USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.34) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 0.00399 USER MOD Single : A 5 SER OG : rot 41:sc= 0.958 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -28:sc= 0.578 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -2.13! C(o=-2.1!,f=-9.1!) USER MOD Single : A 37 GLN : amide:sc= -1.01 K(o=-1,f=-3.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.843 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.0854 F(o=-0.99,f=-0.085) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 27:sc= 0.319 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.56! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 63:sc= 0.0834 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -180:sc= -0.878 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -46:sc= -1.27! USER MOD Single : A 100 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.778 K(o=-0.78,f=-3.5!) USER MOD Single : A 108 SER OG : rot -44:sc= -1.01 USER MOD Single : A 109 CYS SG : rot -33:sc= -6.81! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 37:sc= 0.719 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.288 -14.830 0.242 1.00 0.00 N ATOM 2 CA GLY A 1 -9.505 -14.344 -0.385 1.00 0.00 C ATOM 3 C GLY A 1 -9.632 -12.827 -0.233 1.00 0.00 C ATOM 4 O GLY A 1 -8.749 -12.081 -0.655 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.225 -15.862 0.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.464 -14.380 -0.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.303 -14.597 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.504 -14.608 -1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.370 -14.832 0.065 1.00 0.00 H new ATOM 8 N SER A 2 -10.737 -12.415 0.370 1.00 0.00 N ATOM 9 CA SER A 2 -10.991 -11.001 0.583 1.00 0.00 C ATOM 10 C SER A 2 -11.239 -10.306 -0.757 1.00 0.00 C ATOM 11 O SER A 2 -12.350 -9.856 -1.031 1.00 0.00 O ATOM 12 CB SER A 2 -9.825 -10.336 1.318 1.00 0.00 C ATOM 13 OG SER A 2 -9.516 -11.001 2.540 1.00 0.00 O ATOM 0 H SER A 2 -11.467 -13.036 0.718 1.00 0.00 H new ATOM 0 HA SER A 2 -11.880 -10.904 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.945 -10.333 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.073 -9.295 1.524 1.00 0.00 H new ATOM 0 HG SER A 2 -8.766 -10.548 2.978 1.00 0.00 H new ATOM 19 N SER A 3 -10.185 -10.240 -1.557 1.00 0.00 N ATOM 20 CA SER A 3 -10.274 -9.608 -2.862 1.00 0.00 C ATOM 21 C SER A 3 -9.389 -10.351 -3.865 1.00 0.00 C ATOM 22 O SER A 3 -8.474 -11.074 -3.474 1.00 0.00 O ATOM 23 CB SER A 3 -9.871 -8.134 -2.789 1.00 0.00 C ATOM 24 OG SER A 3 -10.979 -7.293 -2.478 1.00 0.00 O ATOM 0 H SER A 3 -9.265 -10.614 -1.326 1.00 0.00 H new ATOM 0 HA SER A 3 -11.311 -9.657 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.096 -8.007 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.440 -7.828 -3.742 1.00 0.00 H new ATOM 0 HG SER A 3 -11.660 -7.812 -2.002 1.00 0.00 H new ATOM 30 N GLY A 4 -9.692 -10.146 -5.139 1.00 0.00 N ATOM 31 CA GLY A 4 -8.935 -10.787 -6.201 1.00 0.00 C ATOM 32 C GLY A 4 -9.519 -10.445 -7.573 1.00 0.00 C ATOM 33 O GLY A 4 -9.901 -11.338 -8.329 1.00 0.00 O ATOM 0 H GLY A 4 -10.451 -9.545 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.894 -10.467 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.943 -11.867 -6.057 1.00 0.00 H new ATOM 37 N SER A 5 -9.569 -9.151 -7.854 1.00 0.00 N ATOM 38 CA SER A 5 -10.099 -8.681 -9.122 1.00 0.00 C ATOM 39 C SER A 5 -9.532 -7.297 -9.445 1.00 0.00 C ATOM 40 O SER A 5 -10.073 -6.283 -9.007 1.00 0.00 O ATOM 41 CB SER A 5 -11.628 -8.635 -9.097 1.00 0.00 C ATOM 42 OG SER A 5 -12.119 -7.722 -8.119 1.00 0.00 O ATOM 0 H SER A 5 -9.251 -8.414 -7.225 1.00 0.00 H new ATOM 0 HA SER A 5 -9.796 -9.382 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.998 -8.346 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.017 -9.632 -8.890 1.00 0.00 H new ATOM 0 HG SER A 5 -11.568 -6.912 -8.122 1.00 0.00 H new ATOM 48 N SER A 6 -8.450 -7.300 -10.209 1.00 0.00 N ATOM 49 CA SER A 6 -7.804 -6.057 -10.596 1.00 0.00 C ATOM 50 C SER A 6 -6.688 -6.339 -11.605 1.00 0.00 C ATOM 51 O SER A 6 -6.167 -7.452 -11.664 1.00 0.00 O ATOM 52 CB SER A 6 -7.243 -5.325 -9.376 1.00 0.00 C ATOM 53 OG SER A 6 -6.780 -4.017 -9.703 1.00 0.00 O ATOM 0 H SER A 6 -8.004 -8.143 -10.571 1.00 0.00 H new ATOM 0 HA SER A 6 -8.551 -5.414 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.014 -5.255 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.423 -5.904 -8.951 1.00 0.00 H new ATOM 0 HG SER A 6 -6.431 -3.582 -8.897 1.00 0.00 H new ATOM 59 N GLY A 7 -6.355 -5.313 -12.373 1.00 0.00 N ATOM 60 CA GLY A 7 -5.311 -5.436 -13.376 1.00 0.00 C ATOM 61 C GLY A 7 -3.924 -5.386 -12.733 1.00 0.00 C ATOM 62 O GLY A 7 -3.197 -4.406 -12.892 1.00 0.00 O ATOM 0 H GLY A 7 -6.790 -4.392 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.431 -6.374 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.407 -4.632 -14.106 1.00 0.00 H new ATOM 66 N ARG A 8 -3.598 -6.454 -12.020 1.00 0.00 N ATOM 67 CA ARG A 8 -2.311 -6.544 -11.352 1.00 0.00 C ATOM 68 C ARG A 8 -2.088 -5.319 -10.463 1.00 0.00 C ATOM 69 O ARG A 8 -1.651 -4.273 -10.940 1.00 0.00 O ATOM 70 CB ARG A 8 -1.170 -6.644 -12.366 1.00 0.00 C ATOM 71 CG ARG A 8 -1.177 -8.004 -13.067 1.00 0.00 C ATOM 72 CD ARG A 8 0.142 -8.745 -12.840 1.00 0.00 C ATOM 73 NE ARG A 8 0.359 -9.735 -13.919 1.00 0.00 N ATOM 74 CZ ARG A 8 0.556 -9.413 -15.205 1.00 0.00 C ATOM 75 NH1 ARG A 8 0.563 -8.127 -15.580 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.744 -10.378 -16.116 1.00 0.00 N ATOM 0 H ARG A 8 -4.203 -7.265 -11.890 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.318 -7.446 -10.740 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.265 -5.849 -13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.216 -6.496 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.005 -8.606 -12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.341 -7.865 -14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.968 -8.034 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.125 -9.247 -11.873 1.00 0.00 H new ATOM 0 HE ARG A 8 0.359 -10.724 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.418 -7.393 -14.887 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.713 -7.882 -16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.737 -11.357 -15.831 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.894 -10.133 -17.095 1.00 0.00 H new ATOM 90 N SER A 9 -2.398 -5.490 -9.186 1.00 0.00 N ATOM 91 CA SER A 9 -2.236 -4.412 -8.226 1.00 0.00 C ATOM 92 C SER A 9 -3.080 -3.206 -8.646 1.00 0.00 C ATOM 93 O SER A 9 -3.436 -3.071 -9.816 1.00 0.00 O ATOM 94 CB SER A 9 -0.766 -4.009 -8.091 1.00 0.00 C ATOM 95 OG SER A 9 0.109 -5.120 -8.264 1.00 0.00 O ATOM 0 H SER A 9 -2.761 -6.359 -8.794 1.00 0.00 H new ATOM 0 HA SER A 9 -2.578 -4.767 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.530 -3.243 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.600 -3.566 -7.109 1.00 0.00 H new ATOM 0 HG SER A 9 1.038 -4.822 -8.172 1.00 0.00 H new ATOM 101 N TYR A 10 -3.376 -2.362 -7.669 1.00 0.00 N ATOM 102 CA TYR A 10 -4.171 -1.172 -7.923 1.00 0.00 C ATOM 103 C TYR A 10 -3.290 0.078 -7.965 1.00 0.00 C ATOM 104 O TYR A 10 -2.135 0.042 -7.542 1.00 0.00 O ATOM 105 CB TYR A 10 -5.143 -1.057 -6.747 1.00 0.00 C ATOM 106 CG TYR A 10 -6.390 -0.223 -7.051 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.244 -0.603 -8.066 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.660 0.910 -6.309 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.417 0.182 -8.351 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.833 1.694 -6.595 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.654 1.292 -7.602 1.00 0.00 C ATOM 112 OH TYR A 10 -9.761 2.033 -7.871 1.00 0.00 O ATOM 0 H TYR A 10 -3.080 -2.478 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.682 -1.249 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.452 -2.058 -6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.620 -0.615 -5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.033 -1.489 -8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.992 1.208 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.094 -0.105 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.056 2.582 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.802 2.795 -7.256 1.00 0.00 H new ATOM 122 N GLU A 11 -3.868 1.153 -8.479 1.00 0.00 N ATOM 123 CA GLU A 11 -3.149 2.412 -8.582 1.00 0.00 C ATOM 124 C GLU A 11 -4.130 3.567 -8.798 1.00 0.00 C ATOM 125 O GLU A 11 -5.002 3.492 -9.662 1.00 0.00 O ATOM 126 CB GLU A 11 -2.109 2.359 -9.702 1.00 0.00 C ATOM 127 CG GLU A 11 -2.759 1.991 -11.037 1.00 0.00 C ATOM 128 CD GLU A 11 -2.133 0.722 -11.620 1.00 0.00 C ATOM 129 OE1 GLU A 11 -0.929 0.783 -11.951 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.872 -0.281 -11.721 1.00 0.00 O ATOM 0 H GLU A 11 -4.826 1.179 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.618 2.583 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.614 3.326 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.340 1.628 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.829 1.841 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.643 2.815 -11.741 1.00 0.00 H new ATOM 137 N GLY A 12 -3.954 4.608 -7.997 1.00 0.00 N ATOM 138 CA GLY A 12 -4.813 5.776 -8.090 1.00 0.00 C ATOM 139 C GLY A 12 -4.214 6.959 -7.326 1.00 0.00 C ATOM 140 O GLY A 12 -3.089 6.879 -6.834 1.00 0.00 O ATOM 0 H GLY A 12 -3.230 4.667 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.952 6.047 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.798 5.540 -7.688 1.00 0.00 H new ATOM 144 N ILE A 13 -4.992 8.028 -7.249 1.00 0.00 N ATOM 145 CA ILE A 13 -4.553 9.225 -6.553 1.00 0.00 C ATOM 146 C ILE A 13 -4.755 9.037 -5.048 1.00 0.00 C ATOM 147 O ILE A 13 -5.753 8.461 -4.618 1.00 0.00 O ATOM 148 CB ILE A 13 -5.255 10.462 -7.117 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.698 10.827 -8.495 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.174 11.634 -6.137 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.425 11.666 -8.366 1.00 0.00 C ATOM 0 H ILE A 13 -5.925 8.090 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.488 9.390 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.311 10.226 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.484 9.918 -9.057 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.448 11.381 -9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.681 12.500 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.655 11.357 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.129 11.881 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.049 11.912 -9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.648 12.585 -7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.669 11.099 -7.822 1.00 0.00 H new ATOM 163 N LEU A 14 -3.790 9.534 -4.287 1.00 0.00 N ATOM 164 CA LEU A 14 -3.849 9.429 -2.839 1.00 0.00 C ATOM 165 C LEU A 14 -3.087 10.599 -2.215 1.00 0.00 C ATOM 166 O LEU A 14 -1.887 10.753 -2.440 1.00 0.00 O ATOM 167 CB LEU A 14 -3.351 8.056 -2.381 1.00 0.00 C ATOM 168 CG LEU A 14 -4.408 6.952 -2.300 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.777 5.619 -1.893 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.551 7.355 -1.366 1.00 0.00 C ATOM 0 H LEU A 14 -2.963 10.010 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.880 9.500 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.566 7.730 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.894 8.167 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.837 6.815 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.549 4.851 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.027 5.332 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.305 5.723 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.288 6.553 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.157 7.536 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.023 8.264 -1.740 1.00 0.00 H new ATOM 182 N TYR A 15 -3.814 11.394 -1.444 1.00 0.00 N ATOM 183 CA TYR A 15 -3.221 12.545 -0.786 1.00 0.00 C ATOM 184 C TYR A 15 -2.518 12.135 0.510 1.00 0.00 C ATOM 185 O TYR A 15 -2.691 11.014 0.986 1.00 0.00 O ATOM 186 CB TYR A 15 -4.383 13.482 -0.446 1.00 0.00 C ATOM 187 CG TYR A 15 -4.982 14.195 -1.660 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.532 13.459 -2.690 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.972 15.573 -1.725 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.096 14.130 -3.833 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.536 16.244 -2.868 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.070 15.489 -3.865 1.00 0.00 C ATOM 193 OH TYR A 15 -6.603 16.123 -4.944 1.00 0.00 O ATOM 0 H TYR A 15 -4.809 11.263 -1.260 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.479 13.015 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.167 12.908 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.037 14.230 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.539 12.380 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.541 16.149 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.530 13.567 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.535 17.322 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.516 17.092 -4.830 1.00 0.00 H new ATOM 203 N LYS A 16 -1.739 13.065 1.043 1.00 0.00 N ATOM 204 CA LYS A 16 -1.009 12.813 2.274 1.00 0.00 C ATOM 205 C LYS A 16 -0.913 14.111 3.079 1.00 0.00 C ATOM 206 O LYS A 16 -0.505 15.145 2.551 1.00 0.00 O ATOM 207 CB LYS A 16 0.349 12.176 1.971 1.00 0.00 C ATOM 208 CG LYS A 16 1.199 12.067 3.239 1.00 0.00 C ATOM 209 CD LYS A 16 1.958 10.740 3.277 1.00 0.00 C ATOM 210 CE LYS A 16 3.340 10.917 3.911 1.00 0.00 C ATOM 211 NZ LYS A 16 4.312 9.979 3.305 1.00 0.00 N ATOM 0 H LYS A 16 -1.597 13.994 0.645 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.543 12.092 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.202 11.185 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.876 12.772 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.906 12.896 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.560 12.150 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.385 10.005 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.065 10.349 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.681 11.943 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.279 10.743 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.244 10.112 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.993 9.001 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.383 10.164 2.284 1.00 0.00 H new ATOM 225 N LYS A 17 -1.295 14.015 4.343 1.00 0.00 N ATOM 226 CA LYS A 17 -1.257 15.169 5.226 1.00 0.00 C ATOM 227 C LYS A 17 0.179 15.685 5.322 1.00 0.00 C ATOM 228 O LYS A 17 1.119 14.995 4.930 1.00 0.00 O ATOM 229 CB LYS A 17 -1.879 14.826 6.582 1.00 0.00 C ATOM 230 CG LYS A 17 -2.505 16.065 7.226 1.00 0.00 C ATOM 231 CD LYS A 17 -3.751 15.694 8.033 1.00 0.00 C ATOM 232 CE LYS A 17 -3.396 15.420 9.496 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.517 14.740 10.183 1.00 0.00 N ATOM 0 H LYS A 17 -1.633 13.156 4.778 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.861 15.980 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.639 14.055 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.116 14.414 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.776 16.548 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.770 16.787 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.479 16.503 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.221 14.812 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.500 14.801 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.166 16.358 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.149 14.182 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.188 15.450 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.003 14.109 9.514 1.00 0.00 H new ATOM 247 N GLY A 18 0.305 16.896 5.845 1.00 0.00 N ATOM 248 CA GLY A 18 1.612 17.514 5.997 1.00 0.00 C ATOM 249 C GLY A 18 1.735 18.760 5.117 1.00 0.00 C ATOM 250 O GLY A 18 0.756 19.474 4.906 1.00 0.00 O ATOM 0 H GLY A 18 -0.476 17.466 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.771 17.784 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.390 16.798 5.731 1.00 0.00 H new ATOM 254 N ALA A 19 2.946 18.982 4.628 1.00 0.00 N ATOM 255 CA ALA A 19 3.210 20.130 3.776 1.00 0.00 C ATOM 256 C ALA A 19 2.962 21.415 4.569 1.00 0.00 C ATOM 257 O ALA A 19 2.562 21.365 5.731 1.00 0.00 O ATOM 258 CB ALA A 19 2.342 20.043 2.520 1.00 0.00 C ATOM 0 H ALA A 19 3.755 18.387 4.805 1.00 0.00 H new ATOM 0 HA ALA A 19 4.251 20.138 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.540 20.904 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.577 19.127 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.290 20.036 2.805 1.00 0.00 H new ATOM 264 N PHE A 20 3.210 22.537 3.908 1.00 0.00 N ATOM 265 CA PHE A 20 3.019 23.833 4.536 1.00 0.00 C ATOM 266 C PHE A 20 1.533 24.185 4.625 1.00 0.00 C ATOM 267 O PHE A 20 0.675 23.330 4.414 1.00 0.00 O ATOM 268 CB PHE A 20 3.724 24.865 3.654 1.00 0.00 C ATOM 269 CG PHE A 20 5.090 25.308 4.184 1.00 0.00 C ATOM 270 CD1 PHE A 20 6.159 24.473 4.087 1.00 0.00 C ATOM 271 CD2 PHE A 20 5.234 26.535 4.752 1.00 0.00 C ATOM 272 CE1 PHE A 20 7.427 24.884 4.578 1.00 0.00 C ATOM 273 CE2 PHE A 20 6.501 26.945 5.243 1.00 0.00 C ATOM 274 CZ PHE A 20 7.571 26.111 5.146 1.00 0.00 C ATOM 0 H PHE A 20 3.541 22.575 2.944 1.00 0.00 H new ATOM 0 HA PHE A 20 3.423 23.820 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.851 24.448 2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.083 25.741 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.044 23.498 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.385 27.197 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.277 24.222 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.616 27.920 5.694 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.535 26.423 5.520 1.00 0.00 H new ATOM 284 N MET A 21 1.274 25.447 4.937 1.00 0.00 N ATOM 285 CA MET A 21 -0.093 25.923 5.056 1.00 0.00 C ATOM 286 C MET A 21 -0.999 25.256 4.019 1.00 0.00 C ATOM 287 O MET A 21 -2.150 24.936 4.309 1.00 0.00 O ATOM 288 CB MET A 21 -0.124 27.440 4.862 1.00 0.00 C ATOM 289 CG MET A 21 -0.115 28.166 6.208 1.00 0.00 C ATOM 290 SD MET A 21 -0.958 29.733 6.063 1.00 0.00 S ATOM 291 CE MET A 21 -2.505 29.327 6.855 1.00 0.00 C ATOM 0 H MET A 21 1.988 26.154 5.111 1.00 0.00 H new ATOM 0 HA MET A 21 -0.461 25.667 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.737 27.752 4.271 1.00 0.00 H new ATOM 0 HB3 MET A 21 -1.015 27.720 4.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.601 27.551 6.965 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.912 28.325 6.538 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.156 30.201 6.851 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.988 28.513 6.315 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.317 29.019 7.884 1.00 0.00 H new ATOM 301 N LYS A 22 -0.443 25.066 2.831 1.00 0.00 N ATOM 302 CA LYS A 22 -1.186 24.443 1.749 1.00 0.00 C ATOM 303 C LYS A 22 -1.876 23.180 2.270 1.00 0.00 C ATOM 304 O LYS A 22 -1.498 22.648 3.313 1.00 0.00 O ATOM 305 CB LYS A 22 -0.274 24.193 0.547 1.00 0.00 C ATOM 306 CG LYS A 22 0.534 22.906 0.729 1.00 0.00 C ATOM 307 CD LYS A 22 1.916 23.030 0.084 1.00 0.00 C ATOM 308 CE LYS A 22 1.811 23.023 -1.442 1.00 0.00 C ATOM 309 NZ LYS A 22 2.316 24.296 -2.003 1.00 0.00 N ATOM 0 H LYS A 22 0.513 25.332 2.594 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.970 25.111 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.874 24.125 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.404 25.037 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.643 22.688 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.004 22.069 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.394 23.952 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.550 22.206 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.382 22.188 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.773 22.874 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.237 24.274 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.754 25.087 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.313 24.423 -1.734 1.00 0.00 H new ATOM 323 N PRO A 23 -2.901 22.726 1.501 1.00 0.00 N ATOM 324 CA PRO A 23 -3.646 21.535 1.874 1.00 0.00 C ATOM 325 C PRO A 23 -2.832 20.270 1.598 1.00 0.00 C ATOM 326 O PRO A 23 -1.767 20.333 0.986 1.00 0.00 O ATOM 327 CB PRO A 23 -4.930 21.605 1.063 1.00 0.00 C ATOM 328 CG PRO A 23 -4.654 22.577 -0.072 1.00 0.00 C ATOM 329 CD PRO A 23 -3.376 23.330 0.260 1.00 0.00 C ATOM 0 HA PRO A 23 -3.866 21.493 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.203 20.622 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.762 21.949 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.548 22.042 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.486 23.271 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.639 23.229 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.566 24.396 0.386 1.00 0.00 H new ATOM 337 N TRP A 24 -3.365 19.149 2.063 1.00 0.00 N ATOM 338 CA TRP A 24 -2.701 17.870 1.874 1.00 0.00 C ATOM 339 C TRP A 24 -2.186 17.813 0.434 1.00 0.00 C ATOM 340 O TRP A 24 -2.838 18.311 -0.482 1.00 0.00 O ATOM 341 CB TRP A 24 -3.637 16.710 2.220 1.00 0.00 C ATOM 342 CG TRP A 24 -4.240 16.795 3.624 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.120 17.788 4.515 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.067 15.802 4.265 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.806 17.509 5.679 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.401 16.263 5.522 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.519 14.555 3.798 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.200 15.541 6.416 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.317 13.845 4.704 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.662 14.296 5.973 1.00 0.00 C ATOM 0 H TRP A 24 -4.249 19.100 2.570 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.853 17.772 2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.446 16.679 1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.088 15.773 2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.557 18.693 4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.866 18.107 6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.270 14.175 2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.447 15.924 7.