USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 57 MET CE :methyl 146:sc= -0.429 (180deg=-1.58!) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.34! C(o=-2.8!,f=-5.7!) USER MOD Set 2.1: A 16 THR OG1 : rot -122:sc= -1.11 USER MOD Set 2.2: A 48 SER OG : rot 109:sc= 0.128 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.0721 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= -0.625 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -130:sc=-0.00845 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 27 GLN : amide:sc= -0.0563 K(o=-0.056,f=-0.98) USER MOD Single : A 28 GLN : amide:sc= -1.09 K(o=-1.1,f=-14!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -24:sc= -0.723 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00859 X(o=-0.0086,f=-0.092) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 51 ASN : amide:sc=-0.00788 K(o=-0.0079,f=-0.77) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.232 K(o=-0.23,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.36! K(o=-5.4!,f=-3.3) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 88:sc= -1.97! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.22) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 94 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.3!) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00277) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.870 -2.807 -27.592 1.00 0.00 N ATOM 2 CA GLY A 1 18.814 -3.360 -26.636 1.00 0.00 C ATOM 3 C GLY A 1 18.167 -3.525 -25.259 1.00 0.00 C ATOM 4 O GLY A 1 18.540 -2.841 -24.308 1.00 0.00 O ATOM 0 H1 GLY A 1 18.333 -2.705 -28.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.053 -3.444 -27.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.547 -1.875 -27.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.173 -4.326 -26.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.683 -2.706 -26.558 1.00 0.00 H new ATOM 8 N SER A 2 17.208 -4.437 -25.197 1.00 0.00 N ATOM 9 CA SER A 2 16.505 -4.700 -23.953 1.00 0.00 C ATOM 10 C SER A 2 15.954 -6.128 -23.955 1.00 0.00 C ATOM 11 O SER A 2 15.411 -6.586 -24.959 1.00 0.00 O ATOM 12 CB SER A 2 15.372 -3.695 -23.737 1.00 0.00 C ATOM 13 OG SER A 2 15.769 -2.616 -22.896 1.00 0.00 O ATOM 0 H SER A 2 16.901 -5.003 -25.988 1.00 0.00 H new ATOM 0 HA SER A 2 17.213 -4.591 -23.131 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.047 -3.303 -24.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.516 -4.204 -23.294 1.00 0.00 H new ATOM 0 HG SER A 2 16.698 -2.373 -23.092 1.00 0.00 H new ATOM 19 N GLU A 3 16.115 -6.791 -22.820 1.00 0.00 N ATOM 20 CA GLU A 3 15.641 -8.158 -22.678 1.00 0.00 C ATOM 21 C GLU A 3 15.560 -8.541 -21.199 1.00 0.00 C ATOM 22 O GLU A 3 16.130 -7.862 -20.346 1.00 0.00 O ATOM 23 CB GLU A 3 16.535 -9.131 -23.448 1.00 0.00 C ATOM 24 CG GLU A 3 17.937 -9.186 -22.840 1.00 0.00 C ATOM 25 CD GLU A 3 18.196 -10.543 -22.181 1.00 0.00 C ATOM 26 OE1 GLU A 3 17.984 -11.560 -22.875 1.00 0.00 O ATOM 27 OE2 GLU A 3 18.600 -10.531 -20.998 1.00 0.00 O ATOM 0 H GLU A 3 16.567 -6.408 -21.990 1.00 0.00 H new ATOM 0 HA GLU A 3 14.640 -8.221 -23.105 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.090 -10.126 -23.436 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.599 -8.823 -24.492 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.681 -9.007 -23.616 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.049 -8.392 -22.102 1.00 0.00 H new ATOM 34 N GLY A 4 14.848 -9.627 -20.940 1.00 0.00 N ATOM 35 CA GLY A 4 14.685 -10.109 -19.578 1.00 0.00 C ATOM 36 C GLY A 4 13.759 -11.326 -19.534 1.00 0.00 C ATOM 37 O GLY A 4 13.738 -12.129 -20.466 1.00 0.00 O ATOM 0 H GLY A 4 14.377 -10.188 -21.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.658 -10.373 -19.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.277 -9.314 -18.954 1.00 0.00 H new ATOM 41 N ALA A 5 13.016 -11.425 -18.441 1.00 0.00 N ATOM 42 CA ALA A 5 12.091 -12.531 -18.263 1.00 0.00 C ATOM 43 C ALA A 5 11.169 -12.233 -17.079 1.00 0.00 C ATOM 44 O ALA A 5 9.952 -12.149 -17.241 1.00 0.00 O ATOM 45 CB ALA A 5 12.877 -13.830 -18.078 1.00 0.00 C ATOM 0 H ALA A 5 13.036 -10.757 -17.670 1.00 0.00 H new ATOM 0 HA ALA A 5 11.464 -12.653 -19.146 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.183 -14.660 -17.944 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.493 -14.011 -18.959 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.516 -13.747 -17.199 1.00 0.00 H new ATOM 51 N ALA A 6 11.784 -12.082 -15.915 1.00 0.00 N ATOM 52 CA ALA A 6 11.033 -11.795 -14.705 1.00 0.00 C ATOM 53 C ALA A 6 11.861 -10.879 -13.802 1.00 0.00 C ATOM 54 O ALA A 6 13.078 -11.028 -13.708 1.00 0.00 O ATOM 55 CB ALA A 6 10.656 -13.108 -14.015 1.00 0.00 C ATOM 0 H ALA A 6 12.793 -12.153 -15.784 1.00 0.00 H new ATOM 0 HA ALA A 6 10.106 -11.273 -14.943 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.093 -12.893 -13.107 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.045 -13.710 -14.687 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.562 -13.657 -13.758 1.00 0.00 H new ATOM 61 N THR A 7 11.168 -9.950 -13.159 1.00 0.00 N ATOM 62 CA THR A 7 11.824 -9.009 -12.267 1.00 0.00 C ATOM 63 C THR A 7 11.452 -9.306 -10.813 1.00 0.00 C ATOM 64 O THR A 7 10.292 -9.176 -10.425 1.00 0.00 O ATOM 65 CB THR A 7 11.449 -7.595 -12.713 1.00 0.00 C ATOM 66 OG1 THR A 7 12.137 -7.427 -13.950 1.00 0.00 O ATOM 67 CG2 THR A 7 12.046 -6.517 -11.805 1.00 0.00 C ATOM 0 H THR A 7 10.158 -9.829 -13.238 1.00 0.00 H new ATOM 0 HA THR A 7 12.909 -9.105 -12.319 1.00 0.00 H new ATOM 0 HB THR A 7 10.364 -7.496 -12.730 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.948 -6.536 -14.311 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.749 -5.532 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.681 -6.656 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.133 -6.595 -11.814 1.00 0.00 H new ATOM 75 N MET A 8 12.459 -9.700 -10.047 1.00 0.00 N ATOM 76 CA MET A 8 12.253 -10.017 -8.644 1.00 0.00 C ATOM 77 C MET A 8 12.194 -8.744 -7.798 1.00 0.00 C ATOM 78 O MET A 8 13.175 -8.007 -7.708 1.00 0.00 O ATOM 79 CB MET A 8 13.395 -10.907 -8.148 1.00 0.00 C ATOM 80 CG MET A 8 12.927 -12.353 -7.973 1.00 0.00 C ATOM 81 SD MET A 8 13.409 -12.960 -6.366 1.00 0.00 S ATOM 82 CE MET A 8 11.915 -13.817 -5.896 1.00 0.00 C ATOM 0 H MET A 8 13.420 -9.807 -10.372 1.00 0.00 H new ATOM 0 HA MET A 8 11.303 -10.542 -8.545 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.222 -10.872 -8.857 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.772 -10.526 -7.199 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.844 -12.409 -8.082 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.359 -12.981 -8.753 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.045 -14.259 -4.908 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.084 -13.112 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.703 -14.603 -6.621 1.00 0.00 H new ATOM 92 N SER A 9 11.033 -8.524 -7.198 1.00 0.00 N ATOM 93 CA SER A 9 10.832 -7.352 -6.362 1.00 0.00 C ATOM 94 C SER A 9 9.881 -7.687 -5.212 1.00 0.00 C ATOM 95 O SER A 9 8.841 -8.310 -5.422 1.00 0.00 O ATOM 96 CB SER A 9 10.286 -6.180 -7.179 1.00 0.00 C ATOM 97 OG SER A 9 8.970 -6.434 -7.664 1.00 0.00 O ATOM 0 H SER A 9 10.222 -9.138 -7.274 1.00 0.00 H new ATOM 0 HA SER A 9 11.797 -7.055 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.278 -5.281 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.951 -5.984 -8.020 1.00 0.00 H new ATOM 0 HG SER A 9 8.656 -5.661 -8.179 1.00 0.00 H new ATOM 103 N GLY A 10 10.271 -7.259 -4.020 1.00 0.00 N ATOM 104 CA GLY A 10 9.466 -7.505 -2.836 1.00 0.00 C ATOM 105 C GLY A 10 8.597 -6.291 -2.501 1.00 0.00 C ATOM 106 O GLY A 10 8.848 -5.596 -1.518 1.00 0.00 O ATOM 0 H GLY A 10 11.134 -6.743 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.832 -8.377 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.116 -7.736 -1.992 1.00 0.00 H new ATOM 110 N LEU A 11 7.593 -6.073 -3.338 1.00 0.00 N ATOM 111 CA LEU A 11 6.686 -4.955 -3.143 1.00 0.00 C ATOM 112 C LEU A 11 5.747 -5.263 -1.975 1.00 0.00 C ATOM 113 O LEU A 11 5.182 -6.353 -1.899 1.00 0.00 O ATOM 114 CB LEU A 11 5.957 -4.623 -4.447 1.00 0.00 C ATOM 115 CG LEU A 11 6.143 -3.199 -4.976 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.554 -2.173 -4.006 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.615 -2.917 -5.285 1.00 0.00 C ATOM 0 H LEU A 11 7.388 -6.652 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 11 7.242 -4.056 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.291 -5.321 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.891 -4.798 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 11 5.594 -3.108 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.699 -1.169 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.488 -2.362 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.054 -2.255 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.720 -1.899 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.206 -3.032 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.969 -3.619 -6.040 1.00 0.00 H new ATOM 129 N ARG A 12 5.610 -4.283 -1.093 1.00 0.00 N ATOM 130 CA ARG A 12 4.750 -4.436 0.067 1.00 0.00 C ATOM 131 C ARG A 12 3.867 -3.198 0.240 1.00 0.00 C ATOM 132 O ARG A 12 4.360 -2.072 0.223 1.00 0.00 O ATOM 133 CB ARG A 12 5.573 -4.648 1.339 1.00 0.00 C ATOM 134 CG ARG A 12 6.526 -5.835 1.184 1.00 0.00 C ATOM 135 CD ARG A 12 6.520 -6.711 2.439 1.00 0.00 C ATOM 136 NE ARG A 12 7.906 -6.925 2.913 1.00 0.00 N ATOM 137 CZ ARG A 12 8.238 -7.752 3.914 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.286 -8.446 4.553 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.521 -7.884 4.276 1.00 0.00 N ATOM 0 H ARG A 12 6.080 -3.380 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 12 4.124 -5.313 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.143 -3.746 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.906 -4.821 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.233 -6.430 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.536 -5.472 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.928 -6.236 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.049 -7.670 2.221 1.00 0.00 H new ATOM 0 HE ARG A 12 8.655 -6.411 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.309 -8.345 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.538 -9.076 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.245 -7.355 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.774 -8.513 5.038 1.00 0.00 H new ATOM 153 N VAL A 13 2.576 -3.450 0.403 1.00 0.00 N ATOM 154 CA VAL A 13 1.620 -2.370 0.579 1.00 0.00 C ATOM 155 C VAL A 13 1.091 -2.391 2.014 1.00 0.00 C ATOM 156 O VAL A 13 0.193 -3.167 2.337 1.00 0.00 O ATOM 157 CB VAL A 13 0.510 -2.479 -0.469 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.694 -1.616 -0.084 1.00 0.00 C ATOM 159 CG2 VAL A 13 1.029 -2.106 -1.859 1.00 0.00 C ATOM 0 H VAL A 13 2.170 -4.386 0.417 1.00 0.00 H new ATOM 0 HA VAL A 13 2.102 -1.404 0.425 1.00 0.00 H new ATOM 0 HB VAL A 13 0.182 -3.518 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.468 -1.711 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.087 -1.948 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.385 -0.573 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.220 -2.192 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.398 -1.080 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.839 -2.780 -2.138 1.00 0.00 H new ATOM 169 N TYR A 14 1.671 -1.530 2.837 1.00 0.00 N ATOM 170 CA TYR A 14 1.270 -1.440 4.231 1.00 0.00 C ATOM 171 C TYR A 14 -0.097 -0.765 4.365 1.00 0.00 C ATOM 172 O TYR A 14 -0.197 0.460 4.300 1.00 0.00 O ATOM 173 CB TYR A 14 2.325 -0.572 4.918 1.00 0.00 C ATOM 174 CG TYR A 14 3.636 -1.303 5.214 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.484 -1.644 4.180 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.971 -1.620 6.514 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.718 -2.332 4.458 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.205 -2.308 6.792 1.00 0.00 C ATOM 179 CZ TYR A 14 6.018 -2.630 5.750 1.00 0.00 C ATOM 180 OH TYR A 14 7.184 -3.279 6.013 1.00 0.00 O ATOM 0 H TYR A 14 2.416 -0.888 2.565 1.00 0.00 H new ATOM 0 HA TYR A 14 1.194 -2.433 4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.537 0.292 4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.914 -0.191 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.222 -1.395 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.308 -1.352 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.390 -2.605 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.479 -2.563 7.805 1.00 0.00 H new ATOM 0 HH TYR A 14 7.267 -3.425 6.979 1.00 0.00 H new ATOM 190 N SER A 15 -1.115 -1.592 4.550 1.00 0.00 N ATOM 191 CA SER A 15 -2.471 -1.090 4.695 1.00 0.00 C ATOM 192 C SER A 15 -3.085 -1.610 5.996 1.00 0.00 C ATOM 193 O SER A 15 -2.517 -2.484 6.649 1.00 0.00 O ATOM 194 CB SER A 15 -3.337 -1.493 3.500 1.00 0.00 C ATOM 195 OG SER A 15 -2.909 -2.722 2.920 1.00 0.00 O ATOM 0 H SER A 15 -1.028 -2.607 4.603 1.00 0.00 H new ATOM 0 HA SER A 15 -2.432 -0.001 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.375 -1.585 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.304 -0.706 2.747 1.00 0.00 H new ATOM 0 HG SER A 15 -2.967 -2.661 1.944 1.00 0.00 H new ATOM 201 N THR A 16 -4.238 -1.051 6.333 1.00 0.00 N ATOM 202 CA THR A 16 -4.936 -1.447 7.544 1.00 0.00 C ATOM 203 C THR A 16 -6.379 -1.843 7.223 1.00 0.00 C ATOM 204 O THR A 16 -7.002 -1.263 6.335 1.00 0.00 O ATOM 205 CB THR A 16 -4.831 -0.297 8.548 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.599 -0.739 9.664 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.555 0.964 8.073 1.00 0.00 C ATOM 0 H THR A 16 -4.706 -0.327 5.788 1.00 0.00 H new ATOM 0 HA THR A 16 -4.481 -2.331 7.991 1.00 0.00 H new ATOM 0 HB THR A 16 -3.781 -0.066 8.726 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.309 -0.090 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.449 1.748 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.120 1.300 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.612 0.743 7.926 1.00 0.00 H new ATOM 215 N SER A 17 -6.867 -2.827 7.963 1.00 0.00 N ATOM 216 CA SER A 17 -8.225 -3.307 7.768 1.00 0.00 C ATOM 217 C SER A 17 -9.204 -2.449 8.572 1.00 0.00 C ATOM 218 O SER A 17 -10.173 -1.928 8.023 1.00 0.00 O ATOM 219 CB SER A 17 -8.352 -4.777 8.172 1.00 0.00 C ATOM 220 OG SER A 17 -8.729 -5.603 7.073 1.00 0.00 O ATOM 0 H SER A 17 -6.347 -3.305 8.699 1.00 0.00 H new ATOM 0 HA SER A 17 -8.468 -3.227 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.402 -5.125 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.092 -4.872 8.967 1.00 0.00 H new ATOM 0 HG SER A 17 -8.798 -6.534 7.372 1.00 0.00 H new ATOM 226 N VAL A 18 -8.916 -2.329 9.860 1.00 0.00 N ATOM 227 CA VAL A 18 -9.759 -1.543 10.744 1.00 0.00 C ATOM 228 C VAL A 18 -9.185 -0.130 10.867 1.00 0.00 C ATOM 229 O VAL A 18 -8.082 0.053 11.382 1.00 0.00 O ATOM 230 CB VAL A 18 -9.904 -2.249 12.094 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.741 -1.413 13.063 1.00 0.00 C ATOM 232 CG2 VAL A 18 -10.499 -3.647 11.920 1.00 0.00 C ATOM 0 H VAL A 18 -8.111 -2.763 10.312 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.763 -1.451 10.331 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.908 -2.360 12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.828 -1.938 14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.258 -0.449 13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.734 -1.255 12.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.591 -4.127 12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.484 -3.569 11.459 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.847 -4.243 11.282 1.00 0.00 H new ATOM 242 N THR A 19 -9.958 0.833 10.386 1.00 0.00 N ATOM 243 CA THR A 19 -9.539 2.223 10.436 1.00 0.00 C ATOM 244 C THR A 19 -10.753 3.149 10.341 1.00 0.00 C ATOM 245 O THR A 19 -11.500 3.102 9.365 1.00 0.00 O ATOM 246 CB THR A 19 -8.515 2.449 9.322 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.312 3.859 9.317 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.083 2.148 7.934 1.00 0.00 C ATOM 0 H THR A 19 -10.872 0.678 9.960 1.00 0.00 H new ATOM 0 HA THR A 19 -9.063 2.458 11.388 1.00 0.00 H new ATOM 0 HB THR A 19 -7.642 1.822 9.500 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.660 4.093 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.315 2.325 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.402 1.107 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.937 2.798 7.741 1.00 0.00 H new ATOM 256 N GLY A 20 -10.913 3.970 11.368 1.00 0.00 N ATOM 257 CA GLY A 20 -12.024 4.906 11.413 1.00 0.00 C ATOM 258 C GLY A 20 -11.643 6.241 10.770 1.00 0.00 C ATOM 259 O GLY A 20 -11.735 7.289 11.407 1.00 0.00 O ATOM 0 H GLY A 20 -10.292 4.007 12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.883 4.481 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.325 5.069 12.448 1.00 0.00 H new ATOM 263 N SER A 21 -11.222 6.159 9.517 1.00 0.00 N ATOM 264 CA SER A 21 -10.826 7.347 8.781 1.00 0.00 C ATOM 265 C SER A 21 -11.723 7.526 7.554 1.00 0.00 C ATOM 266 O SER A 21 -12.175 8.634 7.267 1.00 0.00 O ATOM 267 CB SER A 21 -9.358 7.270 8.358 1.00 0.00 C ATOM 268 OG SER A 21 -8.487 7.806 9.351 1.00 0.00 O ATOM 0 H SER A 21 -11.146 5.288 8.992 1.00 0.00 H new ATOM 0 HA SER A 21 -10.942 8.210 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.091 6.231 8.164 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.221 7.814 7.424 1.00 0.00 H new ATOM 0 HG SER A 21 -7.871 8.444 8.935 1.00 0.00 H new ATOM 274 N ARG A 22 -11.953 6.419 6.863 1.00 0.00 N ATOM 275 CA ARG A 22 -12.788 6.440 5.674 1.00 0.00 C ATOM 276 C ARG A 22 -11.964 6.861 4.455 1.00 0.00 C ATOM 277 O ARG A 22 -12.010 6.207 3.414 1.00 0.00 O ATOM 278 CB ARG A 22 -13.964 7.403 5.843 1.00 0.00 C ATOM 279 CG ARG A 22 -15.184 6.922 5.055 1.00 0.00 C ATOM 280 CD ARG A 22 -15.916 5.806 5.804 1.00 0.00 C ATOM 281 NE ARG A 22 -17.051 6.369 6.568 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.849 5.649 7.368 1.00 0.00 C ATOM 283 NH1 ARG A 22 -17.641 4.333 7.514 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.856 6.244 8.023 1.00 0.00 N ATOM 0 H ARG A 22 -11.576 5.502 7.104 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.177 5.433 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.219 7.489 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.676 8.398 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.864 7.757 4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.870 6.562 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.278 5.059 5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.228 5.299 6.480 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.238 7.368 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.875 3.879 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.249 3.785 8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.015 7.245 7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.463 5.695 8.632 1.00 0.00 H new ATOM 298 N GLU A 23 -11.231 7.952 4.624 1.00 0.00 N ATOM 299 CA GLU A 23 -10.398 8.468 3.551 1.00 0.00 C ATOM 300 C GLU A 23 -9.195 7.551 3.324 1.00 0.00 C ATOM 301 O GLU A 23 -8.912 7.159 2.193 1.00 0.00 O ATOM 302 CB GLU A 23 -9.949 9.900 3.846 1.00 0.00 C ATOM 303 CG GLU A 23 -9.490 10.605 2.568 1.00 0.00 C ATOM 304 CD GLU A 23 -10.561 11.575 2.063 1.00 0.00 C ATOM 305 OE1 GLU A 23 -10.967 12.441 2.868 1.00 0.00 O ATOM 306 OE2 GLU A 23 -10.948 11.428 0.884 1.00 0.00 O ATOM 0 H GLU A 23 -11.197 8.493 5.488 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.990 8.489 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.770 10.457 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.135 9.888 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.564 11.147 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.272 9.865 1.798 1.00 0.00 H new ATOM 313 N ILE A 24 -8.518 7.235 4.419 1.00 0.00 N ATOM 314 CA ILE A 24 -7.351 6.372 4.354 1.00 0.00 C ATOM 315 C ILE A 24 -7.667 5.160 3.474 1.00 0.00 C ATOM 316 O ILE A 24 -6.974 4.905 2.491 1.00 0.00 O ATOM 317 CB ILE A 24 -6.878 6.003 5.761 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.477 7.252 6.549 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.749 4.972 5.708 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.881 6.876 7.907 1.00 0.00 C ATOM 0 H ILE A 24 -8.756 7.561 5.356 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.516 6.896 3.889 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.711 5.541 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.751 7.830 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.349 7.890 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.432 4.728 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.104 4.069 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.906 5.384 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.605 7.782 8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.618 6.319 8.486 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.995 6.258 7.757 1.00 0.00 H new ATOM 332 N LYS A 25 -8.714 4.445 3.861 1.00 0.00 N ATOM 333 CA LYS A 25 -9.130 3.267 3.120 1.00 0.00 C ATOM 334 C LYS A 25 -9.021 3.548 1.620 1.00 0.00 C ATOM 335 O LYS A 25 -8.301 2.853 0.905 1.00 0.00 O ATOM 336 CB LYS A 25 -10.525 2.821 3.562 1.00 0.00 C ATOM 337 CG LYS A 25 -10.480 2.175 4.949 1.00 0.00 C ATOM 338 CD LYS A 25 -11.653 2.645 5.811 1.00 0.00 C ATOM 339 CE LYS A 25 -12.968 2.028 5.332 1.00 0.00 C ATOM 340 NZ LYS A 25 -14.018 2.177 6.365 1.00 0.00 N ATOM 0 H LYS A 25 -9.286 4.659 4.678 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.469 2.428 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.197 3.679 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.930 2.112 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.509 1.090 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.540 2.425 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.477 2.372 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.723 3.732 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.288 2.510 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.820 0.972 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.904 1.753 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.718 1.696 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.171 3.187 6.561 1.00 0.00 H new ATOM 354 N SER A 26 -9.747 4.568 1.187 1.00 0.00 N ATOM 355 CA SER A 26 -9.741 4.949 -0.215 1.00 0.00 C ATOM 356 C SER A 26 -8.325 4.834 -0.783 1.00 0.00 C ATOM 357 O SER A 26 -8.090 4.079 -1.725 1.00 0.00 O ATOM 358 CB SER A 26 -10.273 6.372 -0.401 1.00 0.00 C ATOM 359 OG SER A 26 -11.341 6.664 0.496 1.00 0.00 O ATOM 0 H SER A 26 -10.343 5.142 1.783 1.00 0.00 H new ATOM 0 HA SER A 26 -10.399 4.270 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.463 7.085 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.617 6.499 -1.428 1.00 0.00 H new ATOM 0 HG SER A 26 -11.652 7.581 0.347 1.00 0.00 H new ATOM 365 N GLN A 27 -7.419 5.593 -0.185 1.00 0.00 N ATOM 366 CA GLN A 27 -6.032 5.585 -0.620 1.00 0.00 C ATOM 367 C GLN A 27 -5.522 4.148 -0.741 1.00 0.00 C ATOM 368 O GLN A 27 -4.855 3.802 -1.715 1.00 0.00 O ATOM 369 CB GLN A 27 -5.155 6.400 0.332 1.00 0.00 C ATOM 370 CG GLN A 27 -5.430 7.898 0.185 1.00 0.00 C ATOM 371 CD GLN A 27 -5.397 8.598 1.545 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.759 8.154 2.486 