 O ASN A 101 -9.073 -7.509 3.780 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.223 -10.291 2.667 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.085 -10.716 1.494 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.064 -10.051 1.156 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.724 -11.831 0.868 1.00 0.00 N ATOM 0 H ASN A 101 -8.007 -11.114 1.854 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.462 -8.643 1.515 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.805 -11.176 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.845 -9.790 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.266 -12.168 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.905 -12.350 1.183 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.566 -9.143 4.124 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.981 -8.508 5.299 1.00 0.00 C ATOM 1503 C LYS A 102 -5.458 -8.555 5.241 1.00 0.00 C ATOM 1504 O LYS A 102 -4.829 -9.550 5.603 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.475 -9.194 6.575 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.980 -9.400 6.611 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.440 -9.913 7.965 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.445 -11.433 8.012 1.00 0.00 C ATOM 1509 NZ LYS A 102 -9.499 -11.945 9.409 1.00 0.00 N ATOM 0 H LYS A 102 -7.139 -10.034 3.870 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.295 -7.464 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.982 -10.161 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.178 -8.597 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.482 -8.459 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.270 -10.108 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.783 -9.526 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.441 -9.538 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.302 -11.811 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.550 -11.814 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.501 -12.985 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.669 -11.606 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.365 -11.602 9.871 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.848 -7.454 4.777 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.390 -7.345 4.663 1.00 0.00 C ATOM 1525 C PRO A 103 -2.707 -7.269 6.024 1.00 0.00 C ATOM 1526 O PRO A 103 -3.369 -7.163 7.056 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.192 -6.039 3.891 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.415 -5.238 4.179 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.534 -6.231 4.328 1.00 0.00 C ATOM 0 HA PRO A 103 -2.952 -8.215 4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.292 -5.518 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.083 -6.224 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.291 -4.650 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.621 -4.536 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.274 -5.896 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.060 -6.388 3.386 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.378 -7.323 6.018 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.606 -7.260 7.253 1.00 0.00 C ATOM 1539 C GLU A 104 -0.041 -5.859 7.471 1.00 0.00 C ATOM 1540 O GLU A 104 0.109 -5.085 6.525 1.00 0.00 O ATOM 1541 CB GLU A 104 0.532 -8.282 7.222 1.00 0.00 C ATOM 1542 CG GLU A 104 0.057 -9.718 7.077 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.314 -10.347 8.406 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -0.948 -9.658 9.232 1.00 0.00 O ATOM 1545 OE2 GLU A 104 0.030 -11.528 8.619 1.00 0.00 O ATOM 0 H GLU A 104 -0.815 -7.410 5.172 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.274 -7.496 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.200 -8.044 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.115 -8.192 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.807 -9.746 6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.841 -10.310 6.605 1.00 0.00 H new ATOM 1552 N ASP A 105 0.270 -5.541 8.723 1.00 0.00 N ATOM 1553 CA ASP A 105 0.819 -4.234 9.066 1.00 0.00 C ATOM 1554 C ASP A 105 2.306 -4.165 8.733 1.00 0.00 C ATOM 1555 O ASP A 105 3.130 -4.796 9.395 1.00 0.00 O ATOM 1556 CB ASP A 105 0.602 -3.940 10.551 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.768 -4.377 11.033 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.769 -4.033 10.369 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.839 -5.062 12.074 1.00 0.00 O ATOM 0 H ASP A 105 0.151 -6.170 9.517 1.00 0.00 H new ATOM 0 HA ASP A 105 0.297 -3.481 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.369 -4.449 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.723 -2.871 10.728 1.00 0.00 H new ATOM 1564 N TYR A 106 2.641 -3.397 7.703 1.00 0.00 N ATOM 1565 CA TYR A 106 4.029 -3.248 7.280 1.00 0.00 C ATOM 1566 C TYR A 106 4.861 -2.576 8.367 1.00 0.00 C ATOM 1567 O TYR A 106 4.774 -1.365 8.570 1.00 0.00 O ATOM 1568 CB TYR A 106 4.106 -2.435 5.987 1.00 0.00 C ATOM 1569 CG TYR A 106 5.518 -2.207 5.498 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.317 -1.218 6.059 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.054 -2.979 4.474 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.608 -1.005 5.615 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.344 -2.774 4.025 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.117 -1.786 4.599 1.00 0.00 C ATOM 1575 OH TYR A 106 9.402 -1.578 4.153 1.00 0.00 O ATOM 0 H TYR A 106 1.971 -2.868 7.145 1.00 0.00 H new ATOM 0 HA TYR A 106 4.436 -4.243 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.540 -2.949 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.625 -1.470 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.922 -0.605 6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.451 -3.753 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.215 -0.231 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.745 -3.384 3.229 1.00 0.00 H new ATOM 0 HH TYR A 106 9.747 -0.741 4.528 1.00 0.00 H new ATOM 1585 N GLN A 107 5.667 -3.371 9.063 1.00 0.00 N ATOM 1586 CA GLN A 107 6.516 -2.853 10.130 1.00 0.00 C ATOM 1587 C GLN A 107 7.984 -2.872 9.716 1.00 0.00 C ATOM 1588 O GLN A 107 8.857 -3.224 10.508 1.00 0.00 O ATOM 1589 CB GLN A 107 6.323 -3.673 11.407 1.00 0.00 C ATOM 1590 CG GLN A 107 4.989 -3.426 12.093 1.00 0.00 C ATOM 1591 CD GLN A 107 4.951 -2.107 12.838 1.00 0.00 C ATOM 1592 OE1 GLN A 107 5.838 -1.808 13.639 1.00 0.00 O ATOM 1593 NE2 GLN A 107 3.922 -1.309 12.579 1.00 0.00 N ATOM 0 H GLN A 107 5.750 -4.376 8.908 1.00 0.00 H new ATOM 0 HA GLN A 107 6.225 -1.820 10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.407 -4.732 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.129 -3.441 12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.193 -3.441 11.348 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.788 -4.239 12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.210 -1.597 11.908 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.844 -0.408 13.051 1.00 0.00 H new ATOM 1602 N GLY A 108 8.247 -2.492 8.470 1.00 0.00 N ATOM 1603 CA GLY A 108 9.610 -2.473 7.972 1.00 0.00 C ATOM 1604 C GLY A 108 10.116 -1.067 7.721 1.00 0.00 C ATOM 1605 O GLY A 108 9.406 -0.092 7.962 1.00 0.00 O ATOM 0 H GLY A 108 7.540 -2.197 7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.263 -2.968 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.663 -3.046 7.046 1.00 0.00 H new ATOM 1609 N GLY A 109 11.350 -0.961 7.236 1.00 0.00 N ATOM 1610 CA GLY A 109 11.930 0.340 6.961 1.00 0.00 C ATOM 1611 C GLY A 109 11.247 1.048 5.808 1.00 0.00 C ATOM 1612 O GLY A 109 10.964 0.438 4.776 1.00 0.00 O ATOM 0 H GLY A 109 11.958 -1.753 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.863 0.960 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.989 0.221 6.734 1.00 0.00 H new ATOM 1616 N ARG A 110 10.980 2.338 5.982 1.00 0.00 N ATOM 1617 CA ARG A 110 10.323 3.129 4.948 1.00 0.00 C ATOM 1618 C ARG A 110 11.325 3.579 3.889 1.00 0.00 C ATOM 1619 O ARG A 110 11.310 4.732 3.454 1.00 0.00 O ATOM 1620 CB ARG A 110 9.636 4.347 5.567 1.00 0.00 C ATOM 1621 CG ARG A 110 8.513 3.991 6.527 1.00 0.00 C ATOM 1622 CD ARG A 110 7.437 5.065 6.548 