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.690 12.880 4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.284 13.689 6.614 1.00 0.00 H new ATOM 361 N LYS A 25 -1.020 17.203 0.280 1.00 0.00 N ATOM 362 CA LYS A 25 -0.410 17.074 -1.032 1.00 0.00 C ATOM 363 C LYS A 25 -1.051 15.901 -1.775 1.00 0.00 C ATOM 364 O LYS A 25 -1.339 14.865 -1.178 1.00 0.00 O ATOM 365 CB LYS A 25 1.111 16.966 -0.907 1.00 0.00 C ATOM 366 CG LYS A 25 1.755 18.351 -0.819 1.00 0.00 C ATOM 367 CD LYS A 25 3.274 18.242 -0.675 1.00 0.00 C ATOM 368 CE LYS A 25 3.942 19.604 -0.869 1.00 0.00 C ATOM 369 NZ LYS A 25 4.521 19.709 -2.227 1.00 0.00 N ATOM 0 H LYS A 25 -0.481 16.792 1.043 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.595 17.968 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.366 16.386 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.513 16.428 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.511 18.927 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.344 18.894 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.522 17.848 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.663 17.535 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.212 20.399 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.724 19.742 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.971 20.640 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.233 18.962 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.767 19.599 -2.935 1.00 0.00 H new ATOM 383 N ALA A 26 -1.257 16.103 -3.069 1.00 0.00 N ATOM 384 CA ALA A 26 -1.859 15.075 -3.900 1.00 0.00 C ATOM 385 C ALA A 26 -0.777 14.427 -4.766 1.00 0.00 C ATOM 386 O ALA A 26 -0.242 15.061 -5.675 1.00 0.00 O ATOM 387 CB ALA A 26 -2.985 15.687 -4.735 1.00 0.00 C ATOM 0 H ALA A 26 -1.017 16.964 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.300 14.292 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.436 14.915 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.742 16.107 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.580 16.475 -5.370 1.00 0.00 H new ATOM 393 N ARG A 27 -0.487 13.172 -4.455 1.00 0.00 N ATOM 394 CA ARG A 27 0.521 12.432 -5.193 1.00 0.00 C ATOM 395 C ARG A 27 -0.063 11.119 -5.719 1.00 0.00 C ATOM 396 O ARG A 27 -1.113 10.674 -5.259 1.00 0.00 O ATOM 397 CB ARG A 27 1.735 12.125 -4.313 1.00 0.00 C ATOM 398 CG ARG A 27 3.034 12.537 -5.009 1.00 0.00 C ATOM 399 CD ARG A 27 3.812 13.547 -4.163 1.00 0.00 C ATOM 400 NE ARG A 27 3.828 14.865 -4.836 1.00 0.00 N ATOM 401 CZ ARG A 27 2.828 15.754 -4.771 1.00 0.00 C ATOM 402 NH1 ARG A 27 1.726 15.472 -4.063 1.00 0.00 N ATOM 403 NH2 ARG A 27 2.930 16.925 -5.414 1.00 0.00 N ATOM 0 H ARG A 27 -0.933 12.649 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 27 0.841 13.053 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.643 12.653 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.763 11.060 -4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.650 11.656 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.807 12.971 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.354 13.638 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.832 13.196 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 27 4.652 15.112 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.649 14.580 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.965 16.149 -4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.769 17.139 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.169 17.602 -5.365 1.00 0.00 H new ATOM 417 N TRP A 28 0.643 10.535 -6.676 1.00 0.00 N ATOM 418 CA TRP A 28 0.208 9.283 -7.270 1.00 0.00 C ATOM 419 C TRP A 28 0.794 8.138 -6.441 1.00 0.00 C ATOM 420 O TRP A 28 2.012 8.012 -6.324 1.00 0.00 O ATOM 421 CB TRP A 28 0.598 9.211 -8.748 1.00 0.00 C ATOM 422 CG TRP A 28 0.158 7.922 -9.445 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.901 6.844 -9.729 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.164 7.619 -9.939 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.158 5.871 -10.367 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.138 6.358 -10.498 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.342 8.385 -9.913 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.261 5.752 -11.074 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.456 7.765 -10.492 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.446 6.496 -11.060 1.00 0.00 C ATOM 0 H TRP A 28 1.514 10.906 -7.055 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.879 9.206 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.161 10.062 -9.270 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.680 9.307 -8.833 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.950 6.748 -9.489 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.497 4.963 -10.684 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.385 9.374 -9.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.215 4.763 -11.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.388 8.311 -10.498 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.349 6.086 -11.488 1.00 0.00 H new ATOM 441 N PHE A 29 -0.100 7.333 -5.886 1.00 0.00 N ATOM 442 CA PHE A 29 0.313 6.203 -5.072 1.00 0.00 C ATOM 443 C PHE A 29 0.194 4.892 -5.852 1.00 0.00 C ATOM 444 O PHE A 29 -0.361 4.867 -6.949 1.00 0.00 O ATOM 445 CB PHE A 29 -0.628 6.153 -3.866 1.00 0.00 C ATOM 446 CG PHE A 29 -0.244 7.111 -2.737 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.332 8.308 -3.027 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.479 6.765 -1.443 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.688 9.198 -1.979 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.122 7.655 -0.394 1.00 0.00 C ATOM 451 CZ PHE A 29 0.453 8.852 -0.685 1.00 0.00 C ATOM 0 H PHE A 29 -1.109 7.441 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 29 1.354 6.322 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.640 6.386 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.647 5.136 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.519 8.582 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.937 5.814 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.145 10.149 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.307 7.380 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.723 9.529 0.112 1.00 0.00 H new ATOM 461 N VAL A 30 0.724 3.835 -5.254 1.00 0.00 N ATOM 462 CA VAL A 30 0.685 2.524 -5.879 1.00 0.00 C ATOM 463 C VAL A 30 0.358 1.469 -4.820 1.00 0.00 C ATOM 464 O VAL A 30 1.024 1.393 -3.789 1.00 0.00 O ATOM 465 CB VAL A 30 2.002 2.252 -6.609 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.169 0.759 -6.899 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.097 3.075 -7.895 1.00 0.00 C ATOM 0 H VAL A 30 1.183 3.860 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.102 2.483 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 30 2.818 2.560 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.113 0.593 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.168 0.204 -5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.345 0.416 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.043 2.863 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.271 2.813 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.045 4.136 -7.652 1.00 0.00 H new ATOM 477 N LEU A 31 -0.666 0.681 -5.112 1.00 0.00 N ATOM 478 CA LEU A 31 -1.089 -0.366 -4.198 1.00 0.00 C ATOM 479 C LEU A 31 -0.607 -1.720 -4.722 1.00 0.00 C ATOM 480 O LEU A 31 -1.354 -2.433 -5.389 1.00 0.00 O ATOM 481 CB LEU A 31 -2.600 -0.299 -3.967 1.00 0.00 C ATOM 482 CG LEU A 31 -3.080 -0.643 -2.556 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.508 -2.109 -2.465 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.016 -0.291 -1.514 1.00 0.00 C ATOM 0 H LEU A 31 -1.215 0.747 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.634 -0.222 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.940 0.708 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.085 -0.977 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.959 -0.037 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.845 -2.327 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.322 -2.295 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.663 -2.751 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.382 -0.545 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.105 -0.853 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.801 0.777 -1.559 1.00 0.00 H new ATOM 496 N ASP A 32 0.640 -2.033 -4.400 1.00 0.00 N ATOM 497 CA ASP A 32 1.231 -3.289 -4.830 1.00 0.00 C ATOM 498 C ASP A 32 0.690 -4.426 -3.962 1.00 0.00 C ATOM 499 O ASP A 32 0.494 -4.255 -2.759 1.00 0.00 O ATOM 500 CB ASP A 32 2.753 -3.261 -4.679 1.00 0.00 C ATOM 501 CG ASP A 32 3.500 -4.342 -5.463 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.050 -5.506 -5.395 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.505 -3.980 -6.113 1.00 0.00 O ATOM 0 H ASP A 32 1.257 -1.439 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 32 0.975 -3.441 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.117 -2.285 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.000 -3.363 -3.622 1.00 0.00 H new ATOM 508 N LYS A 33 0.464 -5.563 -4.604 1.00 0.00 N ATOM 509 CA LYS A 33 -0.051 -6.728 -3.905 1.00 0.00 C ATOM 510 C LYS A 33 1.022 -7.818 -3.882 1.00 0.00 C ATOM 511 O LYS A 33 1.028 -8.670 -2.994 1.00 0.00 O ATOM 512 CB LYS A 33 -1.375 -7.182 -4.522 1.00 0.00 C ATOM 513 CG LYS A 33 -1.256 -7.311 -6.042 1.00 0.00 C ATOM 514 CD LYS A 33 -2.322 -8.257 -6.597 1.00 0.00 C ATOM 515 CE LYS A 33 -1.840 -9.709 -6.559 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.103 -10.376 -7.854 1.00 0.00 N ATOM 0 H LYS A 33 0.628 -5.702 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.278 -6.480 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.670 -8.140 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.160 -6.467 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.361 -6.329 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.265 -7.682 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.239 -8.159 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.564 -7.977 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.773 -9.739 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.347 -10.246 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.770 -11.360 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.124 -10.364 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.600 -9.873 -8.612 1.00 0.00 H new ATOM 530 N THR A 34 1.905 -7.757 -4.868 1.00 0.00 N ATOM 531 CA THR A 34 2.980 -8.728 -4.972 1.00 0.00 C ATOM 532 C THR A 34 4.118 -8.369 -4.015 1.00 0.00 C ATOM 533 O THR A 34 4.778 -9.252 -3.470 1.00 0.00 O ATOM 534 CB THR A 34 3.417 -8.796 -6.437 1.00 0.00 C ATOM 535 OG1 THR A 34 4.007 -7.522 -6.682 1.00 0.00 O ATOM 536 CG2 THR A 34 2.229 -8.847 -7.400 1.00 0.00 C ATOM 0 H THR A 34 1.897 -7.049 -5.602 1.00 0.00 H new ATOM 0 HA THR A 34 2.645 -9.721 -4.671 1.00 0.00 H new ATOM 0 HB THR A 34 4.045 -9.674 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.601 -6.854 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.594 -8.894 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.627 -9.730 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.619 -7.953 -7.273 1.00 0.00 H new ATOM 544 N LYS A 35 4.313 -7.070 -3.840 1.00 0.00 N ATOM 545 CA LYS A 35 5.360 -6.582 -2.958 1.00 0.00 C ATOM 546 C LYS A 35 4.747 -6.198 -1.610 1.00 0.00 C ATOM 547 O LYS A 35 5.419 -6.251 -0.581 1.00 0.00 O ATOM 548 CB LYS A 35 6.137 -5.447 -3.626 1.00 0.00 C ATOM 549 CG LYS A 35 7.211 -5.997 -4.567 1.00 0.00 C ATOM 550 CD LYS A 35 8.591 -5.955 -3.909 1.00 0.00 C ATOM 551 CE LYS A 35 9.687 -6.327 -4.909 1.00 0.00 C ATOM 552 NZ LYS A 35 10.994 -5.790 -4.470 1.00 0.00 N ATOM 0 H LYS A 35 3.764 -6.340 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 35 6.091 -7.367 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.450 -4.811 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.602 -4.822 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.967 -7.023 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.226 -5.414 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.779 -4.957 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.616 -6.643 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.747 -7.411 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.438 -5.933 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.726 -6.052 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.938 -4.754 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.237 -6.186 -3.540 1.00 0.00 H new ATOM 566 N HIS A 36 3.478 -5.820 -1.659 1.00 0.00 N ATOM 567 CA HIS A 36 2.767 -5.427 -0.454 1.00 0.00 C ATOM 568 C HIS A 36 3.408 -4.168 0.132 1.00 0.00 C ATOM 569 O HIS A 36 3.695 -4.112 1.327 1.00 0.00 O ATOM 570 CB HIS A 36 2.710 -6.584 0.545 1.00 0.00 C ATOM 571 CG HIS A 36 1.362 -7.260 0.626 1.00 0.00 C ATOM 572 ND1 HIS A 36 0.699 -7.746 -0.487 1.00 0.00 N ATOM 573 CD2 HIS A 36 0.562 -7.527 1.698 1.00 0.00 C ATOM 574 CE1 HIS A 36 -0.448 -8.278 -0.091 1.00 0.00 C ATOM 575 NE2 HIS A 36 -0.531 -8.141 1.263 1.00 0.00 N ATOM 0 H HIS A 36 2.924 -5.778 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 36 1.733 -5.185 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.461 -7.325 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.978 -6.211 1.533 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.036 -7.702 -1.449 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.781 -7.280 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.187 -8.739 -0.729 1.00 0.00 H new ATOM 583 N GLN A 37 3.613 -3.188 -0.736 1.00 0.00 N ATOM 584 CA GLN A 37 4.215 -1.933 -0.319 1.00 0.00 C ATOM 585 C GLN A 37 3.466 -0.753 -0.942 1.00 0.00 C ATOM 586 O GLN A 37 2.799 -0.906 -1.963 1.00 0.00 O ATOM 587 CB GLN A 37 5.701 -1.891 -0.679 1.00 0.00 C ATOM 588 CG GLN A 37 6.437 -3.108 -0.114 1.00 0.00 C ATOM 589 CD GLN A 37 7.829 -3.243 -0.733 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.998 -3.285 -1.941 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.814 -3.310 0.159 1.00 0.00 N ATOM 0 H GLN A 37 3.373 -3.238 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 37 4.136 -1.857 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.816 -1.863 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.148 -0.977 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.524 -3.015 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.859 -4.011 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.603 -3.269 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.780 -3.402 -0.154 1.00 0.00 H new ATOM 600 N LEU A 38 3.603 0.399 -0.300 1.00 0.00 N ATOM 601 CA LEU A 38 2.948 1.604 -0.779 1.00 0.00 C ATOM 602 C LEU A 38 3.985 2.516 -1.437 1.00 0.00 C ATOM 603 O LEU A 38 4.794 3.139 -0.750 1.00 0.00 O ATOM 604 CB LEU A 38 2.169 2.276 0.354 1.00 0.00 C ATOM 605 CG LEU A 38 0.845 2.933 -0.041 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.250 2.619 0.981 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.020 4.439 -0.248 1.00 0.00 C ATOM 0 H LEU A 38 4.158 0.523 0.547 1.00 0.00 H new ATOM 0 HA LEU A 38 2.209 1.359 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.967 1.529 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.807 3.034 0.807 1.00 0.00 H new ATOM 0 HG LEU A 38 0.526 2.512 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.180 3.098 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.398 1.541 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.048 2.995 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.064 4.881 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.374 4.895 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.747 4.615 -1.041 1.00 0.00 H new ATOM 619 N ARG A 39 3.928 2.567 -2.759 1.00 0.00 N ATOM 620 CA ARG A 39 4.853 3.392 -3.517 1.00 0.00 C ATOM 621 C ARG A 39 4.118 4.585 -4.132 1.00 0.00 C ATOM 622 O ARG A 39 3.101 4.414 -4.802 1.00 0.00 O ATOM 623 CB ARG A 39 5.524 2.587 -4.632 1.00 0.00 C ATOM 624 CG ARG A 39 6.457 1.521 -4.052 1.00 0.00 C ATOM 625 CD ARG A 39 6.196 0.157 -4.694 1.00 0.00 C ATOM 626 NE ARG A 39 7.230 -0.128 -5.714 1.00 0.00 N ATOM 627 CZ ARG A 39 7.528 -1.356 -6.159 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.872 -2.421 -5.677 1.00 0.00 N ATOM 629 NH2 ARG A 39 8.481 -1.520 -7.087 1.00 0.00 N ATOM 0 H ARG A 39 3.255 2.050 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 39 5.620 3.747 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.763 2.112 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.089 3.257 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.494 1.812 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.312 1.453 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.202 -0.621 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.207 0.145 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 39 7.748 0.660 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.146 -2.296 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.099 -3.356 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.980 -0.710 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.708 -2.455 -7.426 1.00 0.00 H new ATOM 643 N TYR A 40 4.662 5.767 -3.882 1.00 0.00 N ATOM 644 CA TYR A 40 4.071 6.988 -4.402 1.00 0.00 C ATOM 645 C TYR A 40 5.121 7.851 -5.104 1.00 0.00 C ATOM 646 O TYR A 40 6.181 8.125 -4.542 1.00 0.00 O ATOM 647 CB TYR A 40 3.534 7.748 -3.187 1.00 0.00 C ATOM 648 CG TYR A 40 4.595 8.061 -2.130 1.00 0.00 C ATOM 649 CD1 TYR A 40 4.911 7.121 -1.170 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.237 9.283 -2.138 1.00 0.00 C ATOM 651 CE1 TYR A 40 5.909 7.416 -0.175 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.236 9.577 -1.143 1.00 0.00 C ATOM 653 CZ TYR A 40 6.523 8.629 -0.211 1.00 0.00 C ATOM 654 OH TYR A 40 7.466 8.908 0.728 1.00 0.00 O ATOM 0 H TYR A 40 5.506 5.905 -3.326 1.00 0.00 H new ATOM 0 HA TYR A 40 3.292 6.757 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.086 8.682 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.739 7.161 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.410 6.164 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.990 10.018 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.164 6.690 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.746 10.529 -1.137 1.00 0.00 H new ATOM 0 HH TYR A 40 7.820 9.810 0.578 1.00 0.00 H new ATOM 664 N TYR A 41 4.792 8.254 -6.323 1.00 0.00 N ATOM 665 CA TYR A 41 5.694 9.079 -7.107 1.00 0.00 C ATOM 666 C TYR A 41 5.191 10.522 -7.184 1.00 0.00 C ATOM 667 O TYR A 41 4.016 10.759 -7.463 1.00 0.00 O ATOM 668 CB TYR A 41 5.699 8.478 -8.514 1.00 0.00 C ATOM 669 CG TYR A 41 6.174 7.025 -8.568 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.424 6.031 -7.973 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.353 6.708 -9.213 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.872 4.663 -8.024 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.800 5.340 -9.264 1.00 0.00 C ATOM 674 CZ TYR A 41 7.037 4.385 -8.667 1.00 0.00 C ATOM 675 OH TYR A 41 7.460 3.093 -8.715 1.00 0.00 O ATOM 0 H TYR A 41 3.913 8.024 -6.786 1.00 0.00 H new ATOM 0 HA TYR A 41 6.686 9.098 -6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.692 8.536 -8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.341 9.083 -9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.501 6.279 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.940 7.486 -9.679 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.295 3.876 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.720 5.078 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 41 8.306 3.044 -9.207 1.00 0.00 H new ATOM 685 N ASP A 42 6.104 11.448 -6.931 1.00 0.00 N ATOM 686 CA ASP A 42 5.767 12.861 -6.968 1.00 0.00 C ATOM 687 C ASP A 42 4.965 13.157 -8.236 1.00 0.00 C ATOM 688 O ASP A 42 4.054 13.983 -8.220 1.00 0.00 O ATOM 689 CB ASP A 42 7.028 13.727 -6.993 1.00 0.00 C ATOM 690 CG ASP A 42 8.170 13.181 -7.853 1.00 0.00 C ATOM 691 OD1 ASP A 42 8.071 13.333 -9.090 1.00 0.00 O ATOM 692 OD2 ASP A 42 9.116 12.625 -7.254 1.00 0.00 O ATOM 0 H ASP A 42 7.077 11.247 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 42 5.188 13.093 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.762 14.720 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.388 13.848 -5.971 1.00 0.00 H new ATOM 697 N HIS A 43 5.332 12.466 -9.305 1.00 0.00 N ATOM 698 CA HIS A 43 4.658 12.644 -10.580 1.00 0.00 C ATOM 699 C HIS A 43 4.371 11.277 -11.204 1.00 0.00 C ATOM 700 O HIS A 43 5.212 10.380 -11.158 1.00 0.00 O ATOM 701 CB HIS A 43 5.469 13.558 -11.500 1.00 0.00 C ATOM 702 CG HIS A 43 5.358 15.025 -11.162 1.00 0.00 C ATOM 703 ND1 HIS A 43 4.415 15.707 -10.449 1.00 0.00 N flip ATOM 704 CD2 HIS A 43 6.289 15.963 -11.574 1.00 0.00 C flip ATOM 705 CE1 HIS A 43 4.754 16.990 -10.425 1.00 0.00 C flip ATOM 706 NE2 HIS A 43 5.915 17.151 -11.122 1.00 0.00 N flip ATOM 0 H HIS A 43 6.088 11.781 -9.314 1.00 0.00 H new ATOM 0 HA HIS A 43 3.701 13.141 -10.423 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.518 13.264 -11.455 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.139 13.407 -12.528 