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.118 9.714 1.597 1.00 0.00 N ATOM 0 H GLN A 27 -7.618 6.217 0.597 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.977 6.053 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.344 6.091 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.104 6.198 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.687 8.345 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.403 8.049 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.629 10.030 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.160 10.254 2.461 1.00 0.00 H new ATOM 382 N GLN A 28 -5.856 3.349 0.262 1.00 0.00 N ATOM 383 CA GLN A 28 -5.440 1.957 0.280 1.00 0.00 C ATOM 384 C GLN A 28 -6.090 1.194 -0.875 1.00 0.00 C ATOM 385 O GLN A 28 -5.402 0.542 -1.659 1.00 0.00 O ATOM 386 CB GLN A 28 -5.770 1.304 1.623 1.00 0.00 C ATOM 387 CG GLN A 28 -5.249 2.150 2.787 1.00 0.00 C ATOM 388 CD GLN A 28 -5.331 1.378 4.106 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.377 1.287 4.861 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.519 0.829 4.339 1.00 0.00 N ATOM 0 H GLN A 28 -6.410 3.639 1.068 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.358 1.919 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.849 1.178 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.328 0.309 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.216 2.441 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.831 3.069 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.275 0.944 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.674 0.293 5.193 1.00 0.00 H new ATOM 399 N SER A 29 -7.409 1.300 -0.944 1.00 0.00 N ATOM 400 CA SER A 29 -8.161 0.628 -1.991 1.00 0.00 C ATOM 401 C SER A 29 -7.647 1.061 -3.365 1.00 0.00 C ATOM 402 O SER A 29 -7.466 0.231 -4.255 1.00 0.00 O ATOM 403 CB SER A 29 -9.658 0.918 -1.868 1.00 0.00 C ATOM 404 OG SER A 29 -10.404 -0.252 -1.548 1.00 0.00 O ATOM 0 H SER A 29 -7.977 1.841 -0.292 1.00 0.00 H new ATOM 0 HA SER A 29 -8.017 -0.447 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.819 1.672 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.024 1.336 -2.805 1.00 0.00 H new ATOM 0 HG SER A 29 -11.355 -0.025 -1.477 1.00 0.00 H new ATOM 410 N GLU A 30 -7.426 2.361 -3.496 1.00 0.00 N ATOM 411 CA GLU A 30 -6.936 2.915 -4.746 1.00 0.00 C ATOM 412 C GLU A 30 -5.590 2.289 -5.113 1.00 0.00 C ATOM 413 O GLU A 30 -5.484 1.574 -6.109 1.00 0.00 O ATOM 414 CB GLU A 30 -6.829 4.439 -4.666 1.00 0.00 C ATOM 415 CG GLU A 30 -7.818 5.110 -5.621 1.00 0.00 C ATOM 416 CD GLU A 30 -7.192 5.319 -7.002 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.221 4.351 -7.791 1.00 0.00 O ATOM 418 OE2 GLU A 30 -6.698 6.443 -7.236 1.00 0.00 O ATOM 0 H GLU A 30 -7.578 3.047 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.652 2.675 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.024 4.768 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.813 4.749 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.714 4.496 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.131 6.070 -5.211 1.00 0.00 H new ATOM 425 N VAL A 31 -4.594 2.581 -4.290 1.00 0.00 N ATOM 426 CA VAL A 31 -3.258 2.055 -4.515 1.00 0.00 C ATOM 427 C VAL A 31 -3.359 0.604 -4.991 1.00 0.00 C ATOM 428 O VAL A 31 -2.875 0.266 -6.070 1.00 0.00 O ATOM 429 CB VAL A 31 -2.413 2.211 -3.249 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.070 1.493 -3.393 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.211 3.688 -2.903 1.00 0.00 C ATOM 0 H VAL A 31 -4.685 3.175 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.753 2.620 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.955 1.745 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.490 1.620 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.242 0.431 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.520 1.915 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.607 3.771 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.702 4.188 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.180 4.158 -2.736 1.00 0.00 H new ATOM 441 N THR A 32 -3.991 -0.214 -4.162 1.00 0.00 N ATOM 442 CA THR A 32 -4.161 -1.620 -4.485 1.00 0.00 C ATOM 443 C THR A 32 -4.830 -1.777 -5.852 1.00 0.00 C ATOM 444 O THR A 32 -4.453 -2.646 -6.636 1.00 0.00 O ATOM 445 CB THR A 32 -4.946 -2.275 -3.346 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.193 -1.587 -3.343 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.348 -1.968 -1.971 1.00 0.00 C ATOM 0 H THR A 32 -4.391 0.070 -3.268 1.00 0.00 H new ATOM 0 HA THR A 32 -3.199 -2.125 -4.569 1.00 0.00 H new ATOM 0 HB THR A 32 -4.973 -3.354 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.079 -0.702 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.942 -2.456 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.324 -2.338 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.352 -0.891 -1.805 1.00 0.00 H new ATOM 455 N ARG A 33 -5.812 -0.921 -6.096 1.00 0.00 N ATOM 456 CA ARG A 33 -6.537 -0.953 -7.354 1.00 0.00 C ATOM 457 C ARG A 33 -5.569 -0.795 -8.529 1.00 0.00 C ATOM 458 O ARG A 33 -5.520 -1.646 -9.416 1.00 0.00 O ATOM 459 CB ARG A 33 -7.587 0.159 -7.414 1.00 0.00 C ATOM 460 CG ARG A 33 -8.843 -0.312 -8.149 1.00 0.00 C ATOM 461 CD ARG A 33 -9.689 0.878 -8.606 1.00 0.00 C ATOM 462 NE ARG A 33 -10.645 0.448 -9.651 1.00 0.00 N ATOM 463 CZ ARG A 33 -10.287 0.040 -10.875 1.00 0.00 C ATOM 464 NH1 ARG A 33 -8.992 0.003 -11.217 1.00 0.00 N ATOM 465 NH2 ARG A 33 -11.223 -0.332 -11.759 1.00 0.00 N ATOM 0 H ARG A 33 -6.122 -0.201 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.041 -1.917 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.849 0.472 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.171 1.030 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.559 -0.914 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.434 -0.952 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.229 1.298 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.044 1.666 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.639 0.463 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.279 0.286 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.719 -0.308 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.209 -0.304 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.949 -0.643 -12.691 1.00 0.00 H new ATOM 479 N ILE A 34 -4.823 0.299 -8.496 1.00 0.00 N ATOM 480 CA ILE A 34 -3.859 0.579 -9.547 1.00 0.00 C ATOM 481 C ILE A 34 -2.867 -0.581 -9.645 1.00 0.00 C ATOM 482 O ILE A 34 -2.604 -1.087 -10.735 1.00 0.00 O ATOM 483 CB ILE A 34 -3.196 1.939 -9.317 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.244 3.047 -9.196 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.168 2.239 -10.409 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.120 3.775 -7.856 1.00 0.00 C ATOM 0 H ILE A 34 -4.866 1.002 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.359 0.653 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.658 1.901 -8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.122 3.758 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.242 2.620 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.712 3.211 -10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.397 1.469 -10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.662 2.251 -11.380 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.876 4.558 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.266 3.065 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.129 4.221 -7.775 1.00 0.00 H new ATOM 498 N LEU A 35 -2.342 -0.968 -8.492 1.00 0.00 N ATOM 499 CA LEU A 35 -1.384 -2.059 -8.434 1.00 0.00 C ATOM 500 C LEU A 35 -2.005 -3.311 -9.056 1.00 0.00 C ATOM 501 O LEU A 35 -1.388 -3.962 -9.898 1.00 0.00 O ATOM 502 CB LEU A 35 -0.891 -2.264 -7.000 1.00 0.00 C ATOM 503 CG LEU A 35 0.103 -1.225 -6.477 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.446 -1.485 -5.009 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.354 -1.172 -7.357 1.00 0.00 C ATOM 0 H LEU A 35 -2.562 -0.545 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.497 -1.818 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.757 -2.275 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.426 -3.248 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.369 -0.244 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.154 -0.733 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.462 -1.433 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.891 -2.475 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.044 -0.426 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.838 -2.148 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.072 -0.904 -8.375 1.00 0.00 H new ATOM 517 N ASP A 36 -3.219 -3.611 -8.617 1.00 0.00 N ATOM 518 CA ASP A 36 -3.931 -4.773 -9.120 1.00 0.00 C ATOM 519 C ASP A 36 -4.043 -4.678 -10.643 1.00 0.00 C ATOM 520 O ASP A 36 -3.699 -5.620 -11.355 1.00 0.00 O ATOM 521 CB ASP A 36 -5.347 -4.844 -8.545 1.00 0.00 C ATOM 522 CG ASP A 36 -5.580 -5.971 -7.538 1.00 0.00 C ATOM 523 OD1 ASP A 36 -4.568 -6.561 -7.101 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.765 -6.218 -7.226 1.00 0.00 O ATOM 0 H ASP A 36 -3.727 -3.069 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.376 -5.663 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.575 -3.893 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.052 -4.961 -9.368 1.00 0.00 H new ATOM 529 N GLY A 37 -4.525 -3.531 -11.098 1.00 0.00 N ATOM 530 CA GLY A 37 -4.687 -3.299 -12.523 1.00 0.00 C ATOM 531 C GLY A 37 -3.345 -3.396 -13.251 1.00 0.00 C ATOM 532 O GLY A 37 -3.247 -4.034 -14.298 1.00 0.00 O ATOM 0 H GLY A 37 -4.809 -2.752 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.383 -4.029 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.123 -2.314 -12.687 1.00 0.00 H new ATOM 536 N LYS A 38 -2.344 -2.755 -12.666 1.00 0.00 N ATOM 537 CA LYS A 38 -1.011 -2.761 -13.245 1.00 0.00 C ATOM 538 C LYS A 38 -0.435 -4.176 -13.173 1.00 0.00 C ATOM 539 O LYS A 38 0.582 -4.469 -13.800 1.00 0.00 O ATOM 540 CB LYS A 38 -0.131 -1.703 -12.575 1.00 0.00 C ATOM 541 CG LYS A 38 -0.679 -0.296 -12.823 1.00 0.00 C ATOM 542 CD LYS A 38 0.382 0.600 -13.464 1.00 0.00 C ATOM 543 CE LYS A 38 -0.229 1.921 -13.937 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.013 2.100 -15.391 1.00 0.00 N ATOM 0 H LYS A 38 -2.429 -2.228 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.052 -2.487 -14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.080 -1.893 -11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.886 -1.774 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.553 -0.351 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.008 0.141 -11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.177 0.800 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.838 0.083 -14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.297 1.934 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.219 2.752 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.433 3.001 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.007 2.108 -15.