1.00 0.00 C ATOM 1623 NE ARG A 110 7.957 6.352 7.000 1.00 0.00 N ATOM 1624 CZ ARG A 110 8.150 6.660 8.278 1.00 0.00 C ATOM 1625 NH1 ARG A 110 7.868 5.776 9.225 1.00 0.00 N ATOM 1626 NH2 ARG A 110 8.627 7.852 8.610 1.00 0.00 N ATOM 0 H ARG A 110 11.208 2.858 6.829 1.00 0.00 H new ATOM 0 HA ARG A 110 9.571 2.502 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.380 4.943 6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.236 4.972 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 110 8.072 3.038 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.918 3.861 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.015 5.175 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.625 4.752 7.204 1.00 0.00 H new ATOM 0 HE ARG A 110 8.185 7.054 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.502 4.858 8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.017 6.014 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.846 8.534 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.775 8.087 9.592 1.00 0.00 H new ATOM 1640 N THR A 111 12.197 2.663 3.478 1.00 0.00 N ATOM 1641 CA THR A 111 13.207 2.966 2.473 1.00 0.00 C ATOM 1642 C THR A 111 13.214 1.917 1.367 1.00 0.00 C ATOM 1643 O THR A 111 13.210 0.716 1.637 1.00 0.00 O ATOM 1644 CB THR A 111 14.613 3.049 3.096 1.00 0.00 C ATOM 1645 OG1 THR A 111 14.807 1.965 4.012 1.00 0.00 O ATOM 1646 CG2 THR A 111 14.807 4.373 3.820 1.00 0.00 C ATOM 0 H THR A 111 12.223 1.705 3.827 1.00 0.00 H new ATOM 0 HA THR A 111 12.949 3.936 2.048 1.00 0.00 H new ATOM 0 HB THR A 111 15.347 2.982 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.704 2.023 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 111 15.807 4.408 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.687 5.195 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 111 14.066 4.466 4.614 1.00 0.00 H new ATOM 1654 N GLY A 112 13.227 2.377 0.120 1.00 0.00 N ATOM 1655 CA GLY A 112 13.235 1.464 -1.008 1.00 0.00 C ATOM 1656 C GLY A 112 13.978 0.178 -0.707 1.00 0.00 C ATOM 1657 O GLY A 112 13.570 -0.898 -1.142 1.00 0.00 O ATOM 0 H GLY A 112 13.232 3.366 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.208 1.230 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.696 1.954 -1.865 1.00 0.00 H new ATOM 1661 N GLU A 113 15.074 0.290 0.037 1.00 0.00 N ATOM 1662 CA GLU A 113 15.877 -0.874 0.393 1.00 0.00 C ATOM 1663 C GLU A 113 15.100 -1.810 1.315 1.00 0.00 C ATOM 1664 O GLU A 113 14.838 -2.962 0.969 1.00 0.00 O ATOM 1665 CB GLU A 113 17.178 -0.437 1.070 1.00 0.00 C ATOM 1666 CG GLU A 113 17.653 0.941 0.642 1.00 0.00 C ATOM 1667 CD GLU A 113 17.497 1.176 -0.848 1.00 0.00 C ATOM 1668 OE1 GLU A 113 18.191 0.496 -1.632 1.00 0.00 O ATOM 1669 OE2 GLU A 113 16.680 2.040 -1.229 1.00 0.00 O ATOM 0 H GLU A 113 15.426 1.174 0.405 1.00 0.00 H new ATOM 0 HA GLU A 113 16.117 -1.412 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.036 -0.444 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.957 -1.166 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.091 1.700 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.701 1.062 0.917 1.00 0.00 H new ATOM 1676 N ALA A 114 14.736 -1.306 2.489 1.00 0.00 N ATOM 1677 CA ALA A 114 13.988 -2.095 3.460 1.00 0.00 C ATOM 1678 C ALA A 114 12.757 -2.728 2.822 1.00 0.00 C ATOM 1679 O ALA A 114 12.478 -3.910 3.027 1.00 0.00 O ATOM 1680 CB ALA A 114 13.585 -1.230 4.645 1.00 0.00 C ATOM 0 H ALA A 114 14.947 -0.355 2.791 1.00 0.00 H new ATOM 0 HA ALA A 114 14.635 -2.898 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.027 -1.832 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.479 -0.830 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.960 -0.407 4.299 1.00 0.00 H new ATOM 1686 N ILE A 115 12.023 -1.935 2.048 1.00 0.00 N ATOM 1687 CA ILE A 115 10.822 -2.419 1.380 1.00 0.00 C ATOM 1688 C ILE A 115 11.126 -3.640 0.518 1.00 0.00 C ATOM 1689 O ILE A 115 10.395 -4.630 0.545 1.00 0.00 O ATOM 1690 CB ILE A 115 10.190 -1.326 0.497 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.960 -0.052 1.312 1.00 0.00 C ATOM 1692 CG2 ILE A 115 8.882 -1.821 -0.103 