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.590 15.300 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.171 15.761 -12.164 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.201 17.777 -9.934 1.00 0.00 H new ATOM 714 N ARG A 44 3.181 11.161 -11.774 1.00 0.00 N ATOM 715 CA ARG A 44 2.773 9.918 -12.408 1.00 0.00 C ATOM 716 C ARG A 44 3.943 9.308 -13.182 1.00 0.00 C ATOM 717 O ARG A 44 4.393 9.870 -14.179 1.00 0.00 O ATOM 718 CB ARG A 44 1.601 10.146 -13.364 1.00 0.00 C ATOM 719 CG ARG A 44 0.271 9.794 -12.696 1.00 0.00 C ATOM 720 CD ARG A 44 -0.594 8.931 -13.617 1.00 0.00 C ATOM 721 NE ARG A 44 -1.462 9.793 -14.450 1.00 0.00 N ATOM 722 CZ ARG A 44 -2.111 9.371 -15.544 1.00 0.00 C ATOM 723 NH1 ARG A 44 -1.995 8.097 -15.943 1.00 0.00 N ATOM 724 NH2 ARG A 44 -2.877 10.224 -16.239 1.00 0.00 N ATOM 0 H ARG A 44 2.486 11.907 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 44 2.457 9.233 -11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.586 11.188 -13.685 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.734 9.539 -14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.458 9.262 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.264 10.708 -12.440 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.041 8.316 -14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.205 8.251 -13.024 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.573 10.769 -14.174 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.413 7.448 -15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.489 7.776 -16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.966 11.194 -15.935 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.371 9.903 -17.072 1.00 0.00 H new ATOM 738 N MET A 45 4.401 8.164 -12.694 1.00 0.00 N ATOM 739 CA MET A 45 5.510 7.471 -13.328 1.00 0.00 C ATOM 740 C MET A 45 6.779 8.326 -13.300 1.00 0.00 C ATOM 741 O MET A 45 7.402 8.554 -14.336 1.00 0.00 O ATOM 742 CB MET A 45 5.147 7.145 -14.778 1.00 0.00 C ATOM 743 CG MET A 45 4.476 5.773 -14.880 1.00 0.00 C ATOM 744 SD MET A 45 4.412 5.250 -16.585 1.00 0.00 S ATOM 745 CE MET A 45 3.504 3.724 -16.407 1.00 0.00 C ATOM 0 H MET A 45 4.024 7.700 -11.867 1.00 0.00 H new ATOM 0 HA MET A 45 5.702 6.551 -12.776 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.478 7.911 -15.170 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.046 7.161 -15.394 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.029 5.044 -14.288 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.468 5.820 -14.467 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.374 3.262 -17.386 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.056 3.046 -15.756 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.527 3.931 -15.970 1.00 0.00 H new ATOM 755 N ASP A 46 7.125 8.776 -12.102 1.00 0.00 N ATOM 756 CA ASP A 46 8.308 9.600 -11.925 1.00 0.00 C ATOM 757 C ASP A 46 9.557 8.748 -12.158 1.00 0.00 C ATOM 758 O ASP A 46 9.480 7.521 -12.184 1.00 0.00 O ATOM 759 CB ASP A 46 8.379 10.164 -10.505 1.00 0.00 C ATOM 760 CG ASP A 46 9.372 11.312 -10.314 1.00 0.00 C ATOM 761 OD1 ASP A 46 9.586 12.047 -11.302 1.00 0.00 O ATOM 762 OD2 ASP A 46 9.894 11.429 -9.184 1.00 0.00 O ATOM 0 H ASP A 46 6.606 8.585 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 46 8.255 10.423 -12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.386 10.511 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.644 9.357 -9.822 1.00 0.00 H new ATOM 767 N THR A 47 10.679 9.433 -12.322 1.00 0.00 N ATOM 768 CA THR A 47 11.943 8.755 -12.552 1.00 0.00 C ATOM 769 C THR A 47 12.021 7.474 -11.719 1.00 0.00 C ATOM 770 O THR A 47 12.261 6.393 -12.255 1.00 0.00 O ATOM 771 CB THR A 47 13.072 9.743 -12.253 1.00 0.00 C ATOM 772 OG1 THR A 47 14.215 8.916 -12.056 1.00 0.00 O ATOM 773 CG2 THR A 47 12.889 10.453 -10.910 1.00 0.00 C ATOM 0 H THR A 47 10.739 10.451 -12.300 1.00 0.00 H new ATOM 0 HA THR A 47 12.037 8.437 -13.590 1.00 0.00 H new ATOM 0 HB THR A 47 13.126 10.484 -13.051 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.994 9.477 -11.858 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.717 11.143 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.951 11.008 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.868 9.715 -10.108 1.00 0.00 H new ATOM 781 N GLU A 48 11.813 7.638 -10.421 1.00 0.00 N ATOM 782 CA GLU A 48 11.856 6.508 -9.507 1.00 0.00 C ATOM 783 C GLU A 48 10.885 6.727 -8.346 1.00 0.00 C ATOM 784 O GLU A 48 10.453 7.851 -8.097 1.00 0.00 O ATOM 785 CB GLU A 48 13.278 6.271 -8.995 1.00 0.00 C ATOM 786 CG GLU A 48 13.964 5.151 -9.780 1.00 0.00 C ATOM 787 CD GLU A 48 14.784 4.253 -8.851 1.00 0.00 C ATOM 788 OE1 GLU A 48 15.799 4.757 -8.324 1.00 0.00 O ATOM 789 OE2 GLU A 48 14.377 3.082 -8.690 1.00 0.00 O ATOM 0 H GLU A 48 11.614 8.536 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 48 11.547 5.615 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.858 7.190 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.249 6.013 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.214 4.554 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.614 5.581 -10.542 1.00 0.00 H new ATOM 796 N CYS A 49 10.569 5.634 -7.667 1.00 0.00 N ATOM 797 CA CYS A 49 9.656 5.692 -6.538 1.00 0.00 C ATOM 798 C CYS A 49 10.347 6.446 -5.400 1.00 0.00 C ATOM 799 O CYS A 49 11.515 6.197 -5.105 1.00 0.00 O ATOM 800 CB CYS A 49 9.202 4.297 -6.105 1.00 0.00 C ATOM 801 SG CYS A 49 10.644 3.309 -5.563 1.00 0.00 S ATOM 0 H CYS A 49 10.929 4.703 -7.877 1.00 0.00 H new ATOM 0 HA CYS A 49 8.749 6.224 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.479 4.377 -5.293 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.698 3.797 -6.932 1.00 0.00 H new ATOM 0 HG CYS A 49 11.580 4.105 -5.137 1.00 0.00 H new ATOM 807 N LYS A 50 9.596 7.353 -4.792 1.00 0.00 N ATOM 808 CA LYS A 50 10.122 8.145 -3.693 1.00 0.00 C ATOM 809 C LYS A 50 9.350 7.810 -2.414 1.00 0.00 C ATOM 810 O LYS A 50 8.325 8.425 -2.125 1.00 0.00 O ATOM 811 CB LYS A 50 10.106 9.633 -4.049 1.00 0.00 C ATOM 812 CG LYS A 50 11.084 9.934 -5.186 1.00 0.00 C ATOM 813 CD LYS A 50 12.525 9.982 -4.672 1.00 0.00 C ATOM 814 CE LYS A 50 12.776 11.256 -3.863 1.00 0.00 C ATOM 815 NZ LYS A 50 14.126 11.227 -3.257 1.00 0.00 N ATOM 0 H LYS A 50 8.628 7.557 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 50 11.167 7.896 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.099 9.930 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.370 10.224 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.995 9.170 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.827 10.887 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.723 9.108 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.217 9.939 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.679 12.129 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.022 11.352 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.280 12.099 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.205 10.405 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.842 11.157 -4.008 1.00 0.00 H new ATOM 829 N GLY A 51 9.874 6.838 -1.683 1.00 0.00 N ATOM 830 CA GLY A 51 9.247 6.414 -0.442 1.00 0.00 C ATOM 831 C GLY A 51 8.498 5.094 -0.629 1.00 0.00 C ATOM 832 O GLY A 51 7.973 4.821 -1.708 1.00 0.00 O ATOM 0 H GLY A 51 10.726 6.332 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.006 6.299 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.555 7.183 -0.099 1.00 0.00 H new ATOM 836 N VAL A 52 8.470 4.309 0.438 1.00 0.00 N ATOM 837 CA VAL A 52 7.794 3.024 0.405 1.00 0.00 C ATOM 838 C VAL A 52 7.178 2.741 1.777 1.00 0.00 C ATOM 839 O VAL A 52 7.743 3.113 2.804 1.00 0.00 O ATOM 840 CB VAL A 52 8.765 1.933 -0.050 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.260 0.546 0.354 1.00 0.00 C ATOM 842 CG2 VAL A 52 9.008 2.010 -1.559 1.00 0.00 C ATOM 0 H VAL A 52 8.905 4.539 1.331 1.00 0.00 H new ATOM 0 HA VAL A 52 6.980 3.040 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 52 9.718 2.102 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.969 -0.211 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.162 0.496 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.289 0.364 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.702 1.224 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.063 1.879 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.432 2.982 -1.810 1.00 0.00 H new ATOM 852 N ILE A 53 6.026 2.086 1.750 1.00 0.00 N ATOM 853 CA ILE A 53 5.327 1.750 2.978 1.00 0.00 C ATOM 854 C ILE A 53 5.016 0.252 2.989 1.00 0.00 C ATOM 855 O ILE A 53 4.023 -0.183 2.408 1.00 0.00 O ATOM 856 CB ILE A 53 4.092 2.636 3.152 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.309 4.010 2.515 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.697 2.743 4.626 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.071 4.893 2.681 1.00 0.00 C ATOM 0 H ILE A 53 5.560 1.779 0.896 1.00 0.00 H new ATOM 0 HA ILE A 53 5.959 1.951 3.843 1.00 0.00 H new ATOM 0 HB ILE A 53 3.259 2.167 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.170 4.495 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.536 3.892 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.816 3.378 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.472 1.750 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.521 3.177 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.252 5.864 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.217 4.416 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.861 5.029 3.742 1.00 0.00 H new ATOM 871 N ASP A 54 5.883 -0.495 3.656 1.00 0.00 N ATOM 872 CA ASP A 54 5.713 -1.935 3.750 1.00 0.00 C ATOM 873 C ASP A 54 4.350 -2.244 4.373 1.00 0.00 C ATOM 874 O ASP A 54 4.206 -2.236 5.595 1.00 0.00 O ATOM 875 CB ASP A 54 6.791 -2.561 4.637 1.00 0.00 C ATOM 876 CG ASP A 54 7.281 -1.673 5.783 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.554 -0.709 6.104 1.00 0.00 O ATOM 878 OD2 ASP A 54 8.371 -1.979 6.311 1.00 0.00 O ATOM 0 H ASP A 54 6.705 -0.130 4.137 1.00 0.00 H new ATOM 0 HA ASP A 54 5.788 -2.349 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.401 -3.488 5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.644 -2.827 4.013 1.00 0.00 H new ATOM 883 N LEU A 55 3.385 -2.509 3.506 1.00 0.00 N ATOM 884 CA LEU A 55 2.039 -2.820 3.956 1.00 0.00 C ATOM 885 C LEU A 55 2.103 -3.911 5.027 1.00 0.00 C ATOM 886 O LEU A 55 1.322 -3.900 5.977 1.00 0.00 O ATOM 887 CB LEU A 55 1.145 -3.177 2.767 1.00 0.00 C ATOM 888 CG LEU A 55 0.941 -2.075 1.726 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.564 -2.667 0.366 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.086 -1.048 2.208 1.00 0.00 C ATOM 0 H LEU A 55 3.508 -2.515 2.493 1.00 0.00 H new ATOM 0 HA LEU A 55 1.581 -1.946 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.570 -4.047 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.168 -3.474 3.149 1.00 0.00 H new ATOM 0 HG LEU A 55 1.887 -1.549 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.425 -1.862 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.360 -3.328 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.362 -3.234 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.212 -0.276 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.041 -1.543 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.262 -0.592 3.135 1.00 0.00 H new ATOM 902 N ALA A 56 3.041 -4.828 4.837 1.00 0.00 N ATOM 903 CA ALA A 56 3.217 -5.924 5.774 1.00 0.00 C ATOM 904 C ALA A 56 3.347 -5.361 7.191 1.00 0.00 C ATOM 905 O ALA A 56 3.108 -6.069 8.168 1.00 0.00 O ATOM 906 CB ALA A 56 4.433 -6.756 5.364 1.00 0.00 C ATOM 0 H ALA A 56 3.687 -4.834 4.048 1.00 0.00 H new ATOM 0 HA ALA A 56 2.350 -6.585 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.565 -7.578 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.279 -7.156 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.323 -6.127 5.370 1.00 0.00 H new ATOM 912 N GLU A 57 3.724 -4.093 7.258 1.00 0.00 N ATOM 913 CA GLU A 57 3.889 -3.427 8.539 1.00 0.00 C ATOM 914 C GLU A 57 2.553 -2.850 9.012 1.00 0.00 C ATOM 915 O GLU A 57 2.329 -2.699 10.212 1.00 0.00 O ATOM 916 CB GLU A 57 4.959 -2.337 8.457 1.00 0.00 C ATOM 917 CG GLU A 57 6.343 -2.943 8.219 1.00 0.00 C ATOM 918 CD GLU A 57 6.715 -3.917 9.339 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.299 -5.090 9.232 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.406 -3.464 10.277 1.00 0.00 O ATOM 0 H GLU A 57 3.920 -3.509 6.445 1.00 0.00 H new ATOM 0 HA GLU A 57 4.224 -4.164 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.717 -1.645 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.965 -1.759 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.357 -3.463 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.087 -2.148 8.161 1.00 0.00 H new ATOM 927 N VAL A 58 1.701 -2.544 8.045 1.00 0.00 N ATOM 928 CA VAL A 58 0.393 -1.988 8.348 1.00 0.00 C ATOM 929 C VAL A 58 -0.354 -2.934 9.290 1.00 0.00 C ATOM 930 O VAL A 58 -0.366 -4.146 9.076 1.00 0.00 O ATOM 931 CB VAL A 58 -0.370 -1.709 7.052 1.00 0.00 C ATOM 932 CG1 VAL A 58 -1.816 -1.302 7.344 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.341 -0.643 6.215 1.00 0.00 C ATOM 0 H VAL A 58 1.891 -2.670 7.051 1.00 0.00 H new ATOM 0 HA VAL A 58 0.495 -1.032 8.862 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.392 -2.631 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.336 -1.109 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.319 -2.107 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.824 -0.399 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.222 -0.464 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.409 0.283 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.344 -0.988 5.962 1.00 0.00 H new ATOM 943 N GLU A 59 -0.958 -2.346 10.312 1.00 0.00 N ATOM 944 CA GLU A 59 -1.705 -3.122 11.287 1.00 0.00 C ATOM 945 C GLU A 59 -3.194 -3.127 10.933 1.00 0.00 C ATOM 946 O GLU A 59 -3.900 -4.094 11.216 1.00 0.00 O ATOM 947 CB GLU A 59 -1.480 -2.588 12.702 1.00 0.00 C ATOM 948 CG GLU A 59 -0.018 -2.750 13.123 1.00 0.00 C ATOM 949 CD GLU A 59 0.132 -2.634 14.642 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.626 -3.339 15.342 1.00 0.00 O ATOM 951 OE2 GLU A 59 1.000 -1.842 15.067 1.00 0.00 O ATOM 0 H GLU A 59 -0.945 -1.341 10.486 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.341 -4.149 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.760 -1.536 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.125 -3.119 13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.355 -3.719 12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.591 -1.989 12.635 1.00 0.00 H new ATOM 958 N ALA A 60 -3.627 -2.035 10.320 1.00 0.00 N ATOM 959 CA ALA A 60 -5.019 -1.902 9.925 1.00 0.00 C ATOM 960 C ALA A 60 -5.298 -0.448 9.538 1.00 0.00 C ATOM 961 O ALA A 60 -4.422 0.408 9.656 1.00 0.00 O ATOM 962 CB ALA A 60 -5.922 -2.386 11.062 1.00 0.00 C ATOM 0 H ALA A 60 -3.039 -1.235 10.087 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.231 -2.522 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.966 -2.286 10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.705 -3.432 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.739 -1.785 11.953 1.00 0.00 H new ATOM 968 N VAL A 61 -6.520 -0.213 9.085 1.00 0.00 N ATOM 969 CA VAL A 61 -6.925 1.122 8.680 1.00 0.00 C ATOM 970 C VAL A 61 -8.343 1.396 9.185 1.00 0.00 C ATOM 971 O VAL A 61 -9.143 0.473 9.329 1.00 0.00 O ATOM 972 CB VAL A 61 -6.791 1.273 7.163 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.921 -0.082 6.464 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.814 2.271 6.619 1.00 0.00 C ATOM 0 H VAL A 61 -7.244 -0.925 8.989 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.271 1.871 9.126 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.796 1.665 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.822 0.053 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.137 -0.751 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.896 -0.515 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.697 2.360 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.821 1.921 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.654 3.245 7.082 1.00 0.00 H new ATOM 984 N ALA A 62 -8.611 2.668 9.441 1.00 0.00 N ATOM 985 CA ALA A 62 -9.919 3.074 9.926 1.00 0.00 C ATOM 986 C ALA A 62 -10.387 4.306 9.148 1.00 0.00 C ATOM 987 O ALA A 62 -9.585 5.177 8.817 1.00 0.00 O ATOM 988 CB ALA A 62 -9.847 3.330 11.433 1.00 0.00 C ATOM 0 H ALA A 62 -7.945 3.431 9.322 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.651 2.283 9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.828 3.635 11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.538 2.417 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.124 4.120 11.634 1.00 0.00 H new ATOM 994 N PRO A 63 -11.718 4.339 8.872 1.00 0.00 N ATOM 995 CA PRO A 63 -12.303 5.449 8.139 1.00 0.00 C ATOM 996 C PRO A 63 -12.421 6.690 9.026 1.00 0.00 C ATOM 997 O PRO A 63 -13.314 6.774 9.867 1.00 0.00 O ATOM 998 CB PRO A 63 -13.649 4.935 7.655 1.00 0.00 C ATOM 999 CG PRO A 63 -13.970 3.728 8.521 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.698 3.325 9.249 1.00 0.00 C ATOM 0 HA PRO A 63 -11.688 5.769 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.418 5.701 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.606 4.659 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.758 3.969 9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.336 2.905 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.850 3.303 10.328 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.371 2.328 8.952 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.506 7.623 8.807 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.496 8.856 9.576 1.00 0.00 C ATOM 1010 C GLY A 64 -12.501 9.862 9.011 1.00 0.00 C ATOM 1011 O GLY A 64 -13.471 9.478 8.361 1.00 0.00 O ATOM 0 H GLY A 64 -10.767 7.550 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.737 8.641 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.496 9.289 9.563 1.00 0.00 H new ATOM 1015 N THR A 65 -12.234 11.132 9.281 1.00 0.00 N ATOM 1016 CA THR A 65 -13.103 12.196 8.809 1.00 0.00 C ATOM 1017 C THR A 65 -12.273 13.365 8.275 1.00 0.00 C ATOM 1018 O THR A 65 -11.065 13.426 8.499 1.00 0.00 O ATOM 1019 CB THR A 65 -14.038 12.588 9.955 1.00 0.00 C ATOM 1020 OG1 THR A 65 -15.317 12.700 9.337 1.00 0.00 O ATOM 1021 CG2 THR A 65 -13.755 13.994 10.486 1.00 0.00 C ATOM 0 H THR A 65 -11.428 11.447 9.821 1.00 0.00 H new ATOM 0 HA THR A 65 -13.715 11.863 7.971 1.00 0.00 H new ATOM 0 HB THR A 65 -13.939 11.867 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.985 12.950 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.446 14.222 11.298 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.731 14.044 10.856 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.886 14.719 9.683 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.972 14.288 7.562 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.312 15.452 6.995 1.00 0.00 C ATOM 1031 C PRO A 66 -11.991 16.483 8.079 1.00 0.00 C ATOM 1032 O PRO A 66 -12.896 17.054 8.686 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.276 15.977 5.943 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.629 15.373 6.280 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.403 14.249 7.277 1.00 0.00 C ATOM 0 HA PRO A 66 -11.347 15.212 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.319 17.066 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.957 15.687 4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.290 16.130 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.112 14.993 5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.991 14.399 8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.698 13.286 6.861 1.00 0.00 H new ATOM 1043 N THR A 67 -10.699 16.690 8.290 1.00 0.00 N ATOM 1044 CA THR A 67 -10.247 17.642 9.291 1.00 0.00 C ATOM 1045 C THR A 67 -9.654 18.881 8.618 1.00 0.00 C ATOM 1046 O THR A 67 -9.668 18.994 7.393 1.00 0.00 O ATOM 1047 CB THR A 67 -9.263 16.923 10.216 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.098 16.747 9.415 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.706 15.497 10.548 1.00 0.00 C ATOM 0 H THR A 67 -9.951 16.215 7.785 1.00 0.00 H new ATOM 0 HA THR A 67 -11.078 18.005 9.896 1.00 0.00 H new ATOM 0 HB THR A 67 -9.151 17.492 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.407 16.289 9.938 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.973 15.032 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.675 15.524 11.046 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.786 14.917 9.628 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.147 19.780 9.449 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.551 21.008 8.950 1.00 0.00 C ATOM 1059 C ILE A 68 -7.321 20.666 8.106 1.00 0.00 C ATOM 1060 O ILE A 68 -6.414 19.980 8.575 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.257 21.968 10.104 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.530 22.286 10.891 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.564 23.236 9.599 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.253 22.314 12.395 1.00 0.00 C ATOM 0 H ILE A 68 -9.137 19.683 10.464 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.249 21.534 8.299 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.568 21.476 10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.927 23.250 10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.293 21.539 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.366 23.902 10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.623 22.969 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.209 23.741 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.175 22.542 12.931 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.879 21.341 12.714 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.508 23.079 12.613 