USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -14:sc= -3.87! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -1.14! C(o=-5!,f=-15!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.04) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0026 (180deg=-0.73) USER MOD Single : A 32 ASN : amide:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : A 37 ASN : amide:sc= -0.625 K(o=-0.63,f=-2.7) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -150:sc= -0.271 (180deg=-1.69!) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.034 (180deg=-0.371) USER MOD Single : A 43 GLN : amide:sc= -2.17! K(o=-2.2!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= -9.93! C(o=-9.9!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.68 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -166:sc= -1.67 (180deg=-2.44) USER MOD Single : A 71 GLN : amide:sc= -2.13! K(o=-2.1!,f=0) USER MOD Single : A 76 ASN : amide:sc=-0.00399 K(o=-0.004,f=-1.6!) USER MOD Single : A 90 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.7!) USER MOD Single : A 94 THR OG1 : rot 72:sc= 0.963 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 99 ASN : amide:sc= -0.0925 K(o=-0.093,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.45) USER MOD Single : A 110 THR OG1 : rot 78:sc= 0.129 USER MOD Single : A 114 SER OG : rot 109:sc= 1.3 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 119 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.8!) USER MOD Single : A 123 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -20.746 5.587 -2.131 1.00 0.00 N ATOM 2 CA ALA A 2 -19.614 6.382 -1.576 1.00 0.00 C ATOM 3 C ALA A 2 -18.727 5.475 -0.729 1.00 0.00 C ATOM 4 O ALA A 2 -17.814 5.943 -0.049 1.00 0.00 O ATOM 5 CB ALA A 2 -20.167 7.520 -0.716 1.00 0.00 C ATOM 0 HA ALA A 2 -19.024 6.802 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.341 8.103 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.799 8.164 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.756 7.105 0.102 1.00 0.00 H new ATOM 13 N SER A 3 -19.002 4.175 -0.777 1.00 0.00 N ATOM 14 CA SER A 3 -18.221 3.210 -0.011 1.00 0.00 C ATOM 15 C SER A 3 -17.549 2.208 -0.941 1.00 0.00 C ATOM 16 O SER A 3 -18.077 1.881 -2.004 1.00 0.00 O ATOM 17 CB SER A 3 -19.125 2.471 0.975 1.00 0.00 C ATOM 18 OG SER A 3 -19.745 3.413 1.842 1.00 0.00 O ATOM 0 H SER A 3 -19.754 3.768 -1.334 1.00 0.00 H new ATOM 0 HA SER A 3 -17.450 3.749 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.883 1.903 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.542 1.755 1.554 1.00 0.00 H new ATOM 0 HG SER A 3 -20.327 2.942 2.474 1.00 0.00 H new ATOM 24 N LEU A 4 -16.379 1.726 -0.537 1.00 0.00 N ATOM 25 CA LEU A 4 -15.637 0.764 -1.343 1.00 0.00 C ATOM 26 C LEU A 4 -16.485 -0.473 -1.622 1.00 0.00 C ATOM 27 O LEU A 4 -16.423 -1.045 -2.710 1.00 0.00 O ATOM 28 CB LEU A 4 -14.354 0.354 -0.609 1.00 0.00 C ATOM 29 CG LEU A 4 -13.496 -0.548 -1.507 1.00 0.00 C ATOM 30 CD1 LEU A 4 -12.791 0.292 -2.576 1.00 0.00 C ATOM 31 CD2 LEU A 4 -12.446 -1.257 -0.648 1.00 0.00 C ATOM 0 H LEU A 4 -15.926 1.984 0.340 1.00 0.00 H new ATOM 0 HA LEU A 4 -15.381 1.233 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.788 1.242 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.605 -0.171 0.313 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.137 -1.282 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.185 -0.357 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.535 0.802 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.150 1.031 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.833 -1.900 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.813 -0.515 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.944 -1.862 0.110 1.00 0.00 H new ATOM 43 N TYR A 5 -17.267 -0.890 -0.631 1.00 0.00 N ATOM 44 CA TYR A 5 -18.110 -2.069 -0.786 1.00 0.00 C ATOM 45 C TYR A 5 -19.137 -1.863 -1.897 1.00 0.00 C ATOM 46 O TYR A 5 -19.394 -2.766 -2.693 1.00 0.00 O ATOM 47 CB TYR A 5 -18.844 -2.365 0.525 1.00 0.00 C ATOM 48 CG TYR A 5 -17.859 -2.423 1.671 1.00 0.00 C ATOM 49 CD1 TYR A 5 -16.774 -3.309 1.629 1.00 0.00 C ATOM 50 CD2 TYR A 5 -18.036 -1.590 2.783 1.00 0.00 C ATOM 51 CE1 TYR A 5 -15.871 -3.361 2.696 1.00 0.00 C ATOM 52 CE2 TYR A 5 -17.132 -1.642 3.849 1.00 0.00 C ATOM 53 CZ TYR A 5 -16.049 -2.527 3.806 1.00 0.00 C ATOM 54 OH TYR A 5 -15.158 -2.580 4.858 1.00 0.00 O ATOM 0 H TYR A 5 -17.334 -0.434 0.279 1.00 0.00 H new ATOM 0 HA TYR A 5 -17.468 -2.909 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -19.590 -1.593 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -19.378 -3.312 0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.635 -3.952 0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -18.872 -0.907 2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -15.036 -4.045 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.270 -0.999 4.706 1.00 0.00 H new ATOM 0 HH TYR A 5 -15.426 -1.936 5.546 1.00 0.00 H new ATOM 64 N GLU A 6 -19.725 -0.673 -1.940 1.00 0.00 N ATOM 65 CA GLU A 6 -20.729 -0.362 -2.952 1.00 0.00 C ATOM 66 C GLU A 6 -20.120 -0.352 -4.351 1.00 0.00 C ATOM 67 O GLU A 6 -20.775 -0.727 -5.324 1.00 0.00 O ATOM 68 CB GLU A 6 -21.363 0.998 -2.659 1.00 0.00 C ATOM 69 CG GLU A 6 -22.171 0.914 -1.363 1.00 0.00 C ATOM 70 CD GLU A 6 -22.848 2.251 -1.083 1.00 0.00 C ATOM 71 OE1 GLU A 6 -22.532 3.207 -1.770 1.00 0.00 O ATOM 72 OE2 GLU A 6 -23.672 2.297 -0.185 1.00 0.00 O ATOM 0 H GLU A 6 -19.526 0.088 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.493 -1.138 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.589 1.760 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.009 1.296 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.921 0.127 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.516 0.648 -0.533 1.00 0.00 H new ATOM 79 N LYS A 7 -18.867 0.083 -4.451 1.00 0.00 N ATOM 80 CA LYS A 7 -18.197 0.140 -5.746 1.00 0.00 C ATOM 81 C LYS A 7 -18.159 -1.241 -6.393 1.00 0.00 C ATOM 82 O LYS A 7 -18.500 -1.396 -7.566 1.00 0.00 O ATOM 83 CB LYS A 7 -16.770 0.662 -5.570 1.00 0.00 C ATOM 84 CG LYS A 7 -16.121 0.850 -6.944 1.00 0.00 C ATOM 85 CD LYS A 7 -14.674 1.314 -6.765 1.00 0.00 C ATOM 86 CE LYS A 7 -14.078 1.663 -8.131 1.00 0.00 C ATOM 87 NZ LYS A 7 -14.551 3.012 -8.550 1.00 0.00 N ATOM 0 H LYS A 7 -18.302 0.397 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.756 0.816 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.782 1.608 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.186 -0.039 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.148 -0.086 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.680 1.583 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.638 2.183 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.085 0.530 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.989 1.648 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.373 0.917 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.764 3.004 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.410 3.259 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.810 3.715 -8.357 1.00 0.00 H new ATOM 101 N LEU A 8 -17.751 -2.242 -5.621 1.00 0.00 N ATOM 102 CA LEU A 8 -17.682 -3.608 -6.130 1.00 0.00 C ATOM 103 C LEU A 8 -19.083 -4.175 -6.333 1.00 0.00 C ATOM 104 O LEU A 8 -19.309 -4.995 -7.222 1.00 0.00 O ATOM 105 CB LEU A 8 -16.903 -4.495 -5.155 1.00 0.00 C ATOM 106 CG LEU A 8 -15.502 -3.916 -4.937 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.701 -4.850 -4.032 1.00 0.00 C ATOM 108 CD2 LEU A 8 -14.787 -3.778 -6.283 1.00 0.00 C ATOM 0 H LEU A 8 -17.465 -2.136 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.167 -3.591 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.432 -4.559 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.831 -5.509 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.586 -2.935 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.704 -4.439 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.207 -4.948 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.620 -5.830 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.790 -3.366 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.704 -4.758 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.357 -3.112 -6.931 1.00 0.00 H new ATOM 120 N GLY A 9 -20.019 -3.733 -5.498 1.00 0.00 N ATOM 121 CA GLY A 9 -21.396 -4.204 -5.591 1.00 0.00 C ATOM 122 C GLY A 9 -21.662 -5.309 -4.573 1.00 0.00 C ATOM 123 O GLY A 9 -22.758 -5.867 -4.522 1.00 0.00 O ATOM 0 H GLY A 9 -19.851 -3.055 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -22.081 -3.374 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.590 -4.576 -6.597 1.00 0.00 H new ATOM 127 N GLY A 10 -20.654 -5.616 -3.762 1.00 0.00 N ATOM 128 CA GLY A 10 -20.792 -6.654 -2.746 1.00 0.00 C ATOM 129 C GLY A 10 -19.587 -6.663 -1.810 1.00 0.00 C ATOM 130 O GLY A 10 -18.464 -6.939 -2.232 1.00 0.00 O ATOM 0 H GLY A 10 -19.740 -5.165 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.703 -6.487 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.892 -7.627 -3.226 1.00 0.00 H new ATOM 134 N ALA A 11 -19.827 -6.356 -0.538 1.00 0.00 N ATOM 135 CA ALA A 11 -18.752 -6.328 0.447 1.00 0.00 C ATOM 136 C ALA A 11 -18.131 -7.712 0.613 1.00 0.00 C ATOM 137 O ALA A 11 -16.929 -7.837 0.843 1.00 0.00 O ATOM 138 CB ALA A 11 -19.292 -5.845 1.794 1.00 0.00 C ATOM 0 H ALA A 11 -20.749 -6.125 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.983 -5.641 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.483 -5.827 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.703 -4.842 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.075 -6.522 2.136 1.00 0.00 H new ATOM 144 N ALA A 12 -18.955 -8.747 0.495 1.00 0.00 N ATOM 145 CA ALA A 12 -18.469 -10.115 0.636 1.00 0.00 C ATOM 146 C ALA A 12 -17.445 -10.435 -0.448 1.00 0.00 C ATOM 147 O ALA A 12 -16.532 -11.232 -0.238 1.00 0.00 O ATOM 148 CB ALA A 12 -19.638 -11.097 0.542 1.00 0.00 C ATOM 0 H ALA A 12 -19.954 -8.667 0.304 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.991 -10.212 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.266 -12.116 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.354 -10.887 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.128 -10.988 -0.426 1.00 0.00 H new ATOM 154 N ALA A 13 -17.606 -9.808 -1.608 1.00 0.00 N ATOM 155 CA ALA A 13 -16.691 -10.033 -2.722 1.00 0.00 C ATOM 156 C ALA A 13 -15.275 -9.597 -2.359 1.00 0.00 C ATOM 157 O ALA A 13 -14.299 -10.145 -2.871 1.00 0.00 O ATOM 158 CB ALA A 13 -17.166 -9.254 -3.951 1.00 0.00 C ATOM 0 H ALA A 13 -18.356 -9.144 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.681 -11.100 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.478 -9.426 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.164 -9.591 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.194 -8.189 -3.718 1.00 0.00 H new ATOM 164 N VAL A 14 -15.169 -8.606 -1.481 1.00 0.00 N ATOM 165 CA VAL A 14 -13.863 -8.103 -1.068 1.00 0.00 C ATOM 166 C VAL A 14 -13.020 -9.218 -0.455 1.00 0.00 C ATOM 167 O VAL A 14 -11.835 -9.350 -0.761 1.00 0.00 O ATOM 168 CB VAL A 14 -14.035 -6.980 -0.045 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.672 -6.624 0.553 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.624 -5.747 -0.732 1.00 0.00 C ATOM 0 H VAL A 14 -15.963 -8.138 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.352 -7.721 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.707 -7.311 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.793 -5.823 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.249 -7.501 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.002 -6.294 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.746 -4.947 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.952 -5.416 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.594 -5.998 -1.161 1.00 0.00 H new ATOM 180 N ASP A 15 -13.633 -10.013 0.414 1.00 0.00 N ATOM 181 CA ASP A 15 -12.918 -11.108 1.062 1.00 0.00 C ATOM 182 C ASP A 15 -12.398 -12.102 0.028 1.00 0.00 C ATOM 183 O ASP A 15 -11.260 -12.562 0.115 1.00 0.00 O ATOM 184 CB ASP A 15 -13.843 -11.828 2.044 1.00 0.00 C ATOM 185 CG ASP A 15 -13.049 -12.839 2.862 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.838 -12.868 2.720 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.664 -13.572 3.622 1.00 0.00 O ATOM 0 H ASP A 15 -14.612 -9.923 0.685 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.069 -10.689 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.318 -11.104 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.641 -12.334 1.501 1.00 0.00 H new ATOM 192 N LEU A 16 -13.238 -12.427 -0.949 1.00 0.00 N ATOM 193 CA LEU A 16 -12.850 -13.369 -1.991 1.00 0.00 C ATOM 194 C LEU A 16 -11.779 -12.766 -2.895 1.00 0.00 C ATOM 195 O LEU A 16 -10.854 -13.455 -3.322 1.00 0.00 O ATOM 196 CB LEU A 16 -14.070 -13.758 -2.832 1.00 0.00 C ATOM 197 CG LEU A 16 -14.957 -14.740 -2.054 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.312 -16.129 -2.038 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.135 -14.249 -0.614 1.00 0.00 C ATOM 0 H LEU A 16 -14.184 -12.056 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.443 -14.258 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.642 -12.867 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.746 -14.212 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.929 -14.799 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.948 -16.819 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.193 -16.487 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.335 -16.071 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.765 -14.949 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.161 -14.182 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.606 -13.266 -0.620 1.00 0.00 H new ATOM 211 N ALA A 17 -11.912 -11.475 -3.185 1.00 0.00 N ATOM 212 CA ALA A 17 -10.949 -10.793 -4.043 1.00 0.00 C ATOM 213 C ALA A 17 -9.573 -10.761 -3.389 1.00 0.00 C ATOM 214 O ALA A 17 -8.554 -10.954 -4.054 1.00 0.00 O ATOM 215 CB ALA A 17 -11.417 -9.363 -4.317 1.00 0.00 C ATOM 0 H ALA A 17 -12.670 -10.885 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.878 -11.341 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.693 -8.860 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.387 -9.386 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.505 -8.822 -3.375 1.00 0.00 H new ATOM 221 N VAL A 18 -9.549 -10.516 -2.085 1.00 0.00 N ATOM 222 CA VAL A 18 -8.292 -10.460 -1.351 1.00 0.00 C ATOM 223 C VAL A 18 -7.608 -11.823 -1.351 1.00 0.00 C ATOM 224 O VAL A 18 -6.387 -11.916 -1.476 1.00 0.00 O ATOM 225 CB VAL A 18 -8.547 -10.017 0.091 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.247 -10.108 0.892 1.00 0.00 C ATOM 227 CG2 VAL A 18 -9.049 -8.571 0.097 1.00 0.00 C ATOM 0 H VAL A 18 -10.381 -10.354 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.640 -9.739 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.297 -10.666 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.430 -9.792 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.888 -11.137 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.496 -9.460 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.231 -8.253 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.298 -7.923 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.976 -8.505 -0.473 1.00 0.00 H new ATOM 237 N GLU A 19 -8.403 -12.877 -1.203 1.00 0.00 N ATOM 238 CA GLU A 19 -7.863 -14.232 -1.179 1.00 0.00 C ATOM 239 C GLU A 19 -7.135 -14.553 -2.480 