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.094 1.217 0.500 1.00 0.00 C ATOM 0 H ILE A 115 12.240 -0.955 1.868 1.00 0.00 H new ATOM 0 HA ILE A 115 10.116 -2.697 2.163 1.00 0.00 H new ATOM 0 HB ILE A 115 10.876 -1.095 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.964 -0.088 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.673 -0.024 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.447 -1.038 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.073 -2.704 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.188 -2.076 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.918 2.080 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.098 1.276 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.363 1.211 -0.308 1.00 0.00 H new ATOM 1705 N VAL A 116 12.211 -3.563 -0.246 1.00 0.00 N ATOM 1706 CA VAL A 116 12.615 -4.662 -1.114 1.00 0.00 C ATOM 1707 C VAL A 116 12.780 -5.955 -0.323 1.00 0.00 C ATOM 1708 O VAL A 116 12.373 -7.026 -0.773 1.00 0.00 O ATOM 1709 CB VAL A 116 13.935 -4.347 -1.843 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.411 -5.556 -2.633 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.766 -3.139 -2.751 1.00 0.00 C ATOM 0 H VAL A 116 12.826 -2.750 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 116 11.823 -4.789 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 116 14.694 -4.109 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.345 -5.314 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.574 -6.393 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.656 -5.829 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.708 -2.930 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 116 12.993 -3.346 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.475 -2.274 -2.155 1.00 0.00 H new ATOM 1721 N ASP A 117 13.379 -5.847 0.858 1.00 0.00 N ATOM 1722 CA ASP A 117 13.597 -7.007 1.714 1.00 0.00 C ATOM 1723 C ASP A 117 12.278 -7.513 2.290 1.00 0.00 C ATOM 1724 O ASP A 117 12.091 -8.715 2.476 1.00 0.00 O ATOM 1725 CB ASP A 117 14.562 -6.657 2.848 1.00 0.00 C ATOM 1726 CG ASP A 117 15.255 -7.880 3.415 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.707 -8.993 3.274 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.347 -7.724 4.001 1.00 0.00 O ATOM 0 H ASP A 117 13.722 -4.968 1.244 1.00 0.00 H new ATOM 0 HA ASP A 117 14.035 -7.799 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.311 -5.956 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.015 -6.151 3.644 1.00 0.00 H new ATOM 1733 N ALA A 118 11.367 -6.587 2.570 1.00 0.00 N ATOM 1734 CA ALA A 118 10.065 -6.939 3.124 1.00 0.00 C ATOM 1735 C ALA A 118 9.238 -7.734 2.119 1.00 0.00 C ATOM 1736 O ALA A 118 8.640 -8.753 2.462 1.00 0.00 O ATOM 1737 CB ALA A 118 9.317 -5.685 3.552 1.00 0.00 C ATOM 0 H ALA A 118 11.506 -5.587 2.422 1.00 0.00 H new ATOM 0 HA ALA A 118 10.228 -7.568 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.347 -5.963 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.895 -5.157 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.172 -5.035 2.689 1.00 0.00 H new ATOM 1743 N ALA A 119 9.208 -7.260 0.878 1.00 0.00 N ATOM 1744 CA ALA A 119 8.455 -7.928 -0.177 1.00 0.00 C ATOM 1745 C ALA A 119 8.953 -9.354 -0.389 1.00 0.00 C ATOM 1746 O ALA A 119 8.159 -10.285 -0.529 1.00 0.00 O ATOM 1747 CB ALA A 119 8.547 -7.137 -1.473 1.00 0.00 C ATOM 0 H ALA A 119 9.696 -6.416 0.578 1.00 0.00 H new ATOM 0 HA ALA A 119 7.411 -7.978 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.980 -7.647 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.136 -6.139 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.591 -7.057 -1.777 1.00 0.00 H new ATOM 1753 N LEU A 120 10.271 -9.517 -0.412 1.00 0.00 N ATOM 1754 CA LEU A 120 10.875 -10.831 -0.608 1.00 0.00 C ATOM 1755 C LEU A 120 10.539 -11.763 0.551 1.00 0.00 C ATOM 1756 O LEU A 120 9.992 -12.848 0.350 1.00 0.00 O ATOM 1757 CB LEU A 120 12.393 -10.700 -0.748 1.00 0.00 C ATOM 1758 CG LEU A 120 12.889 -9.884 -1.942 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.246 -9.267 -1.641 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.962 -10.754 -3.189 1.00 