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.331 21.159 6.877 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.227 20.914 5.964 1.00 0.00 C ATOM 1078 C GLY A 69 -6.679 20.065 4.773 1.00 0.00 C ATOM 1079 O GLY A 69 -6.360 20.378 3.627 1.00 0.00 O ATOM 0 H GLY A 69 -8.086 21.727 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.827 21.863 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.420 20.406 6.492 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.414 19.008 5.086 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.912 18.112 4.056 1.00 0.00 C ATOM 1085 C ALA A 70 -8.526 18.937 2.923 1.00 0.00 C ATOM 1086 O ALA A 70 -8.904 20.090 3.123 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.913 17.133 4.672 1.00 0.00 C ATOM 0 H ALA A 70 -7.677 18.752 6.038 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.098 17.523 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.287 16.461 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.421 16.552 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.746 17.688 5.104 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.608 18.296 1.725 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.169 18.957 0.560 1.00 0.00 C ATOM 1095 C PRO A 71 -10.694 19.042 0.658 1.00 0.00 C ATOM 1096 O PRO A 71 -11.288 18.528 1.605 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.695 18.133 -0.626 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.278 16.786 -0.058 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.170 16.931 1.451 1.00 0.00 C ATOM 0 HA PRO A 71 -8.841 19.992 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.489 18.017 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.860 18.619 -1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.009 16.020 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.324 16.472 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.798 16.203 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.148 16.767 1.792 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.283 19.693 -0.333 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.727 19.852 -0.370 1.00 0.00 C ATOM 1109 C LYS A 72 -13.338 18.728 -1.210 1.00 0.00 C ATOM 1110 O LYS A 72 -14.202 17.992 -0.736 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.100 21.254 -0.855 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.170 22.238 0.314 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.567 22.850 0.434 1.00 0.00 C ATOM 1114 CE LYS A 72 -14.915 23.141 1.896 1.00 0.00 C ATOM 1115 NZ LYS A 72 -15.544 24.474 2.023 1.00 0.00 N ATOM 0 H LYS A 72 -10.787 20.117 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.145 19.765 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.364 21.599 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.062 21.222 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.913 21.725 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.434 23.029 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.615 23.772 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.304 22.168 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.592 22.375 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.013 23.098 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.774 24.656 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.885 25.203 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.416 24.502 1.456 1.00 0.00 H new ATOM 1129 N THR A 73 -12.865 18.631 -2.444 1.00 0.00 N ATOM 1130 CA THR A 73 -13.353 17.609 -3.355 1.00 0.00 C ATOM 1131 C THR A 73 -13.624 16.307 -2.599 1.00 0.00 C ATOM 1132 O THR A 73 -14.724 15.760 -2.672 1.00 0.00 O ATOM 1133 CB THR A 73 -12.332 17.455 -4.484 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.089 17.286 -3.808 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.147 18.745 -5.286 1.00 0.00 C ATOM 0 H THR A 73 -12.149 19.243 -2.834 1.00 0.00 H new ATOM 0 HA THR A 73 -14.307 17.896 -3.797 1.00 0.00 H new ATOM 0 HB THR A 73 -12.648 16.654 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.371 17.177 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.412 18.581 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.098 19.036 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.798 19.538 -4.624 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.603 15.848 -1.891 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.718 14.620 -1.122 1.00 0.00 C ATOM 1145 C VAL A 74 -13.865 14.756 -0.119 1.00 0.00 C ATOM 1146 O VAL A 74 -14.137 15.850 0.374 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.379 14.291 -0.459 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.485 13.024 0.393 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.268 14.159 -1.502 1.00 0.00 C ATOM 0 H VAL A 74 -11.692 16.304 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.957 13.781 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.121 15.118 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.520 12.813 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.233 13.171 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.778 12.185 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.327 13.925 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.517 13.360 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.167 15.098 -2.046 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.506 13.630 0.155 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.618 13.610 1.091 1.00 0.00 C ATOM 1161 C ASP A 75 -15.189 12.887 2.369 1.00 0.00 C ATOM 1162 O ASP A 75 -14.130 12.263 2.408 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.817 12.863 0.505 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.177 13.513 0.771 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.170 14.648 1.294 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.192 12.861 0.444 1.00 0.00 O ATOM 0 H ASP A 75 -14.277 12.724 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.903 14.641 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.679 12.773 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.829 11.851 0.910 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.034 12.996 3.384 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.756 12.361 4.661 1.00 0.00 C ATOM 1173 C GLU A 76 -15.742 10.839 4.505 1.00 0.00 C ATOM 1174 O GLU A 76 -15.025 10.144 5.223 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.770 12.795 5.722 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.177 12.311 5.365 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.185 13.460 5.433 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.982 14.343 6.295 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.136 13.429 4.623 1.00 0.00 O ATOM 0 H GLU A 76 -16.912 13.515 3.348 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.770 12.681 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.479 12.395 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.767 13.881 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.175 11.883 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.477 11.518 6.050 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.544 10.366 3.562 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.633 8.939 3.303 1.00 0.00 C ATOM 1188 C LYS A 77 -15.593 8.550 2.250 1.00 0.00 C ATOM 1189 O LYS A 77 -15.936 7.989 1.211 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.064 8.552 2.925 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.044 8.913 4.044 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.476 8.536 3.661 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.322 9.784 3.405 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.759 9.433 3.342 1.00 0.00 N ATOM 0 H LYS A 77 -17.138 10.945 2.968 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.401 8.373 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.352 9.063 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.114 7.482 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.761 8.396 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.988 9.982 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.465 7.911 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.926 7.945 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.154 10.513 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.015 10.253 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.319 10.292 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.917 8.754 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.052 9.006 4.244 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.342 8.864 2.556 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.250 8.555 1.650 1.00 0.00 C ATOM 1210 C ALA A 78 -11.943 8.478 2.441 1.00 0.00 C ATOM 1211 O ALA A 78 -11.154 7.552 2.255 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.197 9.603 0.537 1.00 0.00 C ATOM 0 H ALA A 78 -14.061 9.329 3.419 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.407 7.586 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.377 9.371 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.138 9.597 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.038 10.589 0.973 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.753 9.462 3.307 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.555 9.518 4.127 1.00 0.00 C ATOM 1220 C PHE A 79 -10.406 8.247 4.966 1.00 0.00 C ATOM 1221 O PHE A 79 -11.384 7.745 5.518 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.709 10.718 5.064 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.708 12.070 4.348 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.530 12.693 4.074 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.884 12.649 3.984 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.529 13.948 3.409 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -11.882 13.904 3.320 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.705 14.527 3.046 1.00 0.00 C ATOM 0 H PHE A 79 -12.409 10.228 3.459 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.674 9.608 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.640 10.614 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.898 10.704 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.596 12.233 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.819 12.154 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.594 14.443 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.816 14.364 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.704 15.481 2.540 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.175 7.764 5.036 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.885 6.561 5.799 1.00 0.00 C ATOM 1240 C PHE A 80 -7.465 6.601 6.367 1.00 0.00 C ATOM 1241 O PHE A 80 -6.509 6.869 5.640 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.002 5.380 4.833 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.948 5.376 3.724 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.105 6.175 2.635 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.855 