1.00 0.00 C ATOM 240 O GLU A 19 -6.083 -15.193 -2.469 1.00 0.00 O ATOM 241 CB GLU A 19 -8.995 -15.238 -0.968 1.00 0.00 C ATOM 242 CG GLU A 19 -8.407 -16.639 -0.792 1.00 0.00 C ATOM 243 CD GLU A 19 -9.529 -17.666 -0.683 1.00 0.00 C ATOM 244 OE1 GLU A 19 -10.679 -17.269 -0.772 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.222 -18.834 -0.513 1.00 0.00 O ATOM 0 H GLU A 19 -9.416 -12.821 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.151 -14.300 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.580 -14.965 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.674 -15.222 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.763 -16.881 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.785 -16.672 0.103 1.00 0.00 H new ATOM 252 N LYS A 20 -7.697 -14.109 -3.601 1.00 0.00 N ATOM 253 CA LYS A 20 -7.080 -14.365 -4.897 1.00 0.00 C ATOM 254 C LYS A 20 -5.693 -13.735 -4.966 1.00 0.00 C ATOM 255 O LYS A 20 -4.741 -14.359 -5.435 1.00 0.00 O ATOM 256 CB LYS A 20 -7.957 -13.803 -6.017 1.00 0.00 C ATOM 257 CG LYS A 20 -9.280 -14.570 -6.062 1.00 0.00 C ATOM 258 CD LYS A 20 -10.109 -14.090 -7.255 1.00 0.00 C ATOM 259 CE LYS A 20 -11.473 -14.783 -7.239 1.00 0.00 C ATOM 260 NZ LYS A 20 -11.888 -15.097 -8.636 1.00 0.00 N ATOM 0 H LYS A 20 -8.567 -13.577 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.982 -15.443 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.145 -12.742 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.442 -13.888 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.089 -15.640 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.833 -14.416 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.238 -13.009 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.588 -14.311 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.421 -15.698 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.214 -14.140 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.815 -15.568 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.954 -14.216 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.185 -15.726 -9.074 1.00 0.00 H new ATOM 274 N PHE A 21 -5.583 -12.498 -4.489 1.00 0.00 N ATOM 275 CA PHE A 21 -4.303 -11.802 -4.498 1.00 0.00 C ATOM 276 C PHE A 21 -3.321 -12.493 -3.557 1.00 0.00 C ATOM 277 O PHE A 21 -2.153 -12.686 -3.893 1.00 0.00 O ATOM 278 CB PHE A 21 -4.493 -10.345 -4.068 1.00 0.00 C ATOM 279 CG PHE A 21 -3.195 -9.595 -4.249 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.824 -9.132 -5.518 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.359 -9.364 -3.150 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.620 -8.439 -5.686 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.155 -8.670 -3.319 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.786 -8.208 -4.587 1.00 0.00 C ATOM 0 H PHE A 21 -6.357 -11.963 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.901 -11.826 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.280 -9.879 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.809 -10.300 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.467 -9.310 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.643 -9.721 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.335 -8.082 -6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.511 -8.491 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.143 -7.673 -4.717 1.00 0.00 H new ATOM 294 N TYR A 22 -3.810 -12.860 -2.376 1.00 0.00 N ATOM 295 CA TYR A 22 -2.976 -13.530 -1.384 1.00 0.00 C ATOM 296 C TYR A 22 -2.419 -14.838 -1.938 1.00 0.00 C ATOM 297 O TYR A 22 -1.254 -15.170 -1.719 1.00 0.00 O ATOM 298 CB TYR A 22 -3.797 -13.818 -0.126 1.00 0.00 C ATOM 299 CG TYR A 22 -2.912 -14.446 0.923 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.167 -13.635 1.788 1.00 0.00 C ATOM 301 CD2 TYR A 22 -2.836 -15.840 1.032 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.347 -14.218 2.762 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.016 -16.423 2.004 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.272 -15.612 2.870 1.00 0.00 C ATOM 305 OH TYR A 22 -0.464 -16.187 3.829 1.00 0.00 O ATOM 0 H TYR A 22 -4.775 -12.706 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.143 -12.873 -1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.232 -12.894 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.625 -14.485 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.225 -12.560 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.411 -16.466 0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.773 -13.593 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.957 -17.498 2.087 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.528 -17.163 3.769 1.00 0.00 H new ATOM 315 N GLY A 23 -3.261 -15.581 -2.650 1.00 0.00 N ATOM 316 CA GLY A 23 -2.840 -16.855 -3.223 1.00 0.00 C ATOM 317 C GLY A 23 -1.609 -16.678 -4.104 1.00 0.00 C ATOM 318 O GLY A 23 -0.686 -17.491 -4.066 1.00 0.00 O ATOM 0 H GLY A 23 -4.230 -15.326 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.621 -17.563 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.654 -17.280 -3.810 1.00 0.00 H new ATOM 322 N LYS A 24 -1.599 -15.609 -4.893 1.00 0.00 N ATOM 323 CA LYS A 24 -0.470 -15.339 -5.776 1.00 0.00 C ATOM 324 C LYS A 24 0.807 -15.147 -4.964 1.00 0.00 C ATOM 325 O LYS A 24 1.884 -15.590 -5.365 1.00 0.00 O ATOM 326 CB LYS A 24 -0.744 -14.085 -6.607 1.00 0.00 C ATOM 327 CG LYS A 24 -1.935 -14.336 -7.534 1.00 0.00 C ATOM 328 CD LYS A 24 -2.135 -13.127 -8.450 1.00 0.00 C ATOM 329 CE LYS A 24 -3.392 -13.327 -9.298 1.00 0.00 C ATOM 330 NZ LYS A 24 -3.033 -14.036 -10.560 1.00 0.00 N ATOM 0 H LYS A 24 -2.351 -14.922 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.340 -16.192 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.952 -13.240 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.138 -13.824 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.762 -15.232 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.836 -14.513 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.227 -12.218 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.266 -12.999 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.131 -13.904 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.847 -12.363 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.768 -13.865 -11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.120 -13.681 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.960 -15.057 -10.376 1.00 0.00 H new ATOM 344 N VAL A 25 0.678 -14.483 -3.820 1.00 0.00 N ATOM 345 CA VAL A 25 1.825 -14.237 -2.955 1.00 0.00 C ATOM 346 C VAL A 25 2.383 -15.551 -2.416 1.00 0.00 C ATOM 347 O VAL A 25 3.596 -15.748 -2.366 1.00 0.00 O ATOM 348 CB VAL A 25 1.413 -13.338 -1.789 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.566 -13.236 -0.788 1.00 0.00 C ATOM 350 CG2 VAL A 25 1.074 -11.943 -2.319 1.00 0.00 C ATOM 0 H VAL A 25 -0.204 -14.108 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 25 2.599 -13.742 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 25 0.540 -13.763 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.271 -12.595 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.809 -14.229 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.440 -12.811 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.780 -11.300 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.948 -11.520 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.252 -12.014 -3.032 1.00 0.00 H new ATOM 360 N LEU A 26 1.485 -16.444 -2.013 1.00 0.00 N ATOM 361 CA LEU A 26 1.894 -17.738 -1.477 1.00 0.00 C ATOM 362 C LEU A 26 2.690 -18.521 -2.518 1.00 0.00 C ATOM 363 O LEU A 26 3.647 -19.219 -2.185 1.00 0.00 O ATOM 364 CB LEU A 26 0.657 -18.541 -1.063 1.00 0.00 C ATOM 365 CG LEU A 26 1.084 -19.835 -0.359 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.584 -19.523 1.056 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.115 -20.782 -0.273 1.00 0.00 C ATOM 0 H LEU A 26 0.476 -16.298 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 26 2.527 -17.570 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.032 -17.945 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.055 -18.776 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 26 1.888 -20.303 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.885 -20.448 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.438 -18.848 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.785 -19.051 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.184 -21.703 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.915 -20.305 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.469 -21.013 -1.278 1.00 0.00 H new ATOM 379 N ALA A 27 2.281 -18.405 -3.777 1.00 0.00 N ATOM 380 CA ALA A 27 2.957 -19.113 -4.858 1.00 0.00 C ATOM 381 C ALA A 27 4.404 -18.647 -4.996 1.00 0.00 C ATOM 382 O ALA A 27 5.300 -19.449 -5.259 1.00 0.00 O ATOM 383 CB ALA A 27 2.218 -18.880 -6.176 1.00 0.00 C ATOM 0 H ALA A 27 1.491 -17.832 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 27 2.956 -20.177 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.729 -19.412 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.196 -19.248 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.202 -17.813 -6.400 1.00 0.00 H new ATOM 389 N ASP A 28 4.627 -17.347 -4.823 1.00 0.00 N ATOM 390 CA ASP A 28 5.972 -16.797 -4.938 1.00 0.00 C ATOM 391 C ASP A 28 6.704 -16.868 -3.601 1.00 0.00 C ATOM 392 O ASP A 28 6.422 -16.099 -2.681 1.00 0.00 O ATOM 393 CB ASP A 28 5.900 -15.345 -5.412 1.00 0.00 C ATOM 394 CG ASP A 28 7.307 -14.789 -5.607 1.00 0.00 C ATOM 395 OD1 ASP A 28 8.247 -15.557 -5.487 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.424 -13.605 -5.874 1.00 0.00 O ATOM 0 H ASP A 28 3.903 -16.663 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 28 6.525 -17.390 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.344 -15.287 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.360 -14.742 -4.682 1.00 0.00 H new ATOM 401 N GLU A 29 7.649 -17.795 -3.503 1.00 0.00 N ATOM 402 CA GLU A 29 8.426 -17.963 -2.280 1.00 0.00 C ATOM 403 C GLU A 29 9.426 -16.822 -2.102 1.00 0.00 C ATOM 404 O GLU A 29 9.822 -16.500 -0.982 1.00 0.00 O ATOM 405 CB GLU A 29 9.177 -19.296 -2.318 1.00 0.00 C ATOM 406 CG GLU A 29 8.170 -20.449 -2.336 1.00 0.00 C ATOM 407 CD GLU A 29 8.907 -21.784 -2.303 1.00 0.00 C ATOM 408 OE1 GLU A 29 10.120 -21.774 -2.423 1.00 0.00 O ATOM 409 OE2 GLU A 29 8.246 -22.799 -2.158 1.00 0.00 O ATOM 0 H GLU A 29 7.896 -18.441 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 29 7.735 -17.953 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.814 -19.342 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.830 -19.383 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.501 -20.372 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.550 -20.388 -3.231 1.00 0.00 H new ATOM 416 N ARG A 30 9.849 -16.232 -3.216 1.00 0.00 N ATOM 417 CA ARG A 30 10.827 -15.148 -3.176 1.00 0.00 C ATOM 418 C ARG A 30 10.372 -14.008 -2.267 1.00 0.00 C ATOM 419 O ARG A 30 11.171 -13.456 -1.510 1.00 0.00 O ATOM 420 CB ARG A 30 11.058 -14.606 -4.588 1.00 0.00 C ATOM 421 CG ARG A 30 11.680 -15.698 -5.460 1.00 0.00 C ATOM 422 CD ARG A 30 12.034 -15.116 -6.829 1.00 0.00 C ATOM 423 NE ARG A 30 10.852 -14.523 -7.446 1.00 0.00 N ATOM 424 CZ ARG A 30 10.002 -15.261 -8.152 1.00 0.00 C ATOM 425 NH1 ARG A 30 10.215 -16.539 -8.302 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.953 -14.707 -8.695 1.00 0.00 N ATOM 0 H ARG A 30 9.533 -16.484 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 30 11.754 -15.555 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.114 -14.275 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.715 -13.737 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.574 -16.097 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.983 -16.528 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.814 -14.362 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.435 -15.899 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 30 10.675 -13.525 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.035 -16.973 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.562 -17.105 -8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.786 -13.708 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.300 -15.273 -9.237 1.00 0.00 H new ATOM 440 N VAL A 31 9.094 -13.651 -2.342 1.00 0.00 N ATOM 441 CA VAL A 31 8.574 -12.568 -1.512 1.00 0.00 C ATOM 442 C VAL A 31 8.321 -13.049 -0.087 1.00 0.00 C ATOM 443 O VAL A 31 8.434 -12.280 0.867 1.00 0.00 O ATOM 444 CB VAL A 31 7.277 -12.017 -2.108 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.562 -11.422 -3.487 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.260 -13.149 -2.246 1.00 0.00 C ATOM 0 H VAL A 31 8.408 -14.087 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 31 9.322 -11.775 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 31 6.876 -11.243 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.638 -11.029 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.289 -10.616 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.962 -12.196 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.335 -12.758 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.662 -13.921 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.056 -13.577 -1.264 1.00 0.00 H new ATOM 456 N ASN A 32 7.977 -14.324 0.048 1.00 0.00 N ATOM 457 CA ASN A 32 7.705 -14.902 1.360 1.00 0.00 C ATOM 458 C ASN A 32 8.902 -14.731 2.290 1.00 0.00 C ATOM 459 O ASN A 32 8.742 -14.572 3.501 1.00 0.00 O ATOM 460 CB ASN A 32 7.380 -16.389 1.216 1.00 0.00 C ATOM 461 CG ASN A 32 6.090 -16.568 0.423 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.309 -15.627 0.288 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.820 -17.726 -0.114 1.00 0.00 N ATOM 0 H ASN A 32 7.880 -14.976 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 32 6.851 -14.379 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.200 -16.901 0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.277 -16.844 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.960 -17.853 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.469 -18.505 -0.001 1.00 0.00 H new ATOM 470 N ARG A 33 10.102 -14.778 1.721 1.00 0.00 N ATOM 471 CA ARG A 33 11.319 -14.641 2.514 1.00 0.00 C ATOM 472 C ARG A 33 11.314 -13.336 3.311 1.00 0.00 C ATOM 473 O ARG A 33 11.768 -13.295 4.454 1.00 0.00 O ATOM 474 CB ARG A 33 12.541 -14.671 1.594 1.00 0.00 C ATOM 475 CG ARG A 33 12.625 -16.035 0.906 1.00 0.00 C ATOM 476 CD ARG A 33 13.877 -16.090 0.028 1.00 0.00 C ATOM 477 NE ARG A 33 15.075 -16.101 0.858 1.00 0.00 N ATOM 478 CZ ARG A 33 16.272 -15.857 0.337 1.00 0.00 C ATOM 479 NH1 ARG A 33 16.389 -15.604 -0.938 1.00 0.00 N ATOM 480 NH2 ARG A 33 17.331 -15.870 1.099 1.00 0.00 N ATOM 0 H ARG A 33 10.258 -14.909 0.722 1.00 0.00 H new ATOM 0 HA ARG A 33 11.363 -15.474 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.468 -13.879 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.448 -14.485 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.657 -16.829 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.735 -16.203 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.852 -16.982 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.898 -15.230 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 33 14.993 -16.299 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.561 -15.594 -1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.308 -15.417 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.240 -16.068 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.250 -15.683 0.698 1.00 0.00 H new ATOM 494 N PHE A 34 10.803 -12.274 2.700 1.00 0.00 N ATOM 495 CA PHE A 34 10.748 -10.971 3.360 1.00 0.00 C ATOM 496 C PHE A 34 9.735 -10.966 4.502 1.00 0.00 C ATOM 497 O PHE A 34 9.901 -10.244 5.485 1.00 0.00 O ATOM 498 CB PHE A 34 10.380 -9.890 2.343 1.00 0.00 C ATOM 499 CG PHE A 34 11.526 -9.699 1.379 1.00 0.00 C ATOM 500 CD1 PHE A 34 11.630 -10.512 0.245 1.00 0.00 C ATOM 501 CD2 PHE A 34 12.484 -8.706 1.617 1.00 0.00 C ATOM 502 CE1 PHE A 34 12.690 -10.334 -0.651 1.00 0.00 C ATOM 503 CE2 PHE A 34 13.545 -8.528 0.722 1.00 0.00 C ATOM 504 CZ PHE A 34 13.648 -9.342 -0.412 1.00 0.00 C ATOM 0 H PHE A 34 10.422 -12.286 1.754 1.00 0.00 H new ATOM 0 HA PHE A 34 11.733 -10.765 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.478 -10.176 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.161 -8.953 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.891 -11.278 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.404 -8.077 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.769 -10.962 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 34 14.284 -7.763 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.467 -9.205 -1.103 1.00 0.00 H new ATOM 514 N PHE A 35 8.678 -11.759 4.361 1.00 0.00 N ATOM 515 CA PHE A 35 7.640 -11.818 5.387 1.00 0.00 C ATOM 516 C PHE A 35 8.006 -12.805 6.493 1.00 0.00 C ATOM 517 O PHE A 35 7.180 -13.119 7.350 1.00 0.00 O ATOM 518 CB PHE A 35 6.305 -12.221 4.758 1.00 0.00 C ATOM 519 CG PHE A 35 5.841 -11.128 3.825 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.241 -9.973 4.343 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.011 -11.266 2.442 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.812 -8.958 3.480 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.582 -10.250 1.579 1.00 0.00 C ATOM 524 CZ PHE A 35 4.982 -9.097 2.098 1.00 0.00 C ATOM 0 H PHE A 35 8.517 -12.364 3.556 1.00 0.00 H new ATOM 0 HA PHE A 35 7.551 -10.826 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.416 -13.158 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.560 -12.391 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.109 -9.866 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.473 -12.156 2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.350 -8.068 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.714 -10.356 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.650 -8.314 1.432 1.00 0.00 H new ATOM 534 N VAL A 36 9.244 -13.287 6.476 1.00 0.00 N ATOM 535 CA VAL A 36 9.692 -14.232 7.494 1.00 0.00 C ATOM 536 C VAL A 36 9.694 -13.573 8.869 1.00 0.00 C ATOM 537 O VAL A 36 9.447 -14.228 9.881 1.00 0.00 O ATOM 538 CB VAL A 36 11.100 -14.730 7.168 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.088 -15.441 5.816 1.00 0.00 C ATOM 540 CG2 VAL A 36 12.059 -13.539 7.109 1.00 0.00 C ATOM 0 H VAL A 36 9.947 -13.044 5.779 1.00 0.00 H new ATOM 0 HA VAL A 36 9.003 -15.076 7.504 1.00 0.00 H new ATOM 0 HB VAL A 36 11.429 -15.425 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.092 -15.796 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.403 -16.288 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.760 -14.746 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.064 -13.892 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.730 -12.845 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.067 -13.030 8.073 1.00 0.00 H new ATOM 550 N ASN A 37 9.972 -12.274 8.898 1.00 0.00 N ATOM 551 CA ASN A 37 10.001 -11.538 10.155 1.00 0.00 C ATOM 552 C ASN A 37 8.595 -11.090 10.541 1.00 0.00 C ATOM 553 O ASN A 37 8.397 -10.444 11.570 1.00 0.00 O ATOM 554 CB ASN A 37 10.910 -10.315 10.020 1.00 0.00 C ATOM 555 CG ASN A 37 12.329 -10.757 9.678 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.715 -11.889 9.969 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.131 -9.927 9.069 1.00 0.00 N ATOM 0 H ASN A 37 10.179 -11.713 8.072 1.00 0.00 H new ATOM 0 HA ASN A 37 10.389 -12.194 10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.529 -9.652 9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.911 -9.748 10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.080 -10.216 8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.808 -8.990 8.829 1.00 0.00 H new ATOM 564 N THR A 38 7.621 -11.444 9.707 1.00 0.00 N ATOM 565 CA THR A 38 6.232 -11.080 9.966 1.00 0.00 C ATOM 566 C THR A 38 5.344 -12.320 9.931 1.00 0.00 C ATOM 567 O THR A 38 5.540 -13.209 9.103 1.00 0.00 O ATOM 568 CB THR A 38 5.751 -10.076 8.916 1.00 0.00 C ATOM 569 OG1 THR A 38 6.625 -8.956 8.898 1.00 0.00 O ATOM 570 CG2 THR A 38 4.333 -9.614 9.262 1.00 0.00 C ATOM 0 H THR A 38 7.767 -11.979 8.851 1.00 0.00 H new ATOM 0 HA THR A 38 6.170 -10.627 10.955 1.00 0.00 H new ATOM 0 HB THR A 38 5.747 -10.550 7.934 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.319 -8.313 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.991 -8.899 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.663 -10.474 9.275 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.334 -9.140 10.243 1.00 0.00 H new ATOM 578 N ASP A 39 4.367 -12.374 10.831 1.00 0.00 N ATOM 579 CA ASP A 39 3.460 -13.515 10.882 1.00 0.00 C ATOM 580 C ASP A 39 2.487 -13.479 9.708 1.00 0.00 C ATOM 581 O ASP A 39 2.268 -12.430 9.101 1.00 0.00 O ATOM 582 CB ASP A 39 2.682 -13.511 12.200 1.00 0.00 C ATOM 583 CG ASP A 39 1.883 -12.220 12.332 1.00 0.00 C ATOM 584 OD1 ASP A 39 2.332 -11.215 11.809 1.00 0.00 O ATOM 585 OD2 ASP A 39 0.834 -12.256 12.954 1.00 0.00 O ATOM 0 H ASP A 39 4.184 -11.651 11.527 1.00 0.00 H new ATOM 0 HA ASP A 39 4.052 -14.428 10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.011 -14.369 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.371 -13.609 13.039 1.00 0.00 H new ATOM 590 N MET A 40 1.912 -14.633 9.391 1.00 0.00 N ATOM 591 CA MET A 40 0.968 -14.733 8.282 1.00 0.00 C ATOM 592 C MET A 40 -0.237 -13.821 8.501 1.00 0.00 C ATOM 593 O MET A 40 -0.795 -13.279 7.547 1.00 0.00 O ATOM 594 CB MET A 40 0.492 -16.179 8.131 1.00 0.00 C ATOM 595 CG MET A 40 1.669 -17.064 7.719 1.00 0.00 C ATOM 596 SD MET A 40 1.071 -18.737 7.367 1.00 0.00 S ATOM 597 CE MET A 40 0.358 -19.070 8.996 1.00 0.00 C ATOM 0 H MET A 40 2.081 -15.510 9.883 1.00 0.00 H new ATOM 0 HA MET A 40 1.480 -14.417 7.373 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.068 -16.533 9.071 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.299 -16.236 7.383 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.160 -16.649 6.839 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.413 -17.092 8.515 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.412 -20.138 9.205 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.916 -18.523 9.756 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.684 -18.750 9.010 1.00 0.00 H new ATOM 607 N ALA A 41 -0.643 -13.666 9.757 1.00 0.00 N ATOM 608 CA ALA A 41 -1.794 -12.828 10.076 1.00 0.00 C ATOM 609 C ALA A 41 -1.571 -11.390 9.613 1.00 0.00 C ATOM 610 O ALA A 41 -2.350 -10.858 8.821 1.00 0.00 O ATOM 611 CB ALA A 41 -2.046 -12.842 11.584 1.00 0.00 C ATOM 0 H ALA A 41 -0.198 -14.104 10.563 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.661 -13.231 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.907 -12.214 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.244 -13.863 11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.168 -12.459 12.103 1.00 0.00 H new ATOM 617 N LYS A 42 -0.507 -10.767 10.108 1.00 0.00 N ATOM 618 CA LYS A 42 -0.200 -9.391 9.733 1.00 0.00 C ATOM 619 C LYS A 42 0.076 -9.291 8.237 1.00 0.00 C ATOM 620 O LYS A 42 -0.235 -8.281 7.604 1.00 0.00 O ATOM 621 CB LYS A 42 1.019 -8.891 10.510 1.00 0.00 C ATOM 622 CG LYS A 42 0.698 -8.873 12.006 1.00 0.00 C ATOM 623 CD LYS A 42 1.873 -8.264 12.772 1.00 0.00 C ATOM 624 CE LYS A 42 1.604 -8.352 14.274 1.00 0.00 C ATOM 625 NZ LYS A 42 0.410 -7.529 14.616 1.00 0.00 N ATOM 0 H LYS A 42 0.152 -11.188 10.763 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.063 -8.772 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.876 -9.537 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.293 -7.891 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.208 -8.294 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.505 -9.886 12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.794 -8.792 12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.013 -7.224 12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.438 -9.390 14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.473 -8.000 14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.393 -7.351 15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.456 -6.623 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.453 -8.038 14.338 1.00 0.00 H new ATOM 639 N GLN A 43 0.670 -10.341 7.681 1.00 0.00 N ATOM 640 CA GLN A 43 0.994 -10.357 6.259 1.00 0.00 C ATOM 641 C GLN A 43 -0.243 -10.062 5.418 1.00 0.00 C ATOM 642 O GLN A 43 -0.174 -9.316 4.442 1.00 0.00 O ATOM 643 CB GLN A 43 1.559 -11.726 5.874 1.00 0.00 C ATOM 644 CG GLN A 43 2.078 -11.682 4.437 1.00 0.00 C ATOM 645 CD GLN A 43 2.542 -13.069 4.007 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.910 -13.271 2.849 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.546 -14.043 4.874 1.00 0.00 N ATOM 0 H GLN A 43 0.935 -11.186 8.188 1.00 0.00 H new ATOM 0 HA GLN A 43 1.738 -9.584 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.365 -12.002 6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.786 -12.489 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.293 -11.329 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.903 -10.974 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.241 -13.874 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.854 -14.974 4.594 1.00 0.00 H new ATOM 656 N LYS A 44 -1.372 -10.646 5.801 1.00 0.00 N ATOM 657 CA LYS A 44 -2.614 -10.433 5.067 1.00 0.00 C ATOM 658 C LYS A 44 -2.983 -8.953 5.050 1.00 0.00 C ATOM 659 O LYS A 44 -3.497 -8.443 4.054 1.00 0.00 O ATOM 660 CB LYS A 44 -3.746 -11.236 5.709 1.00 0.00 C ATOM 661 CG LYS A 44 -3.457 -12.732 5.557 1.00 0.00 C ATOM 662 CD LYS A 44 -4.606 -13.543 6.163 1.00 0.00 C ATOM 663 CE LYS A 44 -5.744 -13.660 5.147 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.690 -14.999 4.494 1.00 0.00 N ATOM 0 H LYS A 44 -1.454 -11.265 6.608 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.467 -10.770 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.838 -10.977 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.696 -10.988 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.337 -12.984 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.520 -12.984 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.254 -14.535 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.965 -13.061 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.705 -13.524 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.659 -12.874 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.463 -15.080 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.778 -15.111 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.791 -15.741 5.215 1.00 0.00 H new ATOM 678 N GLN A 45 -2.719 -8.268 6.158 1.00 0.00 N ATOM 679 CA GLN A 45 -3.030 -6.847 6.256 1.00 0.00 C ATOM 680 C GLN A 45 -2.299 -6.056 5.177 1.00 0.00 C ATOM 681 O GLN A 45 -2.850 -5.118 4.602 1.00 0.00 O ATOM 682 CB GLN A 45 -2.629 -6.321 7.635 1.00 0.00 C ATOM 683 CG GLN A 45 -3.118 -4.879 7.792 1.00 0.00 C ATOM 684 CD GLN A 45 -2.750 -4.351 9.174 1.00 0.00 C ATOM 685 OE1 GLN A 45 -2.259 -5.103 10.017 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.958 -3.094 9.459 1.00 0.00 N ATOM 0 H GLN A 45 -2.294 -8.670 6.994 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.103 -6.721 6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.059 -6.949 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.546 -6.364 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.672 -4.249 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.198 -4.835 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.365 -2.473 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.714 -2.733 10.381 1.00 0.00 H new ATOM 695 N HIS A 46 -1.052 -6.436 4.912 1.00 0.00 N ATOM 696 CA HIS A 46 -0.255 -5.747 3.903 1.00 0.00 C ATOM 697 C HIS A 46 -0.922 -5.825 2.535 1.00 0.00 C ATOM 698 O HIS A 46 -1.003 -4.829 1.817 1.00 0.00 O ATOM 699 CB HIS A 46 1.142 -6.364 3.826 1.00 0.00 C ATOM 700 CG HIS A 46 1.991 -5.558 2.883 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.352 -6.024 1.629 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.553 -4.312 2.996 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.101 -5.071 1.043 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.255 -4.007 1.834 1.00 0.00 N ATOM 0 H HIS A 46 -0.576 -7.209 5.377 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.175 -4.699 4.193 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.598 -6.385 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.077 -7.397 3.483 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.097 -6.925 1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.464 -3.666 3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.525 -5.157 0.054 1.00 0.00 H new ATOM 712 N GLN A 47 -1.399 -7.013 2.177 1.00 0.00 N ATOM 713 CA GLN A 47 -2.056 -7.199 0.889 1.00 0.00 C ATOM 714 C GLN A 47 -3.265 -6.278 0.771 1.00 0.00 C ATOM 715 O GLN A 47 -3.529 -5.721 -0.295 1.00 0.00 O ATOM 716 CB GLN A 47 -2.505 -8.656 0.731 1.00 0.00 C ATOM 717 CG GLN A 47 -1.290 -9.565 0.502 1.00 0.00 C ATOM 718 CD GLN A 47 -0.080 -9.070 1.290 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.429 -7.978 1.036 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.421 -9.819 2.231 1.00 0.00 N ATOM 0 H GLN A 47 -1.344 -7.853 2.754 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.344 -6.954 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.045 -8.976 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.196 -8.742 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.532 -10.584 0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.049 -9.595 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.001 -10.724 2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.235 -9.501 2.757 1.00 0.00 H new ATOM 729 N LYS A 48 -3.993 -6.118 1.871 1.00 0.00 N ATOM 730 CA LYS A 48 -5.167 -5.253 1.871 1.00 0.00 C ATOM 731 C LYS A 48 -4.765 -3.812 1.577 1.00 0.00 C ATOM 732 O LYS A 48 -5.370 -3.147 0.735 1.00 0.00 O ATOM 733 CB LYS A 48 -5.866 -5.324 3.230 1.00 0.00 C ATOM 734 CG LYS A 48 -7.170 -4.525 3.180 1.00 0.00 C ATOM 735 CD LYS A 48 -7.837 -4.550 4.557 1.00 0.00 C ATOM 736 CE LYS A 48 -9.204 -3.867 4.478 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.031 -2.393 4.609 1.00 0.00 N ATOM 0 H LYS A 48 -3.794 -6.570 2.764 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.851 -5.594 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.074 -6.362 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.213 -4.926 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.968 -3.497 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.840 -4.949 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.953 -5.579 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.207 -4.042 5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.687 -4.104 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.855 -4.239 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.960 -1.928 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.587 -2.176 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.425 -2.045 3.839 1.00 0.00 H new ATOM 751 N ASP A 49 -3.738 -3.335 2.276 1.00 0.00 N ATOM 752 CA ASP A 49 -3.259 -1.972 2.081 1.00 0.00 C ATOM 753 C ASP A 49 -2.658 -1.803 0.689 1.00 0.00 C ATOM 754 O ASP A 49 -2.866 -0.784 0.032 1.00 0.00 O ATOM 755 CB ASP A 49 -2.206 -1.634 3.138 1.00 0.00 C ATOM 756 CG ASP A 49 -2.844 -1.608 4.522 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.063 -1.605 4.591 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.106 -1.592 5.494 1.00 0.00 O ATOM 0 H ASP A 49 -3.225 -3.869 2.978 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.106 -1.294 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.404 -2.372 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.756 -0.666 2.918 1.00 0.00 H new ATOM 763 N PHE A 50 -1.906 -2.808 0.250 1.00 0.00 N ATOM 764 CA PHE A 50 -1.273 -2.759 -1.064 1.00 0.00 C ATOM 765 C PHE A 50 -2.322 -2.671 -2.166 1.00 0.00 C ATOM 766 O PHE A 50 -2.251 -1.803 -3.037 1.00 0.00 O ATOM 767 CB PHE A 50 -0.419 -4.010 -1.273 1.00 0.00 C ATOM 768 CG PHE A 50 0.320 -3.906 -2.586 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.572 -3.282 -2.637 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.247 -4.435 -3.752 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.258 -3.188 -3.853 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.439 -4.341 -4.969 1.00 0.00 C ATOM 773 CZ PHE A 50 1.691 -3.718 -5.020 1.00 0.00 C ATOM 0 H PHE A 50 -1.721 -3.660 0.780 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.643 -1.871 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.290 -4.119 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.050 -4.898 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.009 -2.873 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.213 -4.915 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.224 -2.707 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.002 -4.749 -5.