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.461 1.316 -15.908 1.00 0.00 H new ATOM 558 N ARG A 39 -1.110 -5.017 -12.403 1.00 0.00 N ATOM 559 CA ARG A 39 -0.677 -6.395 -12.241 1.00 0.00 C ATOM 560 C ARG A 39 0.730 -6.442 -11.642 1.00 0.00 C ATOM 561 O ARG A 39 1.558 -7.251 -12.058 1.00 0.00 O ATOM 562 CB ARG A 39 -0.679 -7.134 -13.581 1.00 0.00 C ATOM 563 CG ARG A 39 -2.094 -7.218 -14.158 1.00 0.00 C ATOM 564 CD ARG A 39 -2.783 -8.517 -13.733 1.00 0.00 C ATOM 565 NE ARG A 39 -3.306 -9.225 -14.923 1.00 0.00 N ATOM 566 CZ ARG A 39 -2.584 -10.065 -15.676 1.00 0.00 C ATOM 567 NH1 ARG A 39 -1.303 -10.308 -15.367 1.00 0.00 N ATOM 568 NH2 ARG A 39 -3.142 -10.663 -16.737 1.00 0.00 N ATOM 0 H ARG A 39 -1.953 -4.771 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.379 -6.886 -11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.025 -6.620 -14.285 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.277 -8.138 -13.447 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.680 -6.364 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.051 -7.164 -15.246 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.078 -9.155 -13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.598 -8.297 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.278 -9.063 -15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.878 -9.853 -14.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.753 -10.948 -15.940 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.117 -10.479 -16.972 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.592 -11.303 -17.310 1.00 0.00 H new ATOM 582 N ILE A 40 0.957 -5.566 -10.675 1.00 0.00 N ATOM 583 CA ILE A 40 2.249 -5.498 -10.015 1.00 0.00 C ATOM 584 C ILE A 40 2.301 -6.540 -8.896 1.00 0.00 C ATOM 585 O ILE A 40 1.319 -6.737 -8.181 1.00 0.00 O ATOM 586 CB ILE A 40 2.534 -4.071 -9.541 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.789 -3.140 -10.727 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.688 -4.048 -8.536 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.808 -1.676 -10.281 1.00 0.00 C ATOM 0 H ILE A 40 0.267 -4.897 -10.333 1.00 0.00 H new ATOM 0 HA ILE A 40 3.048 -5.742 -10.715 1.00 0.00 H new ATOM 0 HB ILE A 40 1.649 -3.699 -9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.740 -3.394 -11.195 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.015 -3.284 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.870 -3.022 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.429 -4.659 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.587 -4.447 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.991 -1.035 -11.144 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.847 -1.419 -9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.599 -1.530 -9.546 1.00 0.00 H new ATOM 601 N GLN A 41 3.455 -7.179 -8.778 1.00 0.00 N ATOM 602 CA GLN A 41 3.648 -8.195 -7.758 1.00 0.00 C ATOM 603 C GLN A 41 3.960 -7.542 -6.410 1.00 0.00 C ATOM 604 O GLN A 41 5.050 -7.008 -6.213 1.00 0.00 O ATOM 605 CB GLN A 41 4.751 -9.175 -8.162 1.00 0.00 C ATOM 606 CG GLN A 41 4.166 -10.543 -8.520 1.00 0.00 C ATOM 607 CD GLN A 41 3.884 -10.643 -10.020 1.00 0.00 C ATOM 608 OE1 GLN A 41 4.752 -10.451 -10.856 1.00 0.00 O ATOM 609 NE2 GLN A 41 2.624 -10.952 -10.314 1.00 0.00 N ATOM 0 H GLN A 41 4.267 -7.013 -9.373 1.00 0.00 H new ATOM 0 HA GLN A 41 2.723 -8.762 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.302 -8.777 -9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.464 -9.283 -7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.861 -11.329 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.244 -10.706 -7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.947 -11.100 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.335 -11.041 -11.288 1.00 0.00 H new ATOM 618 N TYR A 42 2.983 -7.607 -5.517 1.00 0.00 N ATOM 619 CA TYR A 42 3.140 -7.029 -4.194 1.00 0.00 C ATOM 620 C TYR A 42 2.397 -7.855 -3.142 1.00 0.00 C ATOM 621 O TYR A 42 1.626 -8.752 -3.483 1.00 0.00 O ATOM 622 CB TYR A 42 2.513 -5.635 -4.265 1.00 0.00 C ATOM 623 CG TYR A 42 0.985 -5.635 -4.188 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.356 -5.838 -2.976 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.237 -5.432 -5.329 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.082 -5.839 -2.903 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.202 -5.432 -5.256 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.790 -5.635 -4.047 1.00 0.00 C ATOM 629 OH TYR A 42 -3.148 -5.635 -3.978 1.00 0.00 O ATOM 0 H TYR A 42 2.080 -8.051 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 42 4.192 -7.001 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.908 -5.028 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.820 -5.157 -5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.942 -5.996 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.730 -5.273 -6.277 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.587 -5.998 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.800 -5.274 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.521 -5.476 -4.870 1.00 0.00 H new ATOM 639 N GLN A 43 2.655 -7.525 -1.885 1.00 0.00 N ATOM 640 CA GLN A 43 2.020 -8.226 -0.782 1.00 0.00 C ATOM 641 C GLN A 43 1.359 -7.228 0.171 1.00 0.00 C ATOM 642 O GLN A 43 2.023 -6.340 0.703 1.00 0.00 O ATOM 643 CB GLN A 43 3.027 -9.108 -0.041 1.00 0.00 C ATOM 644 CG GLN A 43 2.327 -10.283 0.644 1.00 0.00 C ATOM 645 CD GLN A 43 3.338 -11.344 1.082 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.471 -11.384 0.630 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.868 -12.200 1.985 1.00 0.00 N ATOM 0 H GLN A 43 3.295 -6.782 -1.606 1.00 0.00 H new ATOM 0 HA GLN A 43 1.246 -8.877 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.772 -9.483 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.559 -8.514 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.772 -9.925 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.602 -10.726 -0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.909 -12.111 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.466 -12.946 2.341 1.00 0.00 H new ATOM 656 N LEU A 44 0.060 -7.407 0.357 1.00 0.00 N ATOM 657 CA LEU A 44 -0.698 -6.534 1.237 1.00 0.00 C ATOM 658 C LEU A 44 -0.366 -6.870 2.692 1.00 0.00 C ATOM 659 O LEU A 44 -0.689 -7.956 3.171 1.00 0.00 O ATOM 660 CB LEU A 44 -2.191 -6.611 0.912 1.00 0.00 C ATOM 661 CG LEU A 44 -2.930 -5.274 0.833 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.497 -5.043 -0.569 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.012 -5.181 1.911 1.00 0.00 C ATOM 0 H LEU A 44 -0.487 -8.144 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.415 -5.494 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.309 -7.126 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.676 -7.227 1.669 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.213 -4.476 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.017 -4.086 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.683 -5.036 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.195 -5.843 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.522 -4.221 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.733 -5.987 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.553 -5.269 2.896 1.00 0.00 H new ATOM 675 N VAL A 45 0.275 -5.918 3.354 1.00 0.00 N ATOM 676 CA VAL A 45 0.654 -6.100 4.745 1.00 0.00 C ATOM 677 C VAL A 45 -0.332 -5.346 5.641 1.00 0.00 C ATOM 678 O VAL A 45 -0.324 -4.117 5.682 1.00 0.00 O ATOM 679 CB VAL A 45 2.105 -5.662 4.954 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.429 -5.531 6.443 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.072 -6.627 4.265 1.00 0.00 C ATOM 0 H VAL A 45 0.541 -5.019 2.953 1.00 0.00 H new ATOM 0 HA VAL A 45 0.603 -7.154 5.019 1.00 0.00 H new ATOM 0 HB VAL A 45 2.228 -4.680 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.466 -5.219 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.771 -4.788 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.280 -6.493 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.097 -6.294 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.945 -7.627 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.864 -6.649 3.195 1.00 0.00 H new ATOM 691 N ASP A 46 -1.158 -6.115 6.335 1.00 0.00 N ATOM 692 CA ASP A 46 -2.148 -5.536 7.227 1.00 0.00 C ATOM 693 C ASP A 46 -1.473 -5.137 8.541 1.00 0.00 C ATOM 694 O ASP A 46 -1.114 -5.996 9.344 1.00 0.00 O ATOM 695 CB ASP A 46 -3.254 -6.542 7.551 1.00 0.00 C ATOM 696 CG ASP A 46 -4.344 -6.025 8.491 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.139 -4.924 9.047 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.358 -6.742 8.634 1.00 0.00 O ATOM 0 H ASP A 46 -1.162 -7.134 6.298 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.583 -4.669 6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.720 -6.859 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.800 -7.427 7.997 1.00 0.00 H new ATOM 703 N ILE A 47 -1.321 -3.832 8.718 1.00 0.00 N ATOM 704 CA ILE A 47 -0.695 -3.309 9.921 1.00 0.00 C ATOM 705 C ILE A 47 -1.659 -3.461 11.099 1.00 0.00 C ATOM 706 O ILE A 47 -1.238 -3.771 12.213 1.00 0.00 O ATOM 707 CB ILE A 47 -0.221 -1.871 9.696 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.401 -0.947 9.389 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.852 -1.812 8.607 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.936 0.502 9.229 1.00 0.00 C ATOM 0 H ILE A 47 -1.620 -3.122 8.049 1.00 0.00 H new ATOM 0 HA ILE A 47 0.200 -3.881 10.165 1.00 0.00 H new ATOM 0 HB ILE A 47 0.236 -1.513 10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.897 -1.276 8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.136 -1.010 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.172 -0.779 8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.707 -2.419 8.905 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.443 -2.195 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.794 1.138 9.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.462 0.836 10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.220 0.566 8.410 1.00 0.00 H new ATOM 722 N SER A 48 -2.933 -3.236 10.814 1.00 0.00 N ATOM 723 CA SER A 48 -3.959 -3.345 11.837 1.00 0.00 C ATOM 724 C SER A 48 -3.799 -4.661 12.601 1.00 0.00 C ATOM 725 O SER A 48 -4.278 -4.791 13.727 1.00 0.00 O ATOM 726 CB SER A 48 -5.358 -3.254 11.225 1.00 0.00 C ATOM 727 OG SER A 48 -6.231 -2.441 12.005 1.00 0.00 O ATOM 0 H SER A 48 -3.278 -2.979 9.889 1.00 0.00 H new ATOM 0 HA SER A 48 -3.840 -2.513 12.531 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.287 -2.846 10.217 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.780 -4.255 11.134 1.00 0.00 H new ATOM 0 HG SER A 48 -6.402 -1.599 11.534 1.00 0.00 H new ATOM 733 N GLN A 49 -3.124 -5.603 11.959 1.00 0.00 N ATOM 734 CA GLN A 49 -2.895 -6.903 12.565 1.00 0.00 C ATOM 735 C GLN A 49 -2.207 -6.743 13.922 1.00 0.00 C ATOM 736 O GLN A 49 -2.623 -7.350 14.908 1.00 0.00 O ATOM 737 CB GLN A 49 -2.075 -7.803 11.638 1.00 0.00 C ATOM 738 CG GLN A 49 -2.959 -8.427 10.556 1.00 0.00 C ATOM 739 CD GLN A 49 -3.620 -9.711 11.061 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.267 -10.257 12.094 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.596 -10.161 10.278 1.00 0.00 N ATOM 0 H GLN A 49 -2.728 -5.492 11.025 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.861 -7.383 12.724 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.279 -7.222 11.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.596 -8.590 12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.726 -7.714 10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.359 -8.646 9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.841 -9.655 9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.100 -11.012 10.529 1.00 0.00 H new ATOM 750 N ASP A 50 -1.167 -5.923 13.930 1.00 0.00 N ATOM 751 CA ASP A 50 -0.418 -5.675 15.150 1.00 0.00 C ATOM 752 C ASP A 50 -0.168 -4.172 15.294 1.00 0.00 C ATOM 753 O ASP A 50 -0.482 -3.398 14.391 1.00 0.00 O ATOM 754 CB ASP A 50 0.940 -6.379 15.115 1.00 0.00 C ATOM 755 CG ASP A 50 1.403 -6.959 16.453 1.00 0.00 C ATOM 756 OD1 ASP A 50 0.521 -7.180 17.311 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.628 -7.168 16.588 1.00 0.00 O ATOM 0 H ASP A 50 -0.825 -5.421 13.110 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.001 -6.058 15.987 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.896 -7.185 14.383 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.691 -5.671 14.764 1.00 0.00 H new ATOM 762 N ASN A 51 0.394 -3.805 16.436 1.00 0.00 N ATOM 763 CA ASN A 51 0.689 -2.409 16.710 1.00 0.00 C ATOM 764 C ASN A 51 2.105 -2.087 16.228 1.00 0.00 C ATOM 765 O ASN A 51 2.353 -1.006 15.698 1.00 0.00 O ATOM 766 CB ASN A 51 0.623 -2.116 18.210 1.00 0.00 C ATOM 767 CG ASN A 51 -0.825 -2.120 18.706 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.580 -3.054 18.490 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.168 -1.027 19.381 1.00 0.00 N ATOM 0 H ASN A 51 0.653 -4.450 17.182 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.051 -1.800 16.190 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.200 -2.862 18.