0.00 C ATOM 0 H LEU A 120 10.942 -8.757 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 120 10.467 -11.258 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.784 -10.248 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.819 -11.701 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 120 12.179 -9.078 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.583 -8.690 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.163 -8.611 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.966 -10.057 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.317 -10.157 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.650 -11.581 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.971 -11.148 -3.417 1.00 0.00 H new ATOM 1772 N SER A 121 10.867 -11.333 1.765 1.00 0.00 N ATOM 1773 CA SER A 121 10.601 -12.129 2.957 1.00 0.00 C ATOM 1774 C SER A 121 9.179 -12.681 2.936 1.00 0.00 C ATOM 1775 O SER A 121 8.957 -13.867 3.178 1.00 0.00 O ATOM 1776 CB SER A 121 10.816 -11.288 4.217 1.00 0.00 C ATOM 1777 OG SER A 121 11.149 -12.106 5.325 1.00 0.00 O ATOM 0 H SER A 121 11.318 -10.437 1.949 1.00 0.00 H new ATOM 0 HA SER A 121 11.297 -12.968 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.612 -10.564 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.912 -10.721 4.438 1.00 0.00 H new ATOM 0 HG SER A 121 11.283 -11.545 6.117 1.00 0.00 H new ATOM 1783 N ALA A 122 8.218 -11.810 2.644 1.00 0.00 N ATOM 1784 CA ALA A 122 6.817 -12.209 2.588 1.00 0.00 C ATOM 1785 C ALA A 122 6.571 -13.194 1.450 1.00 0.00 C ATOM 1786 O ALA A 122 5.886 -14.202 1.626 1.00 0.00 O ATOM 1787 CB ALA A 122 5.926 -10.985 2.431 1.00 0.00 C ATOM 0 H ALA A 122 8.384 -10.824 2.443 1.00 0.00 H new ATOM 0 HA ALA A 122 6.569 -12.708 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.882 -11.297 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.072 -10.317 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.184 -10.463 1.510 1.00 0.00 H new ATOM 1793 N LEU A 123 7.134 -12.896 0.284 1.00 0.00 N ATOM 1794 CA LEU A 123 6.975 -13.756 -0.883 1.00 0.00 C ATOM 1795 C LEU A 123 7.309 -15.204 -0.543 1.00 0.00 C ATOM 1796 O LEU A 123 6.472 -16.095 -0.688 1.00 0.00 O ATOM 1797 CB LEU A 123 7.869 -13.269 -2.025 1.00 0.00 C ATOM 1798 CG LEU A 123 7.353 -13.530 -3.440 1.00 0.00 C ATOM 1799 CD1 LEU A 123 6.986 -14.996 -3.613 1.00 0.00 C ATOM 1800 CD2 LEU A 123 6.157 -12.640 -3.744 1.00 0.00 C ATOM 0 H LEU A 123 7.704 -12.066 0.122 1.00 0.00 H new ATOM 0 HA LEU A 123 5.933 -13.708 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.022 -12.196 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.845 -13.743 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 123 8.148 -13.290 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.621 -15.162 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.866 -15.615 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.207 -15.263 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.803 -12.839 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.358 -12.848 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.452 -11.594 -3.662 1.00 0.00 H new ATOM 1812 N ARG A 124 8.536 -15.432 -0.087 1.00 0.00 N ATOM 1813 CA ARG A 124 8.980 -16.772 0.276 1.00 0.00 C ATOM 1814 C ARG A 124 8.081 -17.370 1.354 1.00 0.00 C ATOM 1815 O ARG A 124 7.724 -18.547 1.296 1.00 0.00 O ATOM 1816 CB ARG A 124 10.429 -16.737 0.768 1.00 0.00 C ATOM 1817 CG ARG A 124 10.651 -15.794 1.939 1.00 0.00 C ATOM 1818 CD ARG A 124 12.125 -15.693 2.300 1.00 0.00 C ATOM 1819 NE ARG A 124 12.322 -15.381 3.713 1.00 0.00 N ATOM 1820 CZ ARG A 124 12.211 -16.278 4.686 1.00 0.00 C ATOM 1821 NH1 ARG A 124 11.906 -17.536 4.400 1.00 0.00 N ATOM 1822 NH2 ARG A 124 12.406 -15.918 5.948 1.00 0.00 N ATOM 0 H ARG A 124 9.241 -14.706 0.040 1.00 0.00 H new ATOM 0 HA ARG A 124 8.920 -17.400 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 124 10.729 -17.743 1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 124 11.077 -16.438 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.268 -14.805 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 124 10.087 -16.145 