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.220 -3.646 -5.959 1.00 0.00 H new ATOM 783 N MET A 51 -3.293 -3.574 -2.121 1.00 0.00 N ATOM 784 CA MET A 51 -4.351 -3.590 -3.122 1.00 0.00 C ATOM 785 C MET A 51 -5.152 -2.293 -3.066 1.00 0.00 C ATOM 786 O MET A 51 -5.559 -1.756 -4.096 1.00 0.00 O ATOM 787 CB MET A 51 -5.274 -4.787 -2.882 1.00 0.00 C ATOM 788 CG MET A 51 -6.162 -5.002 -4.109 1.00 0.00 C ATOM 789 SD MET A 51 -7.262 -6.408 -3.815 1.00 0.00 S ATOM 790 CE MET A 51 -8.823 -5.501 -3.919 1.00 0.00 C ATOM 0 H MET A 51 -3.370 -4.299 -1.408 1.00 0.00 H new ATOM 0 HA MET A 51 -3.900 -3.679 -4.110 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.683 -5.682 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.890 -4.613 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.747 -4.104 -4.310 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.546 -5.186 -4.990 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.654 -6.189 -3.764 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.845 -4.726 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.911 -5.041 -4.903 1.00 0.00 H new ATOM 800 N THR A 52 -5.367 -1.791 -1.852 1.00 0.00 N ATOM 801 CA THR A 52 -6.113 -0.552 -1.667 1.00 0.00 C ATOM 802 C THR A 52 -5.395 0.614 -2.341 1.00 0.00 C ATOM 803 O THR A 52 -6.028 1.501 -2.914 1.00 0.00 O ATOM 804 CB THR A 52 -6.274 -0.259 -0.173 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.879 -1.375 0.465 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.151 0.979 0.018 1.00 0.00 C ATOM 0 H THR A 52 -5.037 -2.221 -0.988 1.00 0.00 H new ATOM 0 HA THR A 52 -7.096 -0.670 -2.124 1.00 0.00 H new ATOM 0 HB THR A 52 -5.294 -0.076 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.216 -2.089 0.573 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.263 1.185 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.684 1.835 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.132 0.802 -0.423 1.00 0.00 H new ATOM 814 N TYR A 53 -4.068 0.604 -2.262 1.00 0.00 N ATOM 815 CA TYR A 53 -3.262 1.665 -2.859 1.00 0.00 C ATOM 816 C TYR A 53 -3.541 1.787 -4.354 1.00 0.00 C ATOM 817 O TYR A 53 -3.563 2.890 -4.903 1.00 0.00 O ATOM 818 CB TYR A 53 -1.776 1.375 -2.639 1.00 0.00 C ATOM 819 CG TYR A 53 -0.953 2.527 -3.165 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.714 3.643 -2.355 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.429 2.477 -4.462 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.050 4.710 -2.843 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.335 3.545 -4.950 1.00 0.00 C ATOM 824 CZ TYR A 53 0.574 4.662 -4.139 1.00 0.00 C ATOM 825 OH TYR A 53 1.327 5.714 -4.618 1.00 0.00 O ATOM 0 H TYR A 53 -3.529 -0.124 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.528 2.606 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.577 1.227 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.496 0.452 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.119 3.681 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.614 1.615 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.235 5.571 -2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.739 3.507 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 53 1.615 5.520 -5.534 1.00 0.00 H new ATOM 835 N ALA A 54 -3.744 0.650 -5.011 1.00 0.00 N ATOM 836 CA ALA A 54 -4.010 0.647 -6.447 1.00 0.00 C ATOM 837 C ALA A 54 -5.230 1.504 -6.776 1.00 0.00 C ATOM 838 O ALA A 54 -5.291 2.127 -7.835 1.00 0.00 O ATOM 839 CB ALA A 54 -4.245 -0.785 -6.930 1.00 0.00 C ATOM 0 H ALA A 54 -3.730 -0.274 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.142 1.067 -6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.443 -0.780 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.359 -1.387 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.101 -1.210 -6.405 1.00 0.00 H new ATOM 845 N PHE A 55 -6.197 1.534 -5.865 1.00 0.00 N ATOM 846 CA PHE A 55 -7.406 2.322 -6.079 1.00 0.00 C ATOM 847 C PHE A 55 -7.134 3.807 -5.854 1.00 0.00 C ATOM 848 O PHE A 55 -8.002 4.648 -6.088 1.00 0.00 O ATOM 849 CB PHE A 55 -8.516 1.847 -5.141 1.00 0.00 C ATOM 850 CG PHE A 55 -9.003 0.492 -5.595 1.00 0.00 C ATOM 851 CD1 PHE A 55 -10.016 0.402 -6.559 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.441 -0.672 -5.060 1.00 0.00 C ATOM 853 CE1 PHE A 55 -10.466 -0.854 -6.986 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.891 -1.927 -5.487 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.903 -2.018 -6.450 1.00 0.00 C ATOM 0 H PHE A 55 -6.169 1.028 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.726 2.183 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.144 1.789 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.339 2.561 -5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.450 1.301 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.660 -0.602 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.247 -0.924 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.457 -2.825 -5.073 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.249 -2.986 -6.779 1.00 0.00 H new ATOM 865 N GLY A 56 -5.923 4.123 -5.406 1.00 0.00 N ATOM 866 CA GLY A 56 -5.550 5.512 -5.162 1.00 0.00 C ATOM 867 C GLY A 56 -5.725 5.883 -3.695 1.00 0.00 C ATOM 868 O GLY A 56 -5.644 7.055 -3.332 1.00 0.00 O ATOM 0 H GLY A 56 -5.189 3.443 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.513 5.670 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.161 6.169 -5.781 1.00 0.00 H new ATOM 872 N GLY A 57 -5.966 4.879 -2.856 1.00 0.00 N ATOM 873 CA GLY A 57 -6.147 5.118 -1.428 1.00 0.00 C ATOM 874 C GLY A 57 -4.965 5.888 -0.853 1.00 0.00 C ATOM 875 O GLY A 57 -4.089 5.312 -0.207 1.00 0.00 O ATOM 0 H GLY A 57 -6.040 3.901 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.067 5.679 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.255 4.167 -0.907 1.00 0.00 H new ATOM 879 N THR A 58 -4.942 7.194 -1.099 1.00 0.00 N ATOM 880 CA THR A 58 -3.857 8.037 -0.609 1.00 0.00 C ATOM 881 C THR A 58 -4.301 8.849 0.605 1.00 0.00 C ATOM 882 O THR A 58 -3.648 9.824 0.980 1.00 0.00 O ATOM 883 CB THR A 58 -3.390 8.984 -1.717 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.451 9.866 -2.062 1.00 0.00 O ATOM 885 CG2 THR A 58 -2.979 8.171 -2.945 1.00 0.00 C ATOM 0 H THR A 58 -5.657 7.689 -1.631 1.00 0.00 H new ATOM 0 HA THR A 58 -3.033 7.390 -0.310 1.00 0.00 H new ATOM 0 HB THR A 58 -2.536 9.563 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.153 10.474 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.647 8.846 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.166 7.496 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.831 7.591 -3.299 1.00 0.00 H new ATOM 893 N ASP A 59 -5.409 8.445 1.219 1.00 0.00 N ATOM 894 CA ASP A 59 -5.916 9.152 2.389 1.00 0.00 C ATOM 895 C ASP A 59 -4.823 9.277 3.446 1.00 0.00 C ATOM 896 O ASP A 59 -4.703 10.305 4.113 1.00 0.00 O ATOM 897 CB ASP A 59 -7.115 8.403 2.974 1.00 0.00 C ATOM 898 CG ASP A 59 -8.302 8.496 2.021 1.00 0.00 C ATOM 899 OD1 ASP A 59 -8.231 9.286 1.093 1.00 0.00 O ATOM 900 OD2 ASP A 59 -9.264 7.777 2.232 1.00 0.00 O ATOM 0 H ASP A 59 -5.967 7.641 0.930 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.230 10.150 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.855 7.358 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.381 8.826 3.943 1.00 0.00 H new ATOM 905 N ARG A 60 -4.023 8.226 3.584 1.00 0.00 N ATOM 906 CA ARG A 60 -2.934 8.223 4.552 1.00 0.00 C ATOM 907 C ARG A 60 -1.897 7.170 4.178 1.00 0.00 C ATOM 908 O ARG A 60 -1.905 6.057 4.703 1.00 0.00 O ATOM 909 CB ARG A 60 -3.474 7.951 5.959 1.00 0.00 C ATOM 910 CG ARG A 60 -4.479 6.798 5.920 1.00 0.00 C ATOM 911 CD ARG A 60 -5.142 6.659 7.291 1.00 0.00 C ATOM 912 NE ARG A 60 -6.008 7.804 7.550 1.00 0.00 N ATOM 913 CZ ARG A 60 -6.374 8.123 8.787 1.00 0.00 C ATOM 914 NH1 ARG A 60 -5.964 7.403 9.796 1.00 0.00 N ATOM 915 NH2 ARG A 60 -7.145 9.156 8.993 1.00 0.00 N ATOM 0 H ARG A 60 -4.108 7.368 3.039 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.459 9.204 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.652 7.705 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.952 8.848 6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.233 6.984 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.975 5.870 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.723 5.738 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.379 6.588 8.066 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.338 8.370 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.362 6.595 9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.245 7.648 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.466 9.718 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.426 9.401 9.942 1.00 0.00 H new ATOM 929 N PHE A 61 -1.006 7.533 3.261 1.00 0.00 N ATOM 930 CA PHE A 61 0.034 6.613 2.815 1.00 0.00 C ATOM 931 C PHE A 61 1.399 7.303 2.738 1.00 0.00 C ATOM 932 O PHE A 61 2.319 6.936 3.469 1.00 0.00 O ATOM 933 CB PHE A 61 -0.336 6.017 1.453 1.00 0.00 C ATOM 934 CG PHE A 61 -1.118 4.743 1.663 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.461 4.804 2.056 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.504 3.500 1.467 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.188 3.624 2.254 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.231 2.319 1.665 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.572 2.381 2.058 1.00 0.00 C ATOM 0 H PHE A 61 -0.983 8.450 2.815 1.00 0.00 H new ATOM 0 HA PHE A 61 0.107 5.811 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.928 6.730 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.565 5.813 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.936 5.762 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.531 3.452 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.223 3.672 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.756 1.361 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.133 1.471 2.210 1.00 0.00 H new ATOM 949 N PRO A 62 1.560 8.288 1.883 1.00 0.00 N ATOM 950 CA PRO A 62 2.856 9.011 1.748 1.00 0.00 C ATOM 951 C PRO A 62 3.394 9.456 3.104 1.00 0.00 C ATOM 952 O PRO A 62 4.561 9.829 3.230 1.00 0.00 O ATOM 953 CB PRO A 62 2.537 10.223 0.858 1.00 0.00 C ATOM 954 CG PRO A 62 1.054 10.230 0.662 1.00 0.00 C ATOM 955 CD PRO A 62 0.553 8.818 0.958 1.00 0.00 C ATOM 0 HA PRO A 62 3.631 8.375 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.870 11.148 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.054 10.148 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.581 10.953 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.802 10.522 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.440 8.830 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.485 8.217 0.051 1.00 0.00 H new ATOM 963 N GLY A 63 2.536 9.404 4.119 1.00 0.00 N ATOM 964 CA GLY A 63 2.934 9.793 5.466 1.00 0.00 C ATOM 965 C GLY A 63 3.622 8.633 6.177 1.00 0.00 C ATOM 966 O GLY A 63 3.896 7.598 5.568 1.00 0.00 O ATOM 0 H GLY A 63 1.567 9.098 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.607 10.649 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.058 10.107 6.034 1.00 0.00 H new ATOM 970 N ARG A 64 3.902 8.809 7.463 1.00 0.00 N ATOM 971 CA ARG A 64 4.563 7.763 8.237 1.00 0.00 C ATOM 972 C ARG A 64 5.806 7.267 7.503 1.00 0.00 C ATOM 973 O ARG A 64 6.265 6.146 7.728 1.00 0.00 O ATOM 974 CB ARG A 64 3.604 6.593 8.464 1.00 0.00 C ATOM 975 CG ARG A 64 2.419 7.057 9.314 1.00 0.00 C ATOM 976 CD ARG A 64 1.507 5.866 9.612 1.00 0.00 C ATOM 977 NE ARG A 64 0.270 6.320 10.242 1.00 0.00 N ATOM 978 CZ ARG A 64 0.146 6.374 11.566 1.00 0.00 C ATOM 979 NH1 ARG A 64 1.138 6.015 12.336 1.00 0.00 N ATOM 980 NH2 ARG A 64 -0.972 6.786 12.098 1.00 0.00 N ATOM 0 H ARG A 64 3.685 9.656 7.988 1.00 0.00 H new ATOM 0 HA ARG A 64 4.859 8.179 9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.250 6.209 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.124 5.775 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.776 7.497 10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.862 7.832 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.279 5.334 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.020 5.162 10.267 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.515 6.602 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.013 5.691 11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.038 6.058 13.350 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.749 7.066 11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.069 6.828 13.113 1.00 0.00 H new ATOM 994 N SER A 65 6.341 8.110 6.626 1.00 0.00 N ATOM 995 CA SER A 65 7.529 7.754 5.857 1.00 0.00 C ATOM 996 C SER A 65 7.527 6.267 5.514 1.00 0.00 C ATOM 997 O SER A 65 8.075 5.447 6.251 1.00 0.00 O ATOM 998 CB SER A 65 8.788 8.096 6.654 1.00 0.00 C ATOM 999 OG SER A 65 9.178 9.432 6.363 1.00 0.00 O ATOM 0 H SER A 65 5.973 9.041 6.430 1.00 0.00 H new ATOM 0 HA SER A 65 7.520 8.325 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.598 7.984 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.593 7.406 6.399 1.00 0.00 H new ATOM 0 HG SER A 65 9.984 9.656 6.873 1.00 0.00 H new ATOM 1005 N MET A 66 6.906 5.929 4.388 1.00 0.00 N ATOM 1006 CA MET A 66 6.834 4.538 3.948 1.00 0.00 C ATOM 1007 C MET A 66 8.228 3.958 3.739 1.00 0.00 C ATOM 1008 O MET A 66 8.458 2.773 3.977 1.00 0.00 O ATOM 1009 CB MET A 66 6.044 4.445 2.643 1.00 0.00 C ATOM 1010 CG MET A 66 4.569 4.748 2.915 1.00 0.00 C ATOM 1011 SD MET A 66 3.865 3.429 3.936 1.00 0.00 S ATOM 1012 