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.079 -1.148 18.415 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.113 -0.933 19.754 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.486 -0.282 19.526 1.00 0.00 H new ATOM 776 N ALA A 52 2.996 -3.047 16.428 1.00 0.00 N ATOM 777 CA ALA A 52 4.381 -2.880 16.021 1.00 0.00 C ATOM 778 C ALA A 52 4.435 -2.602 14.517 1.00 0.00 C ATOM 779 O ALA A 52 5.417 -2.054 14.018 1.00 0.00 O ATOM 780 CB ALA A 52 5.183 -4.122 16.414 1.00 0.00 C ATOM 0 H ALA A 52 2.786 -3.943 16.867 1.00 0.00 H new ATOM 0 HA ALA A 52 4.831 -2.028 16.531 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.222 -3.996 16.108 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.137 -4.258 17.494 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.763 -4.998 15.919 1.00 0.00 H new ATOM 786 N LEU A 53 3.367 -2.994 13.836 1.00 0.00 N ATOM 787 CA LEU A 53 3.281 -2.794 12.400 1.00 0.00 C ATOM 788 C LEU A 53 3.288 -1.294 12.096 1.00 0.00 C ATOM 789 O LEU A 53 4.273 -0.767 11.581 1.00 0.00 O ATOM 790 CB LEU A 53 2.068 -3.531 11.828 1.00 0.00 C ATOM 791 CG LEU A 53 2.302 -4.984 11.410 1.00 0.00 C ATOM 792 CD1 LEU A 53 3.271 -5.066 10.229 1.00 0.00 C ATOM 793 CD2 LEU A 53 2.773 -5.827 12.597 1.00 0.00 C ATOM 0 H LEU A 53 2.555 -3.449 14.253 1.00 0.00 H new ATOM 0 HA LEU A 53 4.151 -3.224 11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.272 -3.512 12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.707 -2.978 10.961 1.00 0.00 H new ATOM 0 HG LEU A 53 1.352 -5.400 11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.420 -6.110 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.857 -4.521 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.227 -4.626 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.932 -6.855 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.707 -5.420 12.984 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.016 -5.807 13.381 1.00 0.00 H new ATOM 805 N ARG A 54 2.179 -0.650 12.428 1.00 0.00 N ATOM 806 CA ARG A 54 2.045 0.778 12.198 1.00 0.00 C ATOM 807 C ARG A 54 3.379 1.484 12.452 1.00 0.00 C ATOM 808 O ARG A 54 3.917 2.140 11.563 1.00 0.00 O ATOM 809 CB ARG A 54 0.974 1.384 13.105 1.00 0.00 C ATOM 810 CG ARG A 54 0.763 2.867 12.791 1.00 0.00 C ATOM 811 CD ARG A 54 -0.297 3.477 13.709 1.00 0.00 C ATOM 812 NE ARG A 54 0.305 3.827 15.015 1.00 0.00 N ATOM 813 CZ ARG A 54 -0.399 4.221 16.085 1.00 0.00 C ATOM 814 NH1 ARG A 54 -1.733 4.319 16.011 1.00 0.00 N ATOM 815 NH2 ARG A 54 0.232 4.518 17.229 1.00 0.00 N ATOM 0 H ARG A 54 1.364 -1.091 12.855 1.00 0.00 H new ATOM 0 HA ARG A 54 1.747 0.920 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.036 0.844 12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.268 1.268 14.148 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.704 3.405 12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.458 2.982 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.723 4.367 13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.115 2.771 13.854 1.00 0.00 H new ATOM 0 HE ARG A 54 1.319 3.764 15.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.213 4.094 15.140 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.268 4.619 16.826 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.248 4.444 17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.303 4.818 18.044 1.00 0.00 H new ATOM 829 N ASP A 55 3.873 1.324 13.671 1.00 0.00 N ATOM 830 CA ASP A 55 5.133 1.938 14.054 1.00 0.00 C ATOM 831 C ASP A 55 6.211 1.558 13.037 1.00 0.00 C ATOM 832 O ASP A 55 6.818 2.428 12.416 1.00 0.00 O ATOM 833 CB ASP A 55 5.588 1.449 15.431 1.00 0.00 C ATOM 834 CG ASP A 55 6.486 2.422 16.198 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.865 3.445 15.589 1.00 0.00 O ATOM 836 OD2 ASP A 55 6.773 2.119 17.377 1.00 0.00 O ATOM 0 H ASP A 55 3.424 0.778 14.406 1.00 0.00 H new ATOM 0 HA ASP A 55 4.986 3.018 14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.705 1.239 16.035 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.121 0.506 15.307 1.00 0.00 H new ATOM 841 N GLU A 56 6.415 0.256 12.899 1.00 0.00 N ATOM 842 CA GLU A 56 7.409 -0.251 11.968 1.00 0.00 C ATOM 843 C GLU A 56 7.345 0.523 10.650 1.00 0.00 C ATOM 844 O GLU A 56 8.364 1.007 10.160 1.00 0.00 O ATOM 845 CB GLU A 56 7.225 -1.751 11.733 1.00 0.00 C ATOM 846 CG GLU A 56 8.194 -2.564 12.594 1.00 0.00 C ATOM 847 CD GLU A 56 7.656 -3.975 12.843 1.00 0.00 C ATOM 848 OE1 GLU A 56 6.610 -4.071 13.521 1.00 0.00 O ATOM 849 OE2 GLU A 56 8.302 -4.924 12.350 1.00 0.00 O ATOM 0 H GLU A 56 5.909 -0.463 13.416 1.00 0.00 H new ATOM 0 HA GLU A 56 8.397 -0.104 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.199 -2.036 11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.388 -1.980 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.164 -2.623 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.352 -2.058 13.546 1.00 0.00 H new ATOM 856 N MET A 57 6.137 0.615 10.113 1.00 0.00 N ATOM 857 CA MET A 57 5.927 1.322 8.861 1.00 0.00 C ATOM 858 C MET A 57 6.376 2.780 8.972 1.00 0.00 C ATOM 859 O MET A 57 7.011 3.309 8.061 1.00 0.00 O ATOM 860 CB MET A 57 4.443 1.272 8.490 1.00 0.00 C ATOM 861 CG MET A 57 4.182 2.009 7.175 1.00 0.00 C ATOM 862 SD MET A 57 2.497 2.596 7.128 1.00 0.00 S ATOM 863 CE MET A 57 2.542 3.773 8.469 1.00 0.00 C ATOM 0 H MET A 57 5.294 0.212 10.522 1.00 0.00 H new ATOM 0 HA MET A 57 6.522 0.837 8.087 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.122 0.234 8.400 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.850 1.721 9.287 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.871 2.848 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.367 1.343 6.332 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.885 4.612 8.239 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.207 3.291 9.387 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.561 4.136 8.601 1.00 0.00 H new ATOM 873 N ARG A 58 6.030 3.389 10.097 1.00 0.00 N ATOM 874 CA ARG A 58 6.390 4.775 10.340 1.00 0.00 C ATOM 875 C ARG A 58 7.910 4.944 10.300 1.00 0.00 C ATOM 876 O ARG A 58 8.421 5.854 9.649 1.00 0.00 O ATOM 877 CB ARG A 58 5.866 5.252 11.696 1.00 0.00 C ATOM 878 CG ARG A 58 4.381 5.613 11.614 1.00 0.00 C ATOM 879 CD ARG A 58 3.694 5.418 12.967 1.00 0.00 C ATOM 880 NE ARG A 58 2.293 5.891 12.896 1.00 0.00 N ATOM 881 CZ ARG A 58 1.540 6.172 13.968 1.00 0.00 C ATOM 882 NH1 ARG A 58 2.048 6.030 15.200 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.279 6.596 13.808 1.00 0.00 N ATOM 0 H ARG A 58 5.504 2.947 10.851 1.00 0.00 H new ATOM 0 HA ARG A 58 5.933 5.378 9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.013 4.471 12.442 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.437 6.120 12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.272 6.649 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.893 4.993 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.717 4.365 13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.233 5.966 13.740 1.00 0.00 H new ATOM 0 HE ARG A 58 1.875 6.010 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.008 5.708 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.475 6.244 16.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.107 6.705 12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.295 6.810 14.624 1.00 0.00 H new ATOM 897 N THR A 59 8.591 4.052 11.006 1.00 0.00 N ATOM 898 CA THR A 59 10.042 4.091 11.060 1.00 0.00 C ATOM 899 C THR A 59 10.632 3.922 9.658 1.00 0.00 C ATOM 900 O THR A 59 11.572 4.624 9.288 1.00 0.00 O ATOM 901 CB THR A 59 10.507 3.019 12.048 1.00 0.00 C ATOM 902 OG1 THR A 59 10.333 3.626 13.325 1.00 0.00 O ATOM 903 CG2 THR A 59 12.012 2.757 11.962 1.00 0.00 C ATOM 0 H THR A 59 8.164 3.299 11.545 1.00 0.00 H new ATOM 0 HA THR A 59 10.399 5.058 11.415 1.00 0.00 H new ATOM 0 HB THR A 59 9.966 2.092 11.859 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.609 2.999 14.026 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.289 1.988 12.684 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.266 2.420 10.957 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.555 3.676 12.184 1.00 0.00 H new ATOM 911 N LEU A 60 10.057 2.987 8.917 1.00 0.00 N ATOM 912 CA LEU A 60 10.514 2.717 7.565 1.00 0.00 C ATOM 913 C LEU A 60 10.309 3.964 6.703 1.00 0.00 C ATOM 914 O LEU A 60 11.243 4.437 6.057 1.00 0.00 O ATOM 915 CB LEU A 60 9.832 1.465 7.008 1.00 0.00 C ATOM 916 CG LEU A 60 10.233 0.138 7.655 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.146 -0.920 7.456 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.594 -0.334 7.140 1.00 0.00 C ATOM 0 H LEU A 60 9.278 2.406 9.228 1.00 0.00 H new ATOM 0 HA LEU A 60 11.582 2.498 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.754 1.586 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.044 1.405 5.941 1.00 0.00 H new ATOM 0 HG LEU A 60 10.333 0.298 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.456 -1.853 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.217 -0.577 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.989 -1.085 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.855 -1.279 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.546 -0.472 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.352 0.413 7.377 1.00 0.00 H new ATOM 930 N ALA A 61 9.081 4.462 6.722 1.00 0.00 N ATOM 931 CA ALA A 61 8.742 5.645 5.950 1.00 0.00 C ATOM 932 C ALA A 61 9.683 6.788 6.336 1.00 0.00 C ATOM 933 O ALA A 61 10.356 7.358 5.479 1.00 0.00 O ATOM 934 CB ALA A 61 7.271 5.999 6.179 1.00 0.00 C ATOM 0 H ALA A 61 8.309 4.068 7.260 1.00 0.00 H new ATOM 0 HA ALA A 61 8.871 5.458 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.016 6.887 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.643 5.166 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.105 6.197 7.238 1.00 0.00 H new ATOM 940 N GLY A 62 9.699 7.088 7.626 1.00 0.00 N ATOM 941 CA GLY A 62 10.547 8.153 8.136 1.00 0.00 C ATOM 942 C GLY A 62 9.713 9.238 8.819 1.00 0.00 C ATOM 943 O GLY A 62 9.993 10.426 8.671 1.00 0.00 O ATOM 0 H GLY A 62 9.139 6.613 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.266 7.742 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.119 8.590 7.318 1.00 0.00 H new ATOM 947 N ASN A 63 8.705 8.790 9.553 1.00 0.00 N ATOM 948 CA ASN A 63 7.828 9.708 10.260 1.00 0.00 C ATOM 949 C ASN A 63 6.911 8.915 11.193 1.00 0.00 C ATOM 950 O ASN A 63 6.306 7.926 10.782 1.00 0.00 O ATOM 951 CB ASN A 63 6.946 10.490 9.283 1.00 0.00 C ATOM 952 CG ASN A 63 6.518 11.830 9.884 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.323 12.610 10.366 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.208 12.053 9.829 1.00 0.00 N ATOM 0 H ASN A 63 8.476 7.803 9.673 1.00 0.00 H new ATOM 0 HA ASN A 63 8.451 10.405 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.489 10.661 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.064 9.901 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.822 12.919 10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.589 11.358 9.412 1.00 0.00 H new ATOM 961 N PRO A 64 6.836 9.390 12.465 1.00 0.00 N ATOM 962 CA PRO A 64 6.004 8.736 13.461 1.00 0.00 C ATOM 963 C PRO A 64 4.523 9.040 13.223 1.00 0.00 C ATOM 964 O PRO A 64 3.660 8.217 13.525 1.00 0.00 O ATOM 965 CB PRO A 64 6.509 9.254 14.797 1.00 0.00 C ATOM 966 CG PRO A 64 7.287 10.522 14.486 1.00 0.00 C ATOM 967 CD PRO A 64 7.539 10.559 12.988 1.00 0.00 C ATOM 0 HA PRO A 64 6.073 7.649 13.