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 124 12.621 -16.634 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 124 12.596 -14.922 1.690 1.00 0.00 H new ATOM 0 HE ARG A 124 12.558 -14.422 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.756 -17.817 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.821 -18.223 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 124 12.641 -14.951 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.320 -16.608 6.694 1.00 0.00 H new ATOM 1836 N SER A 125 7.718 -16.551 2.336 1.00 0.00 N ATOM 1837 CA SER A 125 6.864 -17.000 3.429 1.00 0.00 C ATOM 1838 C SER A 125 5.473 -17.364 2.918 1.00 0.00 C ATOM 1839 O SER A 125 4.774 -18.182 3.514 1.00 0.00 O ATOM 1840 CB SER A 125 6.757 -15.913 4.501 1.00 0.00 C ATOM 1841 OG SER A 125 7.777 -16.056 5.475 1.00 0.00 O ATOM 0 H SER A 125 8.002 -15.573 2.397 1.00 0.00 H new ATOM 0 HA SER A 125 7.316 -17.890 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.829 -14.930 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.780 -15.967 4.982 1.00 0.00 H new ATOM 0 HG SER A 125 7.688 -15.349 6.148 1.00 0.00 H new ATOM 1847 N GLY A 126 5.078 -16.748 1.808 1.00 0.00 N ATOM 1848 CA GLY A 126 3.773 -17.018 1.233 1.00 0.00 C ATOM 1849 C GLY A 126 3.671 -18.417 0.658 1.00 0.00 C ATOM 1850 O GLY A 126 4.399 -19.328 1.053 1.00 0.00 O ATOM 0 H GLY A 126 5.639 -16.067 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.008 -16.886 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.568 -16.290 0.448 1.00 0.00 H new ATOM 1854 N PRO A 127 2.748 -18.603 -0.297 1.00 0.00 N ATOM 1855 CA PRO A 127 2.531 -19.899 -0.946 1.00 0.00 C ATOM 1856 C PRO A 127 3.691 -20.294 -1.854 1.00 0.00 C ATOM 1857 O PRO A 127 3.727 -21.404 -2.384 1.00 0.00 O ATOM 1858 CB PRO A 127 1.260 -19.674 -1.770 1.00 0.00 C ATOM 1859 CG PRO A 127 1.230 -18.207 -2.027 1.00 0.00 C ATOM 1860 CD PRO A 127 1.845 -17.562 -0.816 1.00 0.00 C ATOM 0 HA PRO A 127 2.448 -20.709 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 127 1.287 -20.239 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 127 0.373 -19.999 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 127 1.789 -17.957 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 127 0.209 -17.858 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 127 2.387 -16.653 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 127 1.089 -17.283 -0.082 1.00 0.00 H new ATOM 1868 N SER A 128 4.639 -19.378 -2.028 1.00 0.00 N ATOM 1869 CA SER A 128 5.799 -19.631 -2.874 1.00 0.00 C ATOM 1870 C SER A 128 6.757 -20.611 -2.204 1.00 0.00 C ATOM 1871 O SER A 128 7.514 -20.241 -1.307 1.00 0.00 O ATOM 1872 CB SER A 128 6.526 -18.320 -3.183 1.00 0.00 C ATOM 1873 OG SER A 128 7.639 -18.542 -4.032 1.00 0.00 O ATOM 0 H SER A 128 4.626 -18.455 -1.594 1.00 0.00 H new ATOM 0 HA SER A 128 5.449 -20.073 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.837 -17.621 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.860 -17.858 -2.254 1.00 0.00 H new ATOM 0 HG SER A 128 8.086 -17.689 -4.216 1.00 0.00 H new ATOM 1879 N SER A 129 6.718 -21.863 -2.648 1.00 0.00 N ATOM 1880 CA SER A 129 7.580 -22.899 -2.090 1.00 0.00 C ATOM 1881 C SER A 129 7.657 -22.781 -0.571 1.00 0.00 C ATOM 1882 O SER A 129 8.734 -22.874 0.016 1.00 0.00 O ATOM 1883 CB SER A 129 8.983 -22.804 -2.692 1.00 0.00 C ATOM 1884 OG SER A 129 9.572 -21.545 -2.417 1.00 0.00 O ATOM 0 H SER A 129 6.099 -22.185 -3.392 1.00 0.00 H new ATOM 0 HA SER A 129 7.150 -23.869 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.610 -23.598 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.931 -22.957 -3.770 1.00 0.00 H new ATOM 0 HG SER A 129 9.053 -21.085 -1.724 1.00 0.00 H new ATOM 1890 N GLY A 130 6.505 -22.575 0.060 1.00 0.00 N ATOM 1891 CA GLY A 130 6.463 -22.447 1.505 1.00 0.00 C ATOM 1892 C GLY A 130 5.060 -22.598 2.060 1.00 0.00 C ATOM 1893 O GLY A 130 4.399 -21.607 2.373 1.00 0.00 O ATOM 0 H GLY A 130 5.600 -22.494 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.111 -23.201 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 130 6.861 -21.474 1.792 1.00 0.00 H new TER 1897 GLY A 130