CE MET A 66 3.093 4.487 5.185 1.00 0.00 C ATOM 0 H MET A 66 6.447 6.595 3.766 1.00 0.00 H new ATOM 0 HA MET A 66 6.331 3.963 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.442 5.150 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.148 3.449 2.213 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.471 5.708 3.422 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.023 4.827 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.811 3.884 6.048 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.798 5.258 5.495 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.204 4.957 4.765 1.00 0.00 H new ATOM 1022 N ARG A 67 9.153 4.795 3.281 1.00 0.00 N ATOM 1023 CA ARG A 67 10.516 4.342 3.033 1.00 0.00 C ATOM 1024 C ARG A 67 11.115 3.715 4.288 1.00 0.00 C ATOM 1025 O ARG A 67 11.820 2.710 4.208 1.00 0.00 O ATOM 1026 CB ARG A 67 11.385 5.519 2.587 1.00 0.00 C ATOM 1027 CG ARG A 67 10.863 6.062 1.257 1.00 0.00 C ATOM 1028 CD ARG A 67 11.794 7.164 0.752 1.00 0.00 C ATOM 1029 NE ARG A 67 11.199 7.839 -0.396 1.00 0.00 N ATOM 1030 CZ ARG A 67 10.357 8.854 -0.235 1.00 0.00 C ATOM 1031 NH1 ARG A 67 10.061 9.271 0.966 1.00 0.00 N ATOM 1032 NH2 ARG A 67 9.829 9.435 -1.277 1.00 0.00 N ATOM 0 H ARG A 67 8.986 5.780 3.076 1.00 0.00 H new ATOM 0 HA ARG A 67 10.487 3.590 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.370 6.304 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.422 5.200 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.803 5.258 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.854 6.454 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.983 7.884 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.757 6.737 0.473 1.00 0.00 H new ATOM 0 HE ARG A 67 11.433 7.527 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.476 8.818 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.415 10.050 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.063 9.110 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.183 10.214 -1.153 1.00 0.00 H new ATOM 1046 N ALA A 68 10.831 4.309 5.441 1.00 0.00 N ATOM 1047 CA ALA A 68 11.354 3.793 6.701 1.00 0.00 C ATOM 1048 C ALA A 68 10.801 2.400 6.991 1.00 0.00 C ATOM 1049 O ALA A 68 11.512 1.536 7.502 1.00 0.00 O ATOM 1050 CB ALA A 68 10.984 4.736 7.847 1.00 0.00 C ATOM 0 H ALA A 68 10.247 5.141 5.530 1.00 0.00 H new ATOM 0 HA ALA A 68 12.439 3.728 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.379 4.343 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.410 5.722 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.899 4.817 7.916 1.00 0.00 H new ATOM 1056 N ALA A 69 9.530 2.192 6.664 1.00 0.00 N ATOM 1057 CA ALA A 69 8.896 0.899 6.898 1.00 0.00 C ATOM 1058 C ALA A 69 9.550 -0.188 6.051 1.00 0.00 C ATOM 1059 O ALA A 69 9.671 -1.334 6.483 1.00 0.00 O ATOM 1060 CB ALA A 69 7.404 0.978 6.567 1.00 0.00 C ATOM 0 H ALA A 69 8.923 2.894 6.240 1.00 0.00 H new ATOM 0 HA ALA A 69 9.022 0.645 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.940 0.008 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.930 1.728 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.278 1.254 5.520 1.00 0.00 H new ATOM 1066 N HIS A 70 9.966 0.175 4.843 1.00 0.00 N ATOM 1067 CA HIS A 70 10.602 -0.785 3.947 1.00 0.00 C ATOM 1068 C HIS A 70 12.119 -0.766 4.121 1.00 0.00 C ATOM 1069 O HIS A 70 12.809 -1.703 3.718 1.00 0.00 O ATOM 1070 CB HIS A 70 10.245 -0.460 2.496 1.00 0.00 C ATOM 1071 CG HIS A 70 8.757 -0.581 2.308 1.00 0.00 C ATOM 1072 ND1 HIS A 70 7.915 0.519 2.345 1.00 0.00 N ATOM 1073 CD2 HIS A 70 7.944 -1.667 2.088 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.659 0.076 2.153 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.620 -1.249 1.990 1.00 0.00 N ATOM 0 H HIS A 70 9.876 1.118 4.464 1.00 0.00 H new ATOM 0 HA HIS A 70 10.236 -1.781 4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.573 0.549 2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.764 -1.140 1.821 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.196 1.488 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.281 -2.690 2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.788 0.714 2.133 1.00 0.00 H new ATOM 1083 N GLN A 71 12.630 0.303 4.722 1.00 0.00 N ATOM 1084 CA GLN A 71 14.068 0.429 4.941 1.00 0.00 C ATOM 1085 C GLN A 71 14.584 -0.718 5.803 1.00 0.00 C ATOM 1086 O GLN A 71 15.676 -1.239 5.572 1.00 0.00 O ATOM 1087 CB GLN A 71 14.378 1.759 5.630 1.00 0.00 C ATOM 1088 CG GLN A 71 15.891 1.974 5.675 1.00 0.00 C ATOM 1089 CD GLN A 71 16.216 3.218 6.495 1.00 0.00 C ATOM 1090 OE1 GLN A 71 17.386 3.544 6.696 1.00 0.00 O ATOM 1091 NE2 GLN A 71 15.242 3.935 6.988 1.00 0.00 N ATOM 0 H GLN A 71 12.077 1.089 5.064 1.00 0.00 H new ATOM 0 HA GLN A 71 14.565 0.394 3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.900 2.578 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.970 1.760 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.378 1.102 6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.282 2.083 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.273 3.663 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.450 4.767 7.541 1.00 0.00 H new ATOM 1100 N ASP A 72 13.797 -1.103 6.801 1.00 0.00 N ATOM 1101 CA ASP A 72 14.188 -2.186 7.697 1.00 0.00 C ATOM 1102 C ASP A 72 14.446 -3.469 6.916 1.00 0.00 C ATOM 1103 O ASP A 72 15.379 -4.214 7.217 1.00 0.00 O ATOM 1104 CB ASP A 72 13.089 -2.429 8.732 1.00 0.00 C ATOM 1105 CG ASP A 72 12.966 -1.222 9.656 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.860 -0.391 9.636 1.00 0.00 O ATOM 1107 OD2 ASP A 72 11.980 -1.144 10.370 1.00 0.00 O ATOM 0 H ASP A 72 12.890 -0.685 7.010 1.00 0.00 H new ATOM 0 HA ASP A 72 15.108 -1.895 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.139 -2.611 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.318 -3.321 9.315 1.00 0.00 H new ATOM 1112 N LEU A 73 13.615 -3.725 5.911 1.00 0.00 N ATOM 1113 CA LEU A 73 13.768 -4.927 5.097 1.00 0.00 C ATOM 1114 C LEU A 73 15.106 -4.914 4.367 1.00 0.00 C ATOM 1115 O LEU A 73 15.768 -5.945 4.248 1.00 0.00 O ATOM 1116 CB LEU A 73 12.635 -5.012 4.072 1.00 0.00 C ATOM 1117 CG LEU A 73 11.284 -4.977 4.787 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.162 -5.136 3.759 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.208 -6.121 5.800 1.00 0.00 C ATOM 0 H LEU A 73 12.836 -3.124 5.642 1.00 0.00 H new ATOM 0 HA LEU A 73 13.732 -5.794 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.706 -4.182 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.726 -5.930 3.492 1.00 0.00 H new ATOM 0 HG LEU A 73 11.174 -4.025 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.198 -5.111 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.213 -4.322 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.275 -6.088 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.244 -6.094 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.318 -7.074 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.008 -6.012 6.533 1.00 0.00 H new ATOM 1131 N VAL A 74 15.497 -3.742 3.878 1.00 0.00 N ATOM 1132 CA VAL A 74 16.757 -3.607 3.156 1.00 0.00 C ATOM 1133 C VAL A 74 17.942 -3.875 4.078 1.00 0.00 C ATOM 1134 O VAL A 74 18.905 -4.536 3.689 1.00 0.00 O ATOM 1135 CB VAL A 74 16.874 -2.199 2.569 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.257 -2.023 1.939 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.800 -2.003 1.497 1.00 0.00 C ATOM 0 H VAL A 74 14.964 -2.877 3.967 1.00 0.00 H new ATOM 0 HA VAL A 74 16.769 -4.341 2.350 1.00 0.00 H new ATOM 0 HB VAL A 74 16.737 -1.463 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.341 -1.020 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.024 -2.164 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.392 -2.759 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 74 15.883 -1.000 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 74 15.938 -2.739 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.813 -2.130 1.943 1.00 0.00 H new ATOM 1147 N GLU A 75 17.868 -3.353 5.298 1.00 0.00 N ATOM 1148 CA GLU A 75 18.945 -3.538 6.263 1.00 0.00 C ATOM 1149 C GLU A 75 19.104 -5.013 6.624 1.00 0.00 C ATOM 1150 O GLU A 75 20.218 -5.492 6.832 1.00 0.00 O ATOM 1151 CB GLU A 75 18.655 -2.731 7.531 1.00 0.00 C ATOM 1152 CG GLU A 75 18.663 -1.236 7.205 1.00 0.00 C ATOM 1153 CD GLU A 75 20.050 -0.812 6.729 1.00 0.00 C ATOM 1154 OE1 GLU A 75 20.991 -1.547 6.977 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.149 0.242 6.123 1.00 0.00 O ATOM 0 H GLU A 75 17.080 -2.803 5.640 1.00 0.00 H new ATOM 0 HA GLU A 75 19.872 -3.187 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.687 -3.018 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.403 -2.951 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.923 -1.020 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.381 -0.662 8.087 1.00 0.00 H new ATOM 1162 N ASN A 76 17.985 -5.726 6.701 1.00 0.00 N ATOM 1163 CA ASN A 76 18.021 -7.144 7.042 1.00 0.00 C ATOM 1164 C ASN A 76 18.172 -8.001 5.789 1.00 0.00 C ATOM 1165 O ASN A 76 19.150 -8.733 5.642 1.00 0.00 O ATOM 1166 CB ASN A 76 16.738 -7.536 7.777 1.00 0.00 C ATOM 1167 CG ASN A 76 16.647 -6.787 9.102 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.647 -6.263 9.590 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.499 -6.706 9.718 1.00 0.00 N ATOM 0 H ASN A 76 17.051 -5.351 6.534 1.00 0.00 H new ATOM 0 HA ASN A 76 18.881 -7.317 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.870 -7.306 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.725 -8.611 7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.430 -6.208 10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.671 -7.141 9.312 1.00 0.00 H new ATOM 1176 N ALA A 77 17.197 -7.906 4.891 1.00 0.00 N ATOM 1177 CA ALA A 77 17.231 -8.682 3.655 1.00 0.00 C ATOM 1178 C ALA A 77 17.466 -7.772 2.453 1.00 0.00 C ATOM 1179 O ALA A 77 17.013 -6.628 2.431 1.00 0.00 O ATOM 1180 CB ALA A 77 15.913 -9.437 3.478 1.00 0.00 C ATOM 0 H ALA A 77 16.379 -7.305 4.994 1.00 0.00 H new ATOM 0 HA ALA A 77 18.053 -9.395 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.945 -10.014 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.764 -10.111 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.089 -8.725 3.433 1.00 0.00 H new ATOM 1186 N GLY A 78 18.171 -8.290 1.453 1.00 0.00 N ATOM 1187 CA GLY A 78 18.452 -7.515 0.251 1.00 0.00 C ATOM 1188 C GLY A 78 17.222 -7.451 -0.650 1.00 0.00 C ATOM 1189 O GLY A 78 16.645 -8.480 -1.000 1.00 0.00 O ATOM 0 H GLY A 78 18.555 -9.235 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.760 -6.506 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.283 -7.965 -0.292 1.00 0.00 H new ATOM 1193 N LEU A 79 16.826 -6.238 -1.019 1.00 0.00 N ATOM 1194 CA LEU A 79 15.661 -6.054 -1.877 1.00 0.00 C ATOM 1195 C LEU A 79 16.089 -5.705 -3.299 1.00 0.00 C ATOM 1196 O LEU A 79 16.941 -4.841 -3.506 1.00 0.00 O ATOM 1197 CB LEU A 79 14.774 -4.939 -1.319 1.00 0.00 C ATOM 1198 CG LEU A 79 13.479 -4.858 -2.130 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.644 -6.120 -1.901 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.678 -3.633 -1.684 1.00 0.00 C ATOM 0 H LEU A 79 17.290 -5.374 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 79 15.100 -6.988 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.547 -5.132 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.301 -3.986 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 79 13.722 -4.774 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.723 -6.057 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.213 -6.995 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.401 -6.208 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.755 -3.573 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.439 -3.721 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.269 -2.732 -1.850 1.00 0.00 H new ATOM 1212 N THR A 80 15.494 -6.383 -4.277 1.00 0.00 N ATOM 1213 CA THR A 80 15.827 -6.134 -5.676 1.00 0.00 C ATOM 1214 C THR A 80 14.591 -5.699 -6.461 1.00 0.00 C ATOM 1215 O THR A 80 13.458 -5.902 -6.022 1.00 0.00 O ATOM 1216 CB THR A 80 16.427 -7.394 -6.300 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.458 -8.430 -6.296 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.651 -7.832 -5.495 1.00 0.00 C ATOM 0 H THR A 80 14.786 -7.102 -4.129 1.00 0.00 H new ATOM 0 HA THR A 80 16.559 -5.328 -5.717 1.00 0.00 H new ATOM 0 HB THR A 80 16.728 -7.183 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.716 -8.182 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.077 -8.730 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.395 -7.035 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.354 -8.043 -4.468 1.00 0.00 H new ATOM 1226 N ASP A 81 14.824 -5.086 -7.617 1.00 0.00 N ATOM 1227 CA ASP A 81 13.736 -4.601 -8.463 1.00 0.00 C ATOM 1228 C ASP A 81 12.813 -5.733 -8.914 1.00 0.00 C ATOM 1229 O ASP A 81 11.602 -5.542 -9.029 1.00 0.00 O ATOM 1230 CB ASP A 81 14.313 -3.902 -9.695 1.00 0.00 C ATOM 1231 CG ASP A 81 15.054 -2.637 -9.277 1.00 0.00 C ATOM 1232 OD1 ASP A 81 14.936 -2.260 -8.123 1.00 0.00 O ATOM 1233 OD2 ASP A 81 15.727 -2.062 -10.118 1.00 0.00 O ATOM 0 H ASP A 81 15.757 -4.913 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 81 13.147 -3.901 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.992 -4.574 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.512 -3.651 -10.390 1.00 0.00 H new ATOM 1238 N VAL A 82 13.384 -6.900 -9.189 1.00 0.00 N ATOM 1239 CA VAL A 82 12.586 -8.034 -9.649 1.00 0.00 C ATOM 1240 C VAL A 82 11.421 -8.304 -8.700 1.00 0.00 C ATOM 1241 O VAL A 82 10.328 -8.664 -9.137 1.00 0.00 O ATOM 1242 CB VAL A 82 13.459 -9.287 -9.763 1.00 0.00 C ATOM 1243 CG1 VAL A 82 13.668 -9.896 -8.377 1.00 0.00 C ATOM 1244 CG2 VAL A 82 12.765 -10.308 -10.667 1.00 0.00 C ATOM 0 H VAL A 82 14.383 -7.087 -9.104 1.00 0.00 H new ATOM 0 HA VAL A 82 12.184 -7.785 -10.631 1.00 0.00 H new ATOM 0 HB VAL A 82 14.426 -9.017 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.290 -10.787 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.161 -9.170 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.703 -10.166 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.384 -11.201 -10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.799 -10.575 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.617 -9.876 -11.657 1.00 0.00 H new ATOM 1254 N HIS A 83 11.656 -8.128 -7.404 1.00 0.00 N ATOM 1255 CA HIS A 83 10.608 -8.359 -6.416 1.00 0.00 C ATOM 1256 C HIS A 83 9.394 -7.484 -6.710 1.00 0.00 C ATOM 1257 O HIS A 83 8.255 -7.951 -6.670 1.00 0.00 O ATOM 1258 CB HIS A 83 11.136 -8.052 -5.013 1.00 0.00 C ATOM 1259 CG HIS A 83 12.200 -9.050 -4.648 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.542 -8.835 -4.923 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.136 -10.275 -4.031 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.224 -9.906 -4.476 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.415 -10.812 -3.923 1.00 0.00 N ATOM 0 H HIS A 83 12.551 -7.830 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 83 10.308 -9.406 -6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.543 -7.042 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.322 -8.092 -4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.231 -10.750 -3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.295 -10.018 -4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.678 -11.707 -3.510 1.00 0.00 H new ATOM 1271 N PHE A 84 9.645 -6.213 -7.008 1.00 0.00 N ATOM 1272 CA PHE A 84 8.566 -5.281 -7.310 1.00 0.00 C ATOM 1273 C PHE A 84 7.812 -5.719 -8.563 1.00 0.00 C ATOM 1274 O PHE A 84 6.581 -5.711 -8.594 1.00 0.00 O ATOM 1275 CB PHE A 84 9.135 -3.877 -7.523 1.00 0.00 C ATOM 1276 CG PHE A 84 8.005 -2.895 -7.714 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.383 -2.318 -6.601 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.580 -2.560 -9.005 1.00 0.00 C ATOM 1279 CE1 PHE A 84 6.336 -1.406 -6.778 1.00 0.00 C ATOM 1280 CE2 PHE A 84 6.533 -1.648 -9.183 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.910 -1.071 -8.069 1.00 0.00 C ATOM 0 H PHE A 84 10.580 -5.807 -7.047 1.00 0.00 H new ATOM 0 HA PHE A 84 7.874 -5.271 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.742 -3.586 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.789 -3.867 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.711 -2.577 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.060 -3.005 -9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.857 -0.961 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.206 -1.389 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.102 -0.368 -8.206 1.00 0.00 H new ATOM 1291 N ASP A 85 8.560 -6.098 -9.593 1.00 0.00 N ATOM 1292 CA ASP A 85 7.957 -6.534 -10.847 1.00 0.00 C ATOM 1293 C ASP A 85 7.069 -7.755 -10.630 1.00 0.00 C ATOM 1294 O ASP A 85 6.019 -7.889 -11.258 1.00 0.00 O ATOM 1295 CB ASP A 85 9.051 -6.873 -11.860 1.00 0.00 C ATOM 1296 CG ASP A 85 8.430 -7.161 -13.222 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.176 -6.213 -13.947 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.218 -8.324 -13.520 1.00 0.00 O ATOM 0 H ASP A 85 9.580 -6.112 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 85 7.341 -5.720 -11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.754 -6.044 -11.940 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.618 -7.739 -11.519 1.00 0.00 H new ATOM 1303 N ALA A 86 7.501 -8.650 -9.746 1.00 0.00 N ATOM 1304 CA ALA A 86 6.738 -9.862 -9.470 1.00 0.00 C ATOM 1305 C ALA A 86 5.416 -9.535 -8.780 1.00 0.00 C ATOM 1306 O ALA A 86 4.345 -9.864 -9.289 1.00 0.00 O ATOM 1307 CB ALA A 86 7.558 -10.800 -8.582 1.00 0.00 C ATOM 0 H ALA A 86 8.366 -8.560 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 86 6.520 -10.349 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.983 -11.704 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.484 -11.066 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.791 -10.300 -7.642 1.00 0.00 H new ATOM 1313 N ILE A 87 5.496 -8.891 -7.620 1.00 0.00 N ATOM 1314 CA ILE A 87 4.292 -8.534 -6.877 1.00 0.00 C ATOM 1315 C ILE A 87 3.430 -7.563 -7.678 1.00 0.00 C ATOM 1316 O ILE A 87 2.203 -7.586 -7.584 1.00 0.00 O ATOM 1317 CB ILE A 87 4.669 -7.903 -5.534 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.434 -7.849 -4.631 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.194 -6.484 -5.763 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.861 -7.503 -3.203 1.00 0.00 C ATOM 0 H ILE A 87 6.371 -8.608 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 87 3.719 -9.444 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 87 5.444 -8.504 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.731 -7.103 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.918 -8.809 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.462 -6.036 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.074 -6.521 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.421 -5.883 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.982 -7.464 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.548 -8.265 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.358 -6.533 -3.197 1.00 0.00 H new ATOM 1332 N ALA A 88 4.079 -6.713 -8.466 1.00 0.00 N ATOM 1333 CA ALA A 88 3.357 -5.740 -9.278 1.00 0.00 C ATOM 1334 C ALA A 88 2.583 -6.438 -10.391 1.00 0.00 C ATOM 1335 O ALA A 88 1.424 -6.115 -10.653 1.00 0.00 O ATOM 1336 CB ALA A 88 4.339 -4.739 -9.889 1.00 0.00 C ATOM 0 H ALA A 88 5.094 -6.677 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 88 2.651 -5.213 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.792 -4.016 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.870 -4.218 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.055 -5.269 -10.517 1.00 0.00 H new ATOM 1342 N GLU A 89 3.233 -7.397 -11.043 1.00 0.00 N ATOM 1343 CA GLU A 89 2.597 -8.136 -12.128 1.00 0.00 C ATOM 1344 C GLU A 89 1.388 -8.912 -11.616 1.00 0.00 C ATOM 1345 O GLU A 89 0.374 -9.022 -12.305 1.00 0.00 O ATOM 1346 CB GLU A 89 3.600 -9.105 -12.757 1.00 0.00 C ATOM 1347 CG GLU A 89 2.970 -9.769 -13.982 1.00 0.00 C ATOM 1348 CD GLU A 89 3.922 -10.811 -14.558 1.00 0.00 C ATOM 1349 OE1 GLU A 89 4.986 -10.990 -13.989 1.00 0.00 O ATOM 1350 OE2 GLU A 89 3.574 -11.414 -15.559 1.00 0.00 O ATOM 0 H GLU A 89 4.192 -7.679 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 89 2.261 -7.421 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.506 -8.571 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.894 -9.863 -12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.027 -10.240 -13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.742 -9.016 -14.737 1.00 0.00 H new ATOM 1357 N ASN A 90 1.503 -9.449 -10.406 1.00 0.00 N ATOM 1358 CA ASN A 90 0.413 -10.216 -9.817 1.00 0.00 C ATOM 1359 C ASN A 90 -0.854 -9.371 -9.725 1.00 0.00 C ATOM 1360 O ASN A 90 -1.959 -9.868 -9.939 1.00 0.00 O ATOM 1361 CB ASN A 90 0.810 -10.695 -8.418 1.00 0.00 C ATOM 1362 CG ASN A 90 1.982 -11.667 -8.513 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.253 -12.211 -9.583 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.697 -11.917 -7.450 1.00 0.00 N ATOM 0 H ASN A 90 2.333 -9.368 -9.819 1.00 0.00 H new ATOM 0 HA ASN A 90 0.215 -11.077 -10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.083 -9.842 -7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.038 -11.181 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.483 -12.565 -7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.470 -11.464 -6.565 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.686 -8.092 -9.405 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.826 -7.191 -9.288 1.00 0.00 C ATOM 1373 C LEU A 91 -2.559 -7.075 -10.619 1.00 0.00 C ATOM 1374 O LEU A 91 -3.788 -7.039 -10.661 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.354 -5.806 -8.839 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.567 -4.906 -8.588 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.356 -5.422 -7.383 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.089 -3.480 -8.307 1.00 0.00 C ATOM 0 H LEU A 91 0.220 -7.659 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.511 -7.599 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.757 -5.891 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.713 -5.364 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.209 -4.914 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.218 -4.778 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.697 -6.439 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.716 -5.418 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.950 -2.836 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.446 -3.479 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.530 -3.108 -9.166 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.797 -7.017 -11.707 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.390 -6.905 -13.033 1.00 0.00 C ATOM 1392 C VAL A 92 -3.217 -8.145 -13.357 1.00 0.00 C ATOM 1393 O VAL A 92 -4.323 -8.045 -13.888 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.292 -6.733 -14.083 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.911 -6.771 -15.481 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.591 -5.389 -13.873 1.00 0.00 C ATOM 0 H VAL A 92 -0.777 -7.045 -11.697 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.044 -6.033 -13.045 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.567 -7.541 -13.985 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.128 -6.648 -16.229 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.410 -7.728 -15.632 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.637 -5.964 -15.580 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.192 -5.266 -14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.316 -4.581 -13.971 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.149 -5.361 -12.877 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.672 -9.313 -13.033 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.366 -10.568 -13.295 1.00 0.00 C ATOM 1408 C LEU A 93 -4.653 -10.655 -12.479 1.00 0.00 C ATOM 1409 O LEU A 93 -5.660 -11.185 -12.948 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.458 -11.750 -12.941 1.00 0.00 C ATOM 1411 CG LEU A 93 -1.151 -11.649 -13.729 1.00 0.00 C ATOM 1412 CD1 LEU A 93 -0.272 -12.862 -13.414 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.456 -11.620 -15.229 1.00 0.00 C ATOM 0 H LEU A 93 -1.758 -9.416 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.619 -10.604 -14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.250 -11.754 -11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.961 -12.689 -13.171 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.629 -10.735 -13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.660 -12.791 -13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.052 -12.885 -12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.797 -13.775 -13.696 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.523 -11.548 -15.789 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.979 -12.534 -15.512 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.083 -10.758 -15.456 1.00 0.00 H new ATOM 1425 N THR A 94 -4.611 -10.137 -11.256 1.00 0.00 N ATOM 1426 CA THR A 94 -5.781 -10.170 -10.385 1.00 0.00 C ATOM 1427 C THR A 94 -6.959 -9.450 -11.033 1.00 0.00 C ATOM 1428 O THR A 94 -8.093 -9.927 -10.981 1.00 0.00 O ATOM 1429 CB THR A 94 -5.451 -9.508 -9.045 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.304 -10.128 -8.482 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.638 -9.662 -8.093 1.00 0.00 C ATOM 0 H THR A 94 -3.788 -9.693 -10.848 1.00 0.00 H new ATOM 0 HA THR A 94 -6.056 -11.212 -10.221 1.00 0.00 H new ATOM 0 HB THR A 94 -5.250 -8.448 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.508 -9.864 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.403 -9.191 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.517 -9.185 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.842 -10.721 -7.934 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.685 -8.302 -11.644 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.737 -7.531 -12.298 1.00 0.00 C ATOM 1441 C LEU A 95 -8.333 -8.318 -13.460 1.00 0.00 C ATOM 1442 O LEU A 95 -9.535 -8.246 -13.718 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.172 -6.202 -12.810 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.568 -5.413 -11.643 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.061 -4.062 -12.149 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.636 -5.182 -10.572 1.00 0.00 C ATOM 0 H LEU A 95 -5.754 -7.888 -11.700 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.523 -7.332 -11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.411 -6.387 -13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.961 -5.620 -13.286 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.740 -5.979 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.631 -3.501 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.299 -4.222 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.891 -3.499 -12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.205 -4.621 -9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.464 -4.618 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.001 -6.143 -10.209 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.487 -9.070 -14.157 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.947 -9.868 -15.287 1.00 0.00 C ATOM 1460 C GLN A 96 -8.991 -10.883 -14.834 1.00 0.00 C ATOM 1461 O GLN A 96 -9.955 -11.161 -15.548 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.764 -10.599 -15.926 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.791 -9.577 -16.516 1.00 0.00 C ATOM 1464 CD GLN A 96 -4.580 -10.291 -17.107 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -4.345 -11.463 -16.815 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.793 -9.650 -17.927 1.00 0.00 N ATOM 0 H GLN A 96 -6.489 -9.143 -13.962 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.399 -9.200 -16.020 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.257 -11.212 -15.181 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.118 -11.273 -16.706 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.290 -8.991 -17.287 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.470 -8.879 -15.743 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.990 -8.679 -18.168 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.981 -10.120 -18.327 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.791 -11.430 -13.640 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.720 -12.412 -13.092 1.00 0.00 C ATOM 1477 C GLU A 97 -11.090 -11.782 -12.864 1.00 0.00 C ATOM 1478 O GLU A 97 -12.118 -12.452 -12.961 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.179 -12.959 -11.769 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.877 -13.720 -12.027 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.357 -14.320 -10.725 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.893 -13.979 -9.684 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.429 -15.110 -10.788 1.00 0.00 O ATOM 0 H GLU A 97 -7.999 -11.212 -13.036 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.823 -13.228 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.003 -12.141 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.914 -13.619 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.047 -14.510 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.131 -13.048 -12.451 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.093 -10.489 -12.555 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.338 -9.773 -12.309 1.00 0.00 C ATOM 1492 C LEU A 98 -12.993 -9.362 -13.625 1.00 0.00 C ATOM 1493 O LEU A 98 -14.054 -8.737 -13.632 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.066 -8.527 -11.463 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.335 -8.927 -10.180 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.142 -7.692 -9.297 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.162 -9.967 -9.422 1.00 0.00 C ATOM 0 H LEU A 98 -10.252 -9.919 -12.470 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.015 -10.438 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.465 -7.815 -12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.004 -8.029 -11.219 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.363 -9.350 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.621 -7.976 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.553 -6.949 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.115 -7.270 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.640 -10.251 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.134 -9.544 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.302 -10.848 -10.049 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.355 -9.714 -14.736 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.890 -9.373 -16.049 1.00 0.00 C ATOM 1511 C ASN A 99 -12.974 -7.859 -16.217 1.00 0.00 C ATOM 1512 