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.680 9.461 15.474 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.144 8.516 15.287 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.725 11.401 14.800 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.230 10.535 15.032 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.160 11.480 12.545 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.605 10.513 12.764 1.00 0.00 H new ATOM 975 N LYS A 65 4.275 10.225 12.683 1.00 0.00 N ATOM 976 CA LYS A 65 2.913 10.647 12.401 1.00 0.00 C ATOM 977 C LYS A 65 2.562 10.290 10.955 1.00 0.00 C ATOM 978 O LYS A 65 1.898 11.062 10.265 1.00 0.00 O ATOM 979 CB LYS A 65 2.735 12.131 12.728 1.00 0.00 C ATOM 980 CG LYS A 65 2.921 12.389 14.225 1.00 0.00 C ATOM 981 CD LYS A 65 1.580 12.678 14.902 1.00 0.00 C ATOM 982 CE LYS A 65 1.578 12.180 16.349 1.00 0.00 C ATOM 983 NZ LYS A 65 0.824 13.111 17.217 1.00 0.00 N ATOM 0 H LYS A 65 4.993 10.905 12.434 1.00 0.00 H new ATOM 0 HA LYS A 65 2.209 10.115 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.456 12.721 12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.742 12.458 12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.389 11.522 14.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.596 13.233 14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.382 13.750 14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.776 12.195 14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.132 11.187 16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.603 12.087 16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.833 12.758 18.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.267 14.052 17.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.158 13.179 16.882 1.00 0.00 H new ATOM 997 N ALA A 66 3.023 9.119 10.540 1.00 0.00 N ATOM 998 CA ALA A 66 2.765 8.649 9.190 1.00 0.00 C ATOM 999 C ALA A 66 1.517 7.765 9.191 1.00 0.00 C ATOM 1000 O ALA A 66 1.092 7.286 10.241 1.00 0.00 O ATOM 1001 CB ALA A 66 3.999 7.916 8.660 1.00 0.00 C ATOM 0 H ALA A 66 3.574 8.482 11.115 1.00 0.00 H new ATOM 0 HA ALA A 66 2.573 9.489 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.805 7.563 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.850 8.597 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.221 7.065 9.304 1.00 0.00 H new ATOM 1007 N THR A 67 0.965 7.574 8.002 1.00 0.00 N ATOM 1008 CA THR A 67 -0.226 6.755 7.853 1.00 0.00 C ATOM 1009 C THR A 67 -0.229 6.061 6.489 1.00 0.00 C ATOM 1010 O THR A 67 0.477 6.481 5.573 1.00 0.00 O ATOM 1011 CB THR A 67 -1.446 7.649 8.082 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.263 8.727 7.168 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.431 8.320 9.457 1.00 0.00 C ATOM 0 H THR A 67 1.320 7.972 7.133 1.00 0.00 H new ATOM 0 HA THR A 67 -0.249 5.953 8.591 1.00 0.00 H new ATOM 0 HB THR A 67 -2.355 7.056 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.011 9.355 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.319 8.943 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.424 7.556 10.235 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.539 8.940 9.550 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.052 4.983 6.395 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.156 4.227 5.158 1.00 0.00 C ATOM 1023 C PRO A 68 -1.978 4.989 4.117 1.00 0.00 C ATOM 1024 O PRO A 68 -2.639 5.974 4.442 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.787 2.903 5.559 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.436 3.143 6.912 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.903 4.457 7.458 1.00 0.00 C ATOM 0 HA PRO A 68 -0.189 4.065 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.525 2.583 4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.036 2.115 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.521 3.183 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.208 2.325 7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.714 5.146 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.338 4.304 8.378 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.907 4.492 2.853 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.100 3.321 2.553 1.00 0.00 C ATOM 1037 C PRO A 69 0.389 3.672 2.536 1.00 0.00 C ATOM 1038 O PRO A 69 0.765 4.812 2.803 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.610 2.826 1.210 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.357 3.995 0.590 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.591 5.029 1.680 1.00 0.00 C ATOM 0 HA PRO A 69 -1.191 2.542 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.785 2.508 0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.267 1.965 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.780 4.426 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.306 3.662 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.188 6.001 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.655 5.169 1.871 1.00 0.00 H new ATOM 1049 N GLN A 70 1.196 2.670 2.218 1.00 0.00 N ATOM 1050 CA GLN A 70 2.636 2.858 2.163 1.00 0.00 C ATOM 1051 C GLN A 70 3.277 1.788 1.277 1.00 0.00 C ATOM 1052 O GLN A 70 3.251 0.604 1.610 1.00 0.00 O ATOM 1053 CB GLN A 70 3.245 2.846 3.566 1.00 0.00 C ATOM 1054 CG GLN A 70 4.092 4.097 3.807 1.00 0.00 C ATOM 1055 CD GLN A 70 3.365 5.082 4.725 1.00 0.00 C ATOM 1056 OE1 GLN A 70 3.495 5.051 5.938 1.00 0.00 O ATOM 1057 NE2 GLN A 70 2.596 5.955 4.081 1.00 0.00 N ATOM 0 H GLN A 70 0.880 1.726 1.996 1.00 0.00 H new ATOM 0 HA GLN A 70 2.839 3.835 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.451 2.791 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.861 1.956 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.046 3.815 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.315 4.578 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.533 5.925 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.070 6.654 4.605 1.00 0.00 H new ATOM 1066 N ILE A 71 3.838 2.243 0.166 1.00 0.00 N ATOM 1067 CA ILE A 71 4.485 1.339 -0.770 1.00 0.00 C ATOM 1068 C ILE A 71 5.944 1.143 -0.357 1.00 0.00 C ATOM 1069 O ILE A 71 6.649 2.110 -0.074 1.00 0.00 O ATOM 1070 CB ILE A 71 4.315 1.843 -2.205 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.839 2.079 -2.532 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.977 0.890 -3.202 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.514 3.574 -2.551 1.00 0.00 C ATOM 0 H ILE A 71 3.858 3.226 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 71 4.011 0.358 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 71 4.822 2.804 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.603 1.639 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.214 1.577 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.842 1.271 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.042 0.815 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.520 -0.096 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.459 3.714 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.728 4.005 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.123 4.069 -3.307 1.00 0.00 H new ATOM 1085 N VAL A 72 6.355 -0.117 -0.334 1.00 0.00 N ATOM 1086 CA VAL A 72 7.718 -0.453 0.040 1.00 0.00 C ATOM 1087 C VAL A 72 8.271 -1.490 -0.940 1.00 0.00 C ATOM 1088 O VAL A 72 7.551 -2.393 -1.364 1.00 0.00 O ATOM 1089 CB VAL A 72 7.760 -0.923 1.495 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.196 -0.943 2.024 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.863 -0.054 2.379 1.00 0.00 C ATOM 0 H VAL A 72 5.768 -0.917 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 72 8.359 0.426 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 72 7.376 -1.943 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.197 -1.281 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.797 -1.623 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.618 0.060 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.912 -0.410 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.203 0.981 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.834 -0.113 2.023 1.00 0.00 H new ATOM 1101 N ASN A 73 9.543 -1.326 -1.271 1.00 0.00 N ATOM 1102 CA ASN A 73 10.200 -2.237 -2.192 1.00 0.00 C ATOM 1103 C ASN A 73 11.343 -2.952 -1.469 1.00 0.00 C ATOM 1104 O ASN A 73 12.386 -2.355 -1.207 1.00 0.00 O ATOM 1105 CB ASN A 73 10.793 -1.482 -3.383 1.00 0.00 C ATOM 1106 CG ASN A 73 10.913 -2.394 -4.606 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.648 -3.368 -4.617 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.152 -2.025 -5.633 1.00 0.00 N ATOM 0 H ASN A 73 10.136 -0.575 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 73 9.456 -2.949 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.164 -0.625 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.776 -1.092 -3.118 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.161 -2.569 -6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.559 -1.198 -5.557 1.00 0.00 H new ATOM 1115 N GLY A 74 11.108 -4.220 -1.166 1.00 0.00 N ATOM 1116 CA GLY A 74 12.105 -5.022 -0.477 1.00 0.00 C ATOM 1117 C GLY A 74 12.517 -4.370 0.844 1.00 0.00 C ATOM 1118 O GLY A 74 11.967 -4.690 1.896 1.00 0.00 O ATOM 0 H GLY A 74 10.242 -4.712 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.706 -6.018 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.981 -5.146 -1.114 1.00 0.00 H new ATOM 1122 N ASN A 75 13.481 -3.466 0.746 1.00 0.00 N ATOM 1123 CA ASN A 75 13.973 -2.766 1.920 1.00 0.00 C ATOM 1124 C ASN A 75 14.060 -1.269 1.616 1.00 0.00 C ATOM 1125 O ASN A 75 14.788 -0.538 2.286 1.00 0.00 O ATOM 1126 CB ASN A 75 15.372 -3.252 2.305 1.00 0.00 C ATOM 1127 CG ASN A 75 15.344 -4.001 3.639 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.252 -3.417 4.707 1.00 0.00 O ATOM 1129 ND2 ASN A 75 15.427 -5.323 3.520 1.00 0.00 N ATOM 0 H ASN A 75 13.934 -3.202 -0.129 1.00 0.00 H new ATOM 0 HA ASN A 75 13.284 -2.961 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.761 -3.906 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.050 -2.401 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.416 -5.912 4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.502 -5.748 2.596 1.00 0.00 H new ATOM 1136 N HIS A 76 13.307 -0.858 0.607 1.00 0.00 N ATOM 1137 CA HIS A 76 13.289 0.539 0.207 1.00 0.00 C ATOM 1138 C HIS A 76 11.897 1.125 0.451 1.00 0.00 C ATOM 1139 O HIS A 76 10.910 0.393 0.493 1.00 0.00 O ATOM 1140 CB HIS A 76 13.753 0.695 -1.243 1.00 0.00 C ATOM 1141 CG HIS A 76 15.092 0.060 -1.531 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.282 0.562 -1.032 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.418 -1.039 -2.269 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.272 -0.209 -1.458 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.734 -1.200 -2.225 1.00 0.00 N ATOM 0 H HIS A 76 12.705 -1.468 0.054 1.00 0.00 H new ATOM 0 HA HIS A 76 13.995 1.104 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.005 0.255 -1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.806 1.757 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.722 -1.672 -2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.321 -0.076 -1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.257 -1.943 -2.689 1.00 0.00 H new ATOM 1153 N TYR A 77 11.863 2.441 0.604 1.00 0.00 N ATOM 1154 CA TYR A 77 10.608 3.134 0.843 1.00 0.00 C ATOM 1155 C TYR A 77 10.218 3.992 -0.363 1.00 0.00 C ATOM 1156 O TYR A 77 10.812 5.043 -0.599 1.00 0.00 O ATOM 1157 CB TYR A 77 10.853 4.047 2.046 1.00 0.00 C ATOM 1158 CG TYR A 77 9.696 5.001 2.348 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.420 4.505 2.521 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.928 6.358 2.448 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.331 5.403 2.806 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.839 7.256 2.732 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.594 6.734 2.897 1.00 0.00 C ATOM 1164 OH TYR A 77 6.565 7.583 3.166 1.00 0.00 O ATOM 0 H TYR A 77 12.684 3.045 0.567 1.00 0.00 H new ATOM 0 HA TYR A 77 9.802 2.421 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.041 3.430 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.756 4.632 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.238 3.443 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.927 6.746 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.328 5.028 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.007 8.320 2.812 1.00 0.00 H new ATOM 0 HH TYR A 77 6.901 8.503 3.203 1.00 0.00 H new ATOM 1174 N CYS A 78 9.223 3.511 -1.094 1.00 0.00 N ATOM 1175 CA CYS A 78 8.747 4.221 -2.269 1.00 0.00 C ATOM 1176 C CYS A 78 8.207 5.581 -1.823 1.00 0.00 C ATOM 1177 O CYS A 78 8.785 6.618 -2.145 1.00 0.00 O ATOM 1178 CB CYS A 78 7.696 3.412 -3.031 1.00 0.00 C ATOM 1179 SG CYS A 78 8.338 1.737 -3.396 1.00 0.00 S ATOM 0 H CYS A 78 8.734 2.638 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 78 9.572 4.370 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.783 3.340 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.436 3.921 -3.959 1.00 0.00 H new ATOM 0 HG CYS A 78 8.072 0.944 -2.401 1.00 0.00 H new ATOM 1185 N GLY A 79 7.106 5.533 -1.087 1.00 0.00 N ATOM 1186 CA GLY A 79 6.482 6.748 -0.594 1.00 0.00 C ATOM 1187 C GLY A 79 5.070 6.468 -0.074 1.00 0.00 C ATOM 1188 O GLY A 79 4.790 5.373 0.411 1.00 0.00 O ATOM 0 H GLY A 79 6.630 4.671 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.089 7.175 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.439 7.489 -1.393 1.00 0.00 H new ATOM 1192 N ASP A 80 4.219 7.477 -0.194 1.00 0.00 N ATOM 1193 CA ASP A 80 2.844 7.352 0.258 1.00 0.00 C ATOM 1194 C ASP A 80 1.907 7.427 -0.949 1.00 0.00 C ATOM 1195 O ASP A 80 2.350 7.676 -2.070 1.00 0.00 O ATOM 1196 CB ASP A 80 2.473 8.487 1.214 1.00 0.00 C ATOM 1197 CG ASP A 80 2.424 9.878 0.579 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.079 10.046 -0.472 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.732 10.743 1.159 1.00 0.00 O ATOM 0 H ASP A 80 4.455 8.384 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 80 2.744 6.398 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.499 8.269 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.193 8.503 2.032 1.00 0.00 H new ATOM 1204 N TYR A 81 0.628 7.207 -0.680 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.375 7.246 -1.731 1.00 0.00 C ATOM 1206 C TYR A 81 -0.168 8.457 -2.642 1.00 0.00 C ATOM 1207 O TYR A 81 -0.308 8.353 -3.860 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.724 7.382 -1.021 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.876 7.778 -1.945 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.076 9.104 -2.270 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.717 6.809 -2.454 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.161 9.477 -3.141 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.802 7.182 -3.324 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.970 8.497 -3.625 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.995 8.849 -4.446 1.00 0.00 O ATOM 0 H TYR A 81 0.264 7.001 0.250 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.316 6.351 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.967 6.435 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.633 8.127 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.419 9.863 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.561 5.771 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.328 10.511 -3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.468 6.434 -3.728 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.488 8.046 -4.716 1.00 0.00 H new ATOM 1225 N GLU A 82 0.164 9.577 -2.018 1.00 0.00 N ATOM 1226 CA GLU A 82 0.392 10.807 -2.758 1.00 0.00 C ATOM 1227 C GLU A 82 1.471 10.594 -3.822 1.00 0.00 C ATOM 1228 O GLU A 82 1.195 10.681 -5.017 1.00 0.00 O ATOM 1229 CB GLU A 82 0.769 11.952 -1.816 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.422 12.362 -0.947 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.801 13.824 -1.192 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.236 14.684 -0.482 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -1.647 14.049 -2.085 1.00 0.00 O ATOM 0 H GLU A 82 0.281 9.659 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.535 11.084 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.600 11.646 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.111 12.808 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.275 11.720 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.176 12.218 0.105 1.00 0.00 H new ATOM 1240 N LEU A 83 2.677 10.318 -3.348 1.00 0.00 N ATOM 1241 CA LEU A 83 3.799 10.092 -4.244 1.00 0.00 C ATOM 1242 C LEU A 83 3.371 9.134 -5.357 1.00 0.00 C ATOM 1243 O LEU A 83 3.651 9.376 -6.531 1.00 0.00 O ATOM 1244 CB LEU A 83 5.023 9.616 -3.459 1.00 0.00 C ATOM 1245 CG LEU A 83 6.074 10.682 -3.145 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.413 12.007 -2.762 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.046 10.194 -2.069 1.00 0.00 C ATOM 0 H LEU A 83 2.902 10.246 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 83 4.099 11.024 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.681 9.183 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.503 8.816 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 83 6.658 10.862 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.182 12.748 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.796 12.358 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.789 11.861 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.783 10.971 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.495 9.968 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.554 9.295 -2.418 1.00 0.00 H new ATOM 1259 N PHE A 84 2.700 8.066 -4.951 1.00 0.00 N ATOM 1260 CA PHE A 84 2.232 7.071 -5.900 1.00 0.00 C ATOM 1261 C PHE A 84 1.427 7.723 -7.026 1.00 0.00 C ATOM 1262 O PHE A 84 1.702 7.493 -8.203 1.00 0.00 O ATOM 1263 CB PHE A 84 1.322 6.112 -5.129 1.00 0.00 C ATOM 1264 CG PHE A 84 1.116 4.761 -5.818 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.113 3.836 -5.815 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.065 4.485 -6.434 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.922 2.583 -6.454 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.256 3.232 -7.074 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.741 2.307 -7.070 1.00 0.00 C ATOM 0 H PHE A 84 2.469 7.868 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 84 3.081 6.556 -6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.745 5.943 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.351 6.586 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.051 4.055 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.857 5.219 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.714 1.849 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.193 3.013 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.595 1.354 -7.556 1.00 0.00 H new ATOM 1279 N VAL A 85 0.451 8.524 -6.626 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.395 9.211 -7.587 1.00 0.00 C ATOM 1281 C VAL A 85 0.470 10.113 -8.468 1.00 0.00 C ATOM 1282 O VAL A 85 0.351 10.090 -9.692 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.504 9.973 -6.858 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.216 11.475 -6.841 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.870 9.682 -7.481 1.00 0.00 C ATOM 0 H VAL A 85 0.227 8.713 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.889 8.493 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.527 9.625 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.019 11.994 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.271 11.659 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.152 11.845 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.640 10.236 -6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.865 9.988 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.079 8.614 -7.416 1.00 0.00 H new ATOM 1295 N GLU A 86 1.323 10.886 -7.812 1.00 0.00 N ATOM 1296 CA GLU A 86 2.208 11.795 -8.520 1.00 0.00 C ATOM 1297 C GLU A 86 2.877 11.077 -9.694 1.00 0.00 C ATOM 1298 O GLU A 86 2.851 11.566 -10.822 1.00 0.00 O ATOM 1299 CB GLU A 86 3.253 12.391 -7.575 1.00 0.00 C ATOM 1300 CG GLU A 86 2.622 13.427 -6.643 1.00 0.00 C ATOM 1301 CD GLU A 86 3.058 14.844 -7.024 1.00 0.00 C ATOM 1302 OE1 GLU A 86 3.064 15.128 -8.241 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.375 15.610 -6.089 1.00 0.00 O ATOM 0 H GLU A 86 1.420 10.901 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 86 1.612 12.618 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.710 11.597 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.050 12.856 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.536 13.351 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.910 13.218 -5.613 1.00 0.00 H new ATOM 1310 N ALA A 87 3.460 9.927 -9.388 1.00 0.00 N ATOM 1311 CA ALA A 87 4.134 9.136 -10.404 1.00 0.00 C ATOM 1312 C ALA A 87 3.097 8.580 -11.383 1.00 0.00 C ATOM 1313 O ALA A 87 3.159 8.856 -12.580 1.00 0.00 O ATOM 1314 CB ALA A 87 4.952 8.032 -9.732 1.00 0.00 C ATOM 0 H ALA A 87 3.480 9.524 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 87 4.827 9.754 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.458 7.439 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.693 8.480 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.289 7.389 -9.152 1.00 0.00 H new ATOM 1320 N VAL A 88 2.169 7.808 -10.837 1.00 0.00 N ATOM 1321 CA VAL A 88 1.121 7.211 -11.647 1.00 0.00 C ATOM 1322 C VAL A 88 0.638 8.231 -12.681 1.00 0.00 C ATOM 1323 O VAL A 88 0.573 7.930 -13.872 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.003 6.693 -10.749 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.294 6.494 -11.546 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.411 5.399 -10.044 1.00 0.00 C ATOM 0 H VAL A 88 2.121 7.582 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 88 1.505 6.350 -12.194 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.194 7.445 -9.984 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.077 6.125 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.604 7.445 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.122 5.770 -12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.406 5.052 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.643 4.637 -10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.292 5.585 -9.429 1.00 0.00 H new ATOM 1336 N GLU A 89 0.313 9.417 -12.187 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.162 10.483 -13.053 1.00 0.00 C ATOM 1338 C GLU A 89 0.909 10.847 -14.084 1.00 0.00 C ATOM 1339 O GLU A 89 0.603 11.048 -15.258 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.576 11.709 -12.237 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.761 11.385 -11.325 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.944 12.312 -11.612 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.409 12.296 -12.772 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.356 13.017 -10.666 1.00 0.00 O ATOM 0 H GLU A 89 0.369 9.663 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.044 10.126 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.267 12.052 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.842 12.525 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.063 10.348 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.460 11.486 -10.282 1.00 0.00 H new ATOM 1351 N GLN A 90 2.143 10.920 -13.607 1.00 0.00 N ATOM 1352 CA GLN A 90 3.261 11.256 -14.472 1.00 0.00 C ATOM 1353 C GLN A 90 3.700 10.028 -15.273 1.00 0.00 C ATOM 1354 O GLN A 90 4.667 10.090 -16.030 1.00 0.00 O ATOM 1355 CB GLN A 90 4.427 11.829 -13.664 1.00 0.00 C ATOM 1356 CG GLN A 90 4.079 13.209 -13.102 1.00 0.00 C ATOM 1357 CD GLN A 90 3.897 14.229 -14.228 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.825 14.584 -14.935 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.651 14.678 -14.354 1.00 0.00 N ATOM 0 H GLN A 90 2.393 10.752 -12.632 1.00 0.00 H new ATOM 0 HA GLN A 90 2.935 12.025 -15.172 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.675 11.152 -12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.311 11.903 -14.297 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.164 13.146 -12.512 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.869 13.542 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.921 14.339 -13.728 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.426 15.362 -15.077 1.00 0.00 H new ATOM 1368 N ASP A 91 2.968 8.941 -15.077 1.00 0.00 N ATOM 1369 CA ASP A 91 3.270 7.701 -15.772 1.00 0.00 C ATOM 1370 C ASP A 91 4.685 7.248 -15.406 1.00 0.00 C ATOM 1371 O ASP A 91 5.315 6.502 -16.155 1.00 0.00 O ATOM 1372 CB ASP A 91 3.211 7.891 -17.289 1.00 0.00 C ATOM 1373 CG ASP A 91 1.842 8.295 -17.837 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.057 8.859 -17.044 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.610 8.032 -19.037 1.00 0.00 O ATOM 0 H ASP A 91 2.167 8.893 -14.447 1.00 0.00 H new ATOM 0 HA ASP A 91 2.530 6.958 -15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.938 8.652 -17.573 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.518 6.962 -17.769 1.00 0.00 H new ATOM 1380 N THR A 92 5.144 7.718 -14.256 1.00 0.00 N ATOM 1381 CA THR A 92 6.473 7.371 -13.782 1.00 0.00 C ATOM 1382 C THR A 92 6.381 6.441 -12.570 1.00 0.00 C ATOM 1383 O THR A 92 7.276 6.425 -11.727 1.00 0.00 O ATOM 1384 CB THR A 92 7.227 8.671 -13.495 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.305 9.447 -12.735 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.462 9.502 -14.757 1.00 0.00 C ATOM 0 H THR A 92 4.619 8.337 -13.638 1.00 0.00 H new ATOM 0 HA THR A 92 7.030 6.816 -14.537 1.00 0.00 H new ATOM 0 HB THR A 92 8.185 8.439 -13.029 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.714 10.307 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.001 10.413 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.050 8.923 -15.469 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.503 9.762 -15.205 1.00 0.00 H new ATOM 1394 N LEU A 93 5.291 5.690 -12.522 1.00 0.00 N ATOM 1395 CA LEU A 93 5.070 4.760 -11.427 1.00 0.00 C ATOM 1396 C LEU A 93 6.219 3.750 -11.383 1.00 0.00 C ATOM 1397 O LEU A 93 6.550 3.229 -10.319 1.00 0.00 O ATOM 1398 CB LEU A 93 3.688 4.115 -11.543 1.00 0.00 C ATOM 1399 CG LEU A 93 3.313 3.130 -10.434 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.619 3.715 -9.054 1.00 0.00 C ATOM 1401 CD2 LEU A 93 1.852 2.693 -10.559 1.00 0.00 C ATOM 0 H LEU A 93 4.551 5.706 -13.224 1.00 0.00 H new ATOM 0 HA LEU A 93 5.071 5.287 -10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.940 4.907 -11.566 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.631 3.594 -12.499 1.00 0.00 H new ATOM 0 HG LEU A 93 3.928 2.237 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.343 2.995 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.684 3.935 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.048 4.633 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.612 1.993 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.203 3.566 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.698 2.208 -11.523 1.00 0.00 H new ATOM 1413 N GLN A 94 6.794 3.505 -12.551 1.00 0.00 N ATOM 1414 CA GLN A 94 7.899 2.567 -12.658 1.00 0.00 C ATOM 1415 C GLN A 94 9.161 3.159 -12.028 1.00 0.00 C ATOM 1416 O GLN A 94 9.934 2.445 -11.390 1.00 0.00 O ATOM 1417 CB GLN A 94 8.146 2.176 -14.117 1.00 0.00 C ATOM 1418 CG GLN A 94 7.170 1.086 -14.565 1.00 0.00 C ATOM 1419 CD GLN A 94 6.047 1.674 -15.422 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.221 2.646 -16.137 1.00 0.00 O ATOM 1421 NE2 GLN A 94 4.888 1.031 -15.310 1.00 0.00 N ATOM 0 H GLN A 94 6.516 3.939 -13.431 1.00 0.00 H new ATOM 0 HA GLN A 94 7.635 1.661 -12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.036 3.052 -14.756 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.170 1.822 -14.234 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.705 0.325 -15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.745 0.592 -13.691 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.811 0.223 -14.692 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.077 1.346 -15.842 1.00 0.00 H new ATOM 1430 N GLU A 95 9.331 4.458 -12.229 1.00 0.00 N ATOM 1431 CA GLU A 95 10.487 5.153 -11.688 1.00 0.00 C ATOM 1432 C GLU A 95 10.383 5.249 -10.165 1.00 0.00 C ATOM 1433 O GLU A 95 11.275 4.796 -9.449 1.00 0.00 O ATOM 1434 CB GLU A 95 10.635 6.540 -12.317 1.00 0.00 C ATOM 1435 CG GLU A 95 11.651 6.519 -13.460 1.00 0.00 C ATOM 1436 CD GLU A 95 12.360 7.868 -13.590 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.744 8.778 -14.186 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.502 7.961 -13.089 1.00 0.00 O ATOM 0 H GLU A 95 8.688 5.047 -12.759 1.00 0.00 H new ATOM 0 HA GLU A 95 11.381 4.581 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.669 6.878 -12.691 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.951 7.255 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.386 5.734 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.146 6.278 -14.395 1.00 0.00 H new ATOM 1445 N PHE A 96 9.288 5.843 -9.714 1.00 0.00 N ATOM 1446 CA PHE A 96 9.057 6.005 -8.289 1.00 0.00 C ATOM 1447 C PHE A 96 9.415 4.727 -7.527 1.00 0.00 C ATOM 1448 O PHE A 96 10.138 4.775 -6.533 1.00 0.00 O ATOM 1449 CB PHE A 96 7.565 6.291 -8.108 1.00 0.00 C ATOM 1450 CG PHE A 96 7.102 6.283 -6.649 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.674 7.129 -5.750 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.120 5.431 -6.252 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.244 7.121 -4.396 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.691 5.423 -4.899 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.262 6.268 -3.999 1.00 0.00 C ATOM 0 H PHE A 96 8.551 6.218 -10.311 1.00 0.00 H new ATOM 0 HA PHE A 96 9.677 6.813 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.336 7.263 -8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.993 5.548 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.454 7.806 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.666 4.760 -6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.697 7.793 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.911 4.746 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.936 6.262 -2.970 1.00 0.00 H new ATOM 1465 N LEU A 97 8.892 3.615 -8.022 1.00 0.00 N ATOM 1466 CA LEU A 97 9.148 2.327 -7.401 1.00 0.00 C ATOM 1467 C LEU A 97 10.546 1.844 -7.794 1.00 0.00 C ATOM 1468 O LEU A 97 11.221 2.480 -8.601 1.00 0.00 O ATOM 1469 CB LEU A 97 8.035 1.335 -7.746 1.00 0.00 C ATOM 1470 CG LEU A 97 6.608 1.884 -7.694 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.655 1.011 -8.513 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.135 2.048 -6.248 1.00 0.00 C ATOM 0 H LEU A 97 8.292 3.579 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 97 9.136 2.419 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.218 0.948 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.103 0.490 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 97 6.607 2.875 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.647 1.423 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.984 0.990 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.654 -0.002 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.118 2.440 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.155 1.080 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.795 2.741 -5.726 1.00 0.00 H new ATOM 1484 N LYS A 98 10.937 0.724 -7.204 1.00 0.00 N ATOM 1485 CA LYS A 98 12.242 0.149 -7.483 1.00 0.00 C ATOM 1486 C LYS A 98 12.126 -0.824 -8.658 1.00 0.00 C ATOM 1487 O LYS A 98 12.628 -1.944 -8.593 1.00 0.00 O ATOM 1488 CB LYS A 98 12.831 -0.482 -6.219 1.00 0.00 C ATOM 1489 CG LYS A 98 14.272 -0.021 -5.996 1.00 0.00 C ATOM 1490 CD LYS A 98 14.312 1.399 -5.426 1.00 0.00 C ATOM 1491 CE LYS A 98 15.736 1.956 -5.442 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.092 2.432 -6.798 1.00 0.00 N ATOM 0 H LYS A 98 10.374 0.200 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 98 12.945 0.927 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.222 -0.213 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.802 -1.568 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.775 -0.705 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.818 -0.054 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.658 2.047 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.930 1.396 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.820 2.776 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.438 1.185 -5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.049 2.838 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.064 1.634 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.413 3.159 -7.100 1.00 0.00 H new ATOM 1506 N LEU A 99 11.460 -0.359 -9.705 1.00 0.00 N ATOM 1507 CA LEU A 99 11.271 -1.174 -10.894 1.00 0.00 C ATOM 1508 C LEU A 99 12.264 -0.734 -11.971 1.00 0.00 C ATOM 1509 O LEU A 99 12.938 -1.566 -12.576 1.00 0.00 O ATOM 1510 CB LEU A 99 9.811 -1.129 -11.348 1.00 0.00 C ATOM 1511 CG LEU A 99 8.769 -1.520 -10.297 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.350 -1.362 -10.847 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.026 -2.933 -9.770 1.00 0.00 C ATOM 0 H LEU A 99 11.045 0.571 -9.755 1.00 0.00 H new ATOM 0 HA LEU A 99 11.480 -2.221 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.589 -0.119 -11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.698 -1.791 -12.207 1.00 0.00 H new ATOM 0 HG LEU A 99 8.864 -0.839 -9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.629 -1.646 -10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.184 -0.323 -11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.224 -2.004 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.272 -3.186 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.974 -3.644 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.015 -2.977 -9.314 1.00 0.00 H new ATOM 1525 N ALA A 100 12.323 0.574 -12.178 1.00 0.00 N ATOM 1526 CA ALA A 100 13.222 1.134 -13.172 1.00 0.00 C ATOM 1527 C ALA A 100 14.367 1.862 -12.465 1.00 0.00 C ATOM 1528 O ALA A 100 14.135 2.649 -11.549 1.00 0.00 O ATOM 1529 CB ALA A 100 12.438 2.054 -14.110 1.00 0.00 C ATOM 0 H ALA A 100 11.763 1.261 -11.674 1.00 0.00 H new ATOM 0 HA ALA A 100 13.660 0.344 -13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.113 2.474 -14.856 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.655 1.483 -14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.986 2.861 -13.534 1.00 0.00 H new TER 1535 ALA A 100