O ASN A 99 -14.018 -7.322 -16.589 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.280 -9.986 -16.221 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.657 -10.017 -17.699 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.890 -9.559 -18.546 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.799 -10.534 -18.061 1.00 0.00 N ATOM 0 H ASN A 99 -11.475 -10.230 -14.755 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.220 -9.774 -16.809 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.294 -10.996 -15.812 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.014 -9.406 -15.662 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.058 -10.559 -19.047 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.433 -10.913 -17.358 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.867 -7.178 -15.939 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.824 -5.724 -16.059 1.00 0.00 C ATOM 1525 C VAL A 100 -11.139 -5.317 -17.360 1.00 0.00 C ATOM 1526 O VAL A 100 -10.132 -5.908 -17.752 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.071 -5.122 -14.873 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.104 -3.597 -14.967 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.737 -5.564 -13.567 1.00 0.00 C ATOM 0 H VAL A 100 -10.993 -7.605 -15.631 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.847 -5.348 -16.065 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.037 -5.466 -14.890 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.567 -3.169 -14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.630 -3.279 -15.896 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.138 -3.254 -14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.200 -5.135 -12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.772 -5.221 -13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.714 -6.652 -13.497 1.00 0.00 H new ATOM 1539 N SER A 101 -11.693 -4.310 -18.027 1.00 0.00 N ATOM 1540 CA SER A 101 -11.127 -3.839 -19.287 1.00 0.00 C ATOM 1541 C SER A 101 -9.656 -3.479 -19.115 1.00 0.00 C ATOM 1542 O SER A 101 -9.259 -2.905 -18.101 1.00 0.00 O ATOM 1543 CB SER A 101 -11.901 -2.618 -19.782 1.00 0.00 C ATOM 1544 OG SER A 101 -11.378 -2.207 -21.038 1.00 0.00 O ATOM 0 H SER A 101 -12.526 -3.808 -17.720 1.00 0.00 H new ATOM 0 HA SER A 101 -11.207 -4.641 -20.021 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.960 -2.859 -19.877 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.822 -1.806 -19.059 1.00 0.00 H new ATOM 0 HG SER A 101 -11.874 -1.425 -21.359 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.852 -3.827 -20.114 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.420 -3.547 -20.072 1.00 0.00 C ATOM 1552 C GLN A 102 -7.154 -2.051 -19.934 1.00 0.00 C ATOM 1553 O GLN A 102 -6.209 -1.643 -19.259 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.754 -4.067 -21.348 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.233 -3.962 -21.211 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.727 -5.004 -20.220 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -5.091 -6.177 -20.310 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -3.903 -4.646 -19.274 1.00 0.00 N ATOM 0 H GLN A 102 -9.166 -4.302 -20.960 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.001 -4.053 -19.202 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.043 -5.103 -21.525 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.093 -3.490 -22.208 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.761 -4.112 -22.182 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.958 -2.963 -20.873 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.602 -3.674 -19.200 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.560 -5.338 -18.608 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.980 -1.238 -20.583 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.803 0.210 -20.527 1.00 0.00 C ATOM 1569 C ASP A 103 -7.785 0.695 -19.081 1.00 0.00 C ATOM 1570 O ASP A 103 -6.961 1.531 -18.708 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.935 0.903 -21.286 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.824 0.601 -22.776 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.792 0.093 -23.183 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.774 0.881 -23.489 1.00 0.00 O ATOM 0 H ASP A 103 -8.770 -1.551 -21.148 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.848 0.458 -20.991 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.899 0.563 -20.908 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.890 1.979 -21.120 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.691 0.163 -18.267 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.756 0.550 -16.863 1.00 0.00 C ATOM 1581 C LEU A 104 -7.513 0.068 -16.123 1.00 0.00 C ATOM 1582 O LEU A 104 -6.995 0.755 -15.242 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.005 -0.044 -16.210 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.254 0.442 -16.951 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.502 -0.130 -16.275 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.313 1.970 -16.908 1.00 0.00 C ATOM 0 H LEU A 104 -9.383 -0.530 -18.551 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.804 1.637 -16.806 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.957 -1.133 -16.233 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.054 0.250 -15.162 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.212 0.108 -17.988 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.392 0.215 -16.802 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.464 -1.219 -16.302 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.541 0.206 -15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.202 2.315 -17.436 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.354 2.303 -15.871 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.425 2.382 -17.387 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.039 -1.119 -16.490 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.856 -1.690 -15.859 1.00 0.00 C ATOM 1600 C ILE A 105 -4.634 -0.810 -16.105 1.00 0.00 C ATOM 1601 O ILE A 105 -3.797 -0.633 -15.219 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.595 -3.093 -16.409 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.805 -3.985 -16.123 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.356 -3.684 -15.735 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.603 -5.348 -16.785 1.00 0.00 C ATOM 0 H ILE A 105 -7.454 -1.701 -17.218 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.036 -1.748 -14.785 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.430 -3.036 -17.485 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.934 -4.107 -15.048 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.713 -3.516 -16.502 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.170 -4.684 -16.127 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.494 -3.049 -15.938 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.520 -3.741 -14.659 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.465 -5.983 -16.581 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.495 -5.217 -17.862 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.704 -5.817 -16.385 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.535 -0.265 -17.313 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.406 0.589 -17.659 1.00 0.00 C ATOM 1619 C ASP A 106 -3.317 1.775 -16.705 1.00 0.00 C ATOM 1620 O ASP A 106 -2.229 2.151 -16.269 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.555 1.096 -19.094 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.417 -0.063 -20.074 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.991 -1.125 -19.650 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.741 0.126 -21.236 1.00 0.00 O ATOM 0 H ASP A 106 -5.215 -0.398 -18.061 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.492 0.001 -17.574 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.526 1.576 -19.220 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.797 1.851 -19.302 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.466 2.357 -16.379 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.498 3.496 -15.468 1.00 0.00 C ATOM 1631 C GLU A 107 -4.061 3.070 -14.070 1.00 0.00 C ATOM 1632 O GLU A 107 -3.370 3.810 -13.370 1.00 0.00 O ATOM 1633 CB GLU A 107 -5.910 4.080 -15.409 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.285 4.651 -16.777 1.00 0.00 C ATOM 1635 CD GLU A 107 -7.666 5.294 -16.713 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.330 5.125 -15.704 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.040 5.946 -17.674 1.00 0.00 O ATOM 0 H GLU A 107 -5.379 2.063 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.809 4.255 -15.838 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.622 3.308 -15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.960 4.862 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.545 5.389 -17.087 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.278 3.858 -17.525 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.468 1.868 -13.673 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.116 1.345 -12.359 1.00 0.00 C ATOM 1646 C VAL A 108 -2.615 1.090 -12.265 1.00 0.00 C ATOM 1647 O VAL A 108 -1.995 1.344 -11.233 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.873 0.042 -12.098 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.380 -0.582 -10.790 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.370 0.337 -11.988 1.00 0.00 C ATOM 0 H VAL A 108 -5.039 1.241 -14.240 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.393 2.085 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.697 -0.651 -12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.919 -1.511 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.313 -0.791 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.556 0.111 -9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.911 -0.591 -11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.545 1.030 -11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.722 0.782 -12.918 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.039 0.582 -13.349 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.611 0.288 -13.378 1.00 0.00 C ATOM 1662 C VAL A 109 0.207 1.552 -13.134 1.00 0.00 C ATOM 1663 O VAL A 109 1.201 1.527 -12.410 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.230 -0.312 -14.732 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.291 -0.443 -14.824 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.870 -1.695 -14.875 1.00 0.00 C ATOM 0 H VAL A 109 -2.535 0.366 -14.214 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.393 -0.428 -12.586 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.587 0.339 -15.530 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.562 -0.871 -15.789 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.748 0.541 -14.722 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.649 -1.093 -14.026 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.599 -2.123 -15.840 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.513 -2.345 -14.076 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.954 -1.603 -14.811 1.00 0.00 H new ATOM 1676 N THR A 110 -0.215 2.654 -13.745 1.00 0.00 N ATOM 1677 CA THR A 110 0.491 3.919 -13.585 1.00 0.00 C ATOM 1678 C THR A 110 0.511 4.346 -12.120 1.00 0.00 C ATOM 1679 O THR A 110 1.524 4.835 -11.620 1.00 0.00 O ATOM 1680 CB THR A 110 -0.185 5.005 -14.425 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.269 4.572 -15.776 1.00 0.00 O ATOM 1682 CG2 THR A 110 0.633 6.295 -14.351 1.00 0.00 C ATOM 0 H THR A 110 -1.035 2.697 -14.350 1.00 0.00 H new ATOM 0 HA THR A 110 1.518 3.782 -13.924 1.00 0.00 H new ATOM 0 HB THR A 110 -1.187 5.192 -14.039 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.006 3.933 -15.869 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.150 7.067 -14.950 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.697 6.626 -13.315 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.636 6.112 -14.736 1.00 0.00 H new ATOM 1690 N ILE A 111 -0.616 4.164 -11.438 1.00 0.00 N ATOM 1691 CA ILE A 111 -0.715 4.538 -10.032 1.00 0.00 C ATOM 1692 C ILE A 111 0.315 3.787 -9.195 1.00 0.00 C ATOM 1693 O ILE A 111 1.075 4.393 -8.438 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.119 4.230 -9.511 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.145 5.049 -10.299 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.208 4.594 -8.028 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -4.558 4.641 -9.879 1.00 0.00 C ATOM 0 H ILE A 111 -1.467 3.763 -11.833 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.518 5.607 -9.948 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.326 3.167 -9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.993 6.113 -10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.011 4.886 -11.368 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.210 4.374 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.478 4.012 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.000 5.656 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.287 5.225 -10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.707 3.581 -10.084 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.688 4.826 -8.813 1.00 0.00 H new ATOM 1709 N VAL A 112 0.336 2.466 -9.335 1.00 0.00 N ATOM 1710 CA VAL A 112 1.279 1.643 -8.586 1.00 0.00 C ATOM 1711 C VAL A 112 2.644 1.636 -9.266 1.00 0.00 C ATOM 1712 O VAL A 112 3.665 1.376 -8.630 1.00 0.00 O ATOM 1713 CB VAL A 112 0.753 0.211 -8.481 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.661 0.228 -7.898 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.723 -0.424 -9.873 1.00 0.00 C ATOM 0 H VAL A 112 -0.284 1.945 -9.955 1.00 0.00 H new ATOM 0 HA VAL A 112 1.386 2.066 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 112 1.407 -0.369 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -1.036 -0.793 -7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.640 0.681 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.316 0.808 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.348 -1.445 -9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.069 0.157 -10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.730 -0.437 -10.289 1.00 0.00 H new ATOM 1725 N GLY A 113 2.650 1.917 -10.564 1.00 0.00 N ATOM 1726 CA GLY A 113 3.893 1.935 -11.328 1.00 0.00 C ATOM 1727 C GLY A 113 4.562 3.302 -11.263 1.00 0.00 C ATOM 1728 O GLY A 113 5.487 3.585 -12.025 1.00 0.00 O ATOM 0 H GLY A 113 1.814 2.134 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.572 1.176 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.688 1.677 -12.367 1.00 0.00 H new ATOM 1732 N SER A 114 4.091 4.151 -10.354 1.00 0.00 N ATOM 1733 CA SER A 114 4.662 5.484 -10.212 1.00 0.00 C ATOM 1734 C SER A 114 6.149 5.394 -9.886 1.00 0.00 C ATOM 1735 O SER A 114 6.584 4.496 -9.165 1.00 0.00 O ATOM 1736 CB SER A 114 3.938 6.248 -9.103 1.00 0.00 C ATOM 1737 OG SER A 114 2.549 6.303 -9.400 1.00 0.00 O ATOM 0 H SER A 114 3.325 3.943 -9.713 1.00 0.00 H new ATOM 0 HA SER A 114 4.539 6.016 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.097 5.756 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.343 7.256 -9.016 1.00 0.00 H new ATOM 0 HG SER A 114 2.058 5.728 -8.777 1.00 0.00 H new ATOM 1743 N VAL A 115 6.924 6.329 -10.426 1.00 0.00 N ATOM 1744 CA VAL A 115 8.364 6.344 -10.191 1.00 0.00 C ATOM 1745 C VAL A 115 8.678 6.655 -8.730 1.00 0.00 C ATOM 1746 O VAL A 115 9.570 6.049 -8.136 1.00 0.00 O ATOM 1747 CB VAL A 115 9.027 7.390 -11.087 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.505 7.516 -10.716 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.906 6.958 -12.551 1.00 0.00 C ATOM 0 H VAL A 115 6.583 7.081 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 115 8.756 5.355 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 115 8.533 8.352 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.978 8.262 -11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.594 7.822 -9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.998 6.554 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.379 7.703 -13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.400 5.996 -12.689 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.853 6.866 -12.817 1.00 0.00 H new ATOM 1759 N GLN A 116 7.950 7.610 -8.162 1.00 0.00 N ATOM 1760 CA GLN A 116 8.174 8.000 -6.774 1.00 0.00 C ATOM 1761 C GLN A 116 7.965 6.820 -5.829 1.00 0.00 C ATOM 1762 O GLN A 116 8.757 6.603 -4.912 1.00 0.00 O ATOM 1763 CB GLN A 116 7.220 9.133 -6.392 1.00 0.00 C ATOM 1764 CG GLN A 116 7.598 9.677 -5.013 1.00 0.00 C ATOM 1765 CD GLN A 116 6.681 10.837 -4.642 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.891 11.294 -5.467 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.739 11.344 -3.440 1.00 0.00 N ATOM 0 H GLN A 116 7.207 8.124 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 116 9.206 8.338 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.269 9.929 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.192 8.769 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.519 8.887 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.636 10.010 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.395 10.964 -2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.129 12.120 -3.184 1.00 0.00 H new ATOM 1776 N HIS A 117 6.894 6.064 -6.051 1.00 0.00 N ATOM 1777 CA HIS A 117 6.602 4.915 -5.202 1.00 0.00 C ATOM 1778 C HIS A 117 7.680 3.848 -5.351 1.00 0.00 C ATOM 1779 O HIS A 117 8.179 3.314 -4.360 1.00 0.00 O ATOM 1780 CB HIS A 117 5.238 4.324 -5.564 1.00 0.00 C ATOM 1781 CG HIS A 117 4.864 3.274 -4.553 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.065 3.454 -3.194 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.286 2.035 -4.684 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.616 2.353 -2.565 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.129 1.452 -3.428 1.00 0.00 N ATOM 0 H HIS A 117 6.222 6.223 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 117 6.584 5.252 -4.166 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.483 5.110 -5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.272 3.888 -6.562 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.479 4.274 -2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.997 1.581 -5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.645 2.213 -1.495 1.00 0.00 H new ATOM 1793 N ARG A 118 8.036 3.542 -6.594 1.00 0.00 N ATOM 1794 CA ARG A 118 9.058 2.535 -6.855 1.00 0.00 C ATOM 1795 C ARG A 118 10.374 2.927 -6.192 1.00 0.00 C ATOM 1796 O ARG A 118 11.045 2.095 -5.581 1.00 0.00 O ATOM 1797 CB ARG A 118 9.268 2.387 -8.364 1.00 0.00 C ATOM 1798 CG ARG A 118 10.253 1.250 -8.635 1.00 0.00 C ATOM 1799 CD ARG A 118 10.505 1.142 -10.140 1.00 0.00 C ATOM 1800 NE ARG A 118 11.355 -0.008 -10.428 1.00 0.00 N ATOM 1801 CZ ARG A 118 12.666 0.038 -10.213 1.00 0.00 C ATOM 1802 NH1 ARG A 118 13.212 1.123 -9.736 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.407 -1.003 -10.477 1.00 0.00 N ATOM 0 H ARG A 118 7.637 3.972 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 118 8.724 1.584 -6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.317 2.183 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.649 3.319 -8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.191 1.434 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.854 0.310 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.557 1.044 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.979 2.054 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 118 10.937 -0.861 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.633 1.936 -9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.218 1.158 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.980 -1.852 -10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.413 -0.968 -10.312 1.00 0.00 H new ATOM 1817 N ASN A 119 10.735 4.201 -6.313 1.00 0.00 N ATOM 1818 CA ASN A 119 11.970 4.695 -5.716 1.00 0.00 C ATOM 1819 C ASN A 119 11.920 4.573 -4.197 1.00 0.00 C ATOM 1820 O ASN A 119 12.925 4.270 -3.555 1.00 0.00 O ATOM 1821 CB ASN A 119 12.190 6.158 -6.106 1.00 0.00 C ATOM 1822 CG ASN A 119 12.402 6.268 -7.612 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.692 5.272 -8.274 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.275 7.428 -8.195 1.00 0.00 N ATOM 0 H ASN A 119 10.194 4.905 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 119 12.797 4.091 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.330 6.756 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.056 6.558 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.416 7.511 -9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.035 8.252 -7.644 1.00 0.00 H new ATOM 1831 N ASP A 120 10.742 4.814 -3.630 1.00 0.00 N ATOM 1832 CA ASP A 120 10.570 4.731 -2.184 1.00 0.00 C ATOM 1833 C ASP A 120 10.912 3.334 -1.680 1.00 0.00 C ATOM 1834 O ASP A 120 11.518 3.178 -0.620 1.00 0.00 O ATOM 1835 CB ASP A 120 9.126 5.072 -1.811 1.00 0.00 C ATOM 1836 CG ASP A 120 8.844 6.539 -2.114 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.790 7.263 -2.375 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.684 6.918 -2.081 1.00 0.00 O ATOM 0 H ASP A 120 9.899 5.066 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 120 11.246 5.447 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.438 4.438 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.958 4.871 -0.753 1.00 0.00 H new ATOM 1843 N VAL A 121 10.521 2.321 -2.445 1.00 0.00 N ATOM 1844 CA VAL A 121 10.797 0.941 -2.063 1.00 0.00 C ATOM 1845 C VAL A 121 12.301 0.699 -1.999 1.00 0.00 C ATOM 1846 O VAL A 121 12.800 0.055 -1.076 1.00 0.00 O ATOM 1847 CB VAL A 121 10.162 -0.016 -3.072 1.00 0.00 C ATOM 1848 CG1 VAL A 121 10.617 -1.445 -2.774 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.638 0.065 -2.961 1.00 0.00 C ATOM 0 H VAL A 121 10.017 2.427 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 121 10.369 0.760 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 121 10.470 0.262 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.165 -2.128 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.703 -1.505 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.308 -1.722 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.184 -0.617 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.331 -0.214 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.312 1.084 -3.171 1.00 0.00 H new ATOM 1859 N LEU A 122 13.018 1.226 -2.987 1.00 0.00 N ATOM 1860 CA LEU A 122 14.467 1.071 -3.037 1.00 0.00 C ATOM 1861 C LEU A 122 15.146 2.087 -2.127 1.00 0.00 C ATOM 1862 O LEU A 122 16.345 1.995 -1.862 1.00 0.00 O ATOM 1863 CB LEU A 122 14.960 1.259 -4.473 1.00 0.00 C ATOM 1864 CG LEU A 122 14.262 0.253 -5.390 1.00 0.00 C ATOM 1865 CD1 LEU A 122 14.781 0.420 -6.819 1.00 0.00 C ATOM 1866 CD2 LEU A 122 14.559 -1.169 -4.906 1.00 0.00 C ATOM 0 H LEU A 122 12.622 1.761 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 122 14.720 0.068 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.755 2.276 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.040 1.120 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 122 13.186 0.429 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.284 -0.297 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.573 1.432 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.856 0.244 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.062 -1.887 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.635 -1.343 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.192 -1.291 -3.887 1.00 0.00 H new ATOM 1878 N ASN A 123 14.372 3.059 -1.657 1.00 0.00 N ATOM 1879 CA ASN A 123 14.907 4.097 -0.781 1.00 0.00 C ATOM 1880 C ASN A 123 16.033 4.850 -1.480 1.00 0.00 C ATOM 1881 O ASN A 123 17.048 5.181 -0.865 1.00 0.00 O ATOM 1882 CB ASN A 123 15.429 3.476 0.517 1.00 0.00 C ATOM 1883 CG ASN A 123 14.302 2.743 1.236 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.158 3.197 1.224 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.559 1.630 1.867 1.00 0.00 N ATOM 0 H ASN A 123 13.378 3.151 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 123 14.106 4.797 -0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.242 2.784 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.838 4.253 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.811 1.134 2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.508 1.256 1.875 1.00 0.00 H new ATOM 1892 N ARG A 124 15.845 5.120 -2.768 1.00 0.00 N ATOM 1893 CA ARG A 124 16.849 5.837 -3.546 1.00 0.00 C ATOM 1894 C ARG A 124 16.190 6.614 -4.681 1.00 0.00 C ATOM 1895 O ARG A 124 16.532 7.772 -4.857 1.00 0.00 O ATOM 1896 CB ARG A 124 17.870 4.854 -4.126 1.00 0.00 C ATOM 1897 CG ARG A 124 18.654 4.194 -2.989 1.00 0.00 C ATOM 1898 CD ARG A 124 19.789 3.351 -3.574 1.00 0.00 C ATOM 1899 NE ARG A 124 20.434 2.573 -2.522 1.00 0.00 N ATOM 1900 CZ ARG A 124 21.707 2.207 -2.619 1.00 0.00 C ATOM 1901 NH1 ARG A 124 22.403 2.541 -3.671 1.00 0.00 N ATOM 1902 NH2 ARG A 124 22.262 1.513 -1.662 1.00 0.00 N ATOM 1903 OXT ARG A 124 15.351 6.040 -5.357 1.00 0.00 O ATOM 0 H ARG A 124 15.011 4.855 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 124 17.358 6.538 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 124 17.361 4.094 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.553 5.377 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 124 19.059 4.955 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.991 3.567 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.397 2.683 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 124 20.520 3.998 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 124 19.898 2.305 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 124 21.969 3.083 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 124 23.381 2.260 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 124 21.718 1.252 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 124 23.240 1.232 -1.737 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.504 -2.091 1.981 1.00 0.00 FE HETATM 1919 CHA HEB A 125 3.959 -2.136 5.323 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.412 0.549 1.675 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.047 -2.059 -1.365 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.554 -4.770 2.280 1.00 0.00 C HETATM 1923 NA HEB A 125 3.428 -1.026 3.224 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.311 -1.174 4.591 1.00 0.00 C HETATM 1925 C2A HEB A 125 2.417 -0.193 5.157 1.00 0.00 C HETATM 1926 C3A HEB A 125 1.984 0.571 4.126 1.00 0.00 C HETATM 1927 C4A HEB A 125 2.610 0.045 2.936 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.056 1.739 4.206 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.026 -0.061 6.593 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.052 0.732 7.406 1.00 0.00 C HETATM 1931 CGA HEB A 125 2.597 0.837 8.858 1.00 0.00 C HETATM 1932 O1A HEB A 125 3.453 0.847 9.727 1.00 0.00 O HETATM 1933 O2A HEB A 125 1.399 0.905 9.080 1.00 0.00 O HETATM 1934 NB HEB A 125 3.869 -0.993 0.485 1.00 0.00 N HETATM 1935 C1B HEB A 125 2.994 0.070 0.531 1.00 0.00 C HETATM 1936 C2B HEB A 125 2.760 0.626 -0.774 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.498 -0.094 -1.647 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.190 -1.104 -0.858 1.00 0.00 C HETATM 1939 CMB HEB A 125 1.873 1.777 -1.100 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.541 0.120 -3.131 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.146 0.063 -3.755 1.00 0.00 C HETATM 1942 NC HEB A 125 5.565 -3.170 0.739 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.687 -3.020 -0.626 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.569 -4.011 -1.189 1.00 0.00 C HETATM 1945 C3C HEB A 125 6.992 -4.778 -0.162 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.369 -4.253 1.026 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.944 -4.156 -2.624 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.854 -5.856 -0.233 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.427 -7.076 -0.715 1.00 0.00 C HETATM 1950 ND HEB A 125 5.124 -3.203 3.472 1.00 0.00 N HETATM 1951 C1D HEB A 125 5.975 -4.289 3.429 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.182 -4.851 4.743 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.460 -4.095 5.602 1.00 0.00 C HETATM 1954 C4D HEB A 125 4.806 -3.084 4.809 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.005 -6.048 5.090 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.370 -4.263 7.082 1.00 0.00 C HETATM 1957 CBD HEB A 125 4.109 -5.015 7.509 1.00 0.00 C HETATM 1958 CGD HEB A 125 3.655 -4.534 8.884 1.00 0.00 C HETATM 1959 O1D HEB A 125 4.509 -4.340 9.733 1.00 0.00 O HETATM 1960 O2D HEB A 125 2.460 -4.369 9.066 1.00 0.00 O HETATM 0 HMD3 HEB A 125 6.615 -6.922 4.568 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.039 -5.878 4.790 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 6.963 -6.219 6.166 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.048 -4.333 -3.218 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.432 -3.244 -2.966 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.627 -4.998 -2.738 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 0.851 1.546 -0.798 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.217 2.664 -0.567 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 1.901 1.965 -2.173 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.102 1.417 4.623 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 1.491 2.506 4.846 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 0.897 2.147 3.208 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 3.316 -4.856 6.779 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 4.306 -6.087 7.536 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.120 -7.916 -0.764 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.396 -7.200 -1.047 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.701 -0.914 -3.564 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.519 0.839 -3.316 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.222 0.223 -4.831 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.025 0.243 7.355 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 3.173 1.728 6.981 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 6.248 -4.801 7.438 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 5.383 -3.282 7.557 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.056 0.431 6.659 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 1.910 -1.054 7.028 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.214 -5.633 2.374 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.230 -2.049 -2.439 1.00 0.00 H new HETATM 0 HHB HEB A 125 1.737 1.399 1.576 1.00 0.00 H new HETATM 0 HHA HEB A 125 3.787 -2.148 6.399 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.886 -5.741 0.097 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.175 -0.639 -3.589 1.00 0.00 H new