4.573 3.828 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.126 6.171 1.605 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.877 4.569 2.799 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.033 5.368 1.709 1.00 0.00 C ATOM 0 H PHE A 80 -8.366 8.183 4.577 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.579 6.474 6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.923 4.452 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.993 5.392 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.973 6.812 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.731 3.939 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.250 6.805 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.009 3.932 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.289 5.365 0.926 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.371 6.330 7.660 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.084 6.331 8.334 1.00 0.00 C ATOM 1260 C ASP A 81 -5.483 4.925 8.280 1.00 0.00 C ATOM 1261 O ASP A 81 -6.173 3.941 8.545 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.233 6.726 9.805 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.594 8.064 10.183 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.982 9.075 9.559 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.732 8.045 11.088 1.00 0.00 O ATOM 0 H ASP A 81 -8.166 6.108 8.259 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.440 7.052 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.295 6.766 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.793 5.943 10.422 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.205 4.875 7.936 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.504 3.606 7.844 1.00 0.00 C ATOM 1272 C VAL A 82 -2.584 3.448 9.056 1.00 0.00 C ATOM 1273 O VAL A 82 -1.625 4.202 9.215 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.758 3.516 6.511 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.700 2.410 6.549 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.732 3.304 5.351 1.00 0.00 C ATOM 0 H VAL A 82 -3.636 5.693 7.718 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.211 2.777 7.862 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.246 4.464 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.184 2.367 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.980 2.622 7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.182 1.452 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.176 3.244 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.285 2.377 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.430 4.140 5.305 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.908 2.462 9.880 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.122 2.195 11.073 1.00 0.00 C ATOM 1288 C LYS A 83 -0.931 1.306 10.706 1.00 0.00 C ATOM 1289 O LYS A 83 -1.098 0.276 10.055 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.006 1.612 12.177 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.931 2.683 12.760 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.897 2.076 13.781 1.00 0.00 C ATOM 1293 CE LYS A 83 -6.082 3.009 14.036 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.633 2.789 15.392 1.00 0.00 N ATOM 0 H LYS A 83 -3.704 1.838 9.745 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.716 3.122 11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.601 0.791 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.381 1.197 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.336 3.463 13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.495 3.158 11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.259 1.114 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.371 1.886 14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.765 4.046 13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.857 2.835 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.437 3.430 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.954 1.804 15.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.896 2.978 16.101 1.00 0.00 H new ATOM 1308 N THR A 84 0.244 1.738 11.140 1.00 0.00 N ATOM 1309 CA THR A 84 1.462 0.995 10.865 1.00 0.00 C ATOM 1310 C THR A 84 2.368 0.982 12.098 1.00 0.00 C ATOM 1311 O THR A 84 2.132 1.718 13.054 1.00 0.00 O ATOM 1312 CB THR A 84 2.123 1.611 9.631 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.816 2.999 9.729 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.454 1.172 8.327 1.00 0.00 C ATOM 0 H THR A 84 0.378 2.593 11.680 1.00 0.00 H new ATOM 0 HA THR A 84 1.247 -0.051 10.648 1.00 0.00 H new ATOM 0 HB THR A 84 3.177 1.335 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.223 3.368 10.540 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.962 1.638 7.483 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.515 0.088 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.408 1.477 8.334 1.00 0.00 H new ATOM 1322 N THR A 85 3.386 0.136 12.036 1.00 0.00 N ATOM 1323 CA THR A 85 4.329 0.018 13.135 1.00 0.00 C ATOM 1324 C THR A 85 5.040 1.351 13.373 1.00 0.00 C ATOM 1325 O THR A 85 5.132 1.815 14.509 1.00 0.00 O ATOM 1326 CB THR A 85 5.285 -1.133 12.815 1.00 0.00 C ATOM 1327 OG1 THR A 85 6.064 -0.645 11.726 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.563 -2.352 12.240 1.00 0.00 C ATOM 0 H THR A 85 3.578 -0.474 11.242 1.00 0.00 H new ATOM 0 HA THR A 85 3.820 -0.214 14.071 1.00 0.00 H new ATOM 0 HB THR A 85 5.820 -1.422 13.720 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.712 -1.328 11.455 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.288 -3.139 12.031 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.831 -2.715 12.961 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.055 -2.072 11.317 1.00 0.00 H new ATOM 1336 N ARG A 86 5.526 1.929 12.285 1.00 0.00 N ATOM 1337 CA ARG A 86 6.227 3.200 12.361 1.00 0.00 C ATOM 1338 C ARG A 86 5.351 4.248 13.051 1.00 0.00 C ATOM 1339 O ARG A 86 5.626 4.646 14.182 1.00 0.00 O ATOM 1340 CB ARG A 86 6.610 3.702 10.968 1.00 0.00 C ATOM 1341 CG ARG A 86 8.101 3.490 10.699 1.00 0.00 C ATOM 1342 CD ARG A 86 8.510 4.105 9.359 1.00 0.00 C ATOM 1343 NE ARG A 86 9.636 3.343 8.776 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.889 3.370 9.252 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.182 4.122 10.321 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.847 2.646 8.658 1.00 0.00 N ATOM 0 H ARG A 86 5.448 1.541 11.345 1.00 0.00 H new ATOM 0 HA ARG A 86 7.137 3.043 12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.023 3.177 10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.368 4.761 10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.686 3.938 11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.326 2.423 10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.663 4.100 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.799 5.146 9.500 1.00 0.00 H new ATOM 0 HE ARG A 86 9.447 2.760 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.452 4.673 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.135 4.143 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.623 2.074 7.844 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.800 2.667 9.020 1.00 0.00 H new ATOM 1360 N ARG A 87 4.313 4.666 12.340 1.00 0.00 N ATOM 1361 CA ARG A 87 3.396 5.660 12.870 1.00 0.00 C ATOM 1362 C ARG A 87 2.086 5.648 12.079 1.00 0.00 C ATOM 1363 O ARG A 87 1.981 4.974 11.056 1.00 0.00 O ATOM 1364 CB ARG A 87 4.007 7.061 12.810 1.00 0.00 C ATOM 1365 CG ARG A 87 4.132 7.543 11.363 1.00 0.00 C ATOM 1366 CD ARG A 87 5.319 8.495 11.203 1.00 0.00 C ATOM 1367 NE ARG A 87 5.123 9.353 10.013 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.743 10.526 9.823 1.00 0.00 C ATOM 1369 NH1 ARG A 87 6.602 10.987 10.742 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.504 11.237 8.713 1.00 0.00 N ATOM 0 H ARG A 87 4.088 4.334 11.402 1.00 0.00 H new ATOM 0 HA ARG A 87 3.198 5.407 13.912 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.388 7.756 13.377 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.990 7.053 13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.256 6.687 10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.213 8.048 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.422 9.114 12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.242 7.924 11.102 1.00 0.00 H new ATOM 0 HE ARG A 87 4.476 9.032 9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.784 10.445 11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.074 11.880 10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.851 10.886 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.975 12.130 8.568 1.00 0.00 H new ATOM 1384 N VAL A 88 1.120 6.403 12.583 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.178 6.487 11.936 1.00 0.00 C ATOM 1386 C VAL A 88 -0.088 7.441 10.744 1.00 0.00 C ATOM 1387 O VAL A 88 0.675 8.406 10.772 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.243 6.901 12.954 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.448 7.537 12.257 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.672 5.711 13.814 1.00 0.00 C ATOM 0 H VAL A 88 1.211 6.962 13.432 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.477 5.512 11.550 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.804 7.649 13.614 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.191 7.822 13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.126 8.422 11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.887 6.820 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.429 6.033 14.529 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.085 4.930 13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.808 5.321 14.352 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.876 7.138 9.723 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.895 7.957 8.523 1.00 0.00 C ATOM 1402 C TYR A 89 -2.306 8.471 8.231 1.00 0.00 C ATOM 1403 O TYR A 89 -3.281 7.965 8.785 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.452 7.040 7.380 1.00 0.00 C ATOM 1405 CG TYR A 89 0.939 6.435 7.572 1.00 0.00 C ATOM 1406 CD1 TYR A 89 1.946 7.186 8.143 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.188 5.137 7.173 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.256 6.616 8.324 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.498 4.567 7.354 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.468 5.335 7.920 1.00 0.00 C ATOM 1411 OH TYR A 89 4.705 4.796 8.090 1.00 0.00 O ATOM 0 H TYR A 89 -1.506 6.336 9.702 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.245 8.824 8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.177 6.233 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.466 7.605 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.752 8.202 8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.400 4.549 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.052 7.193 8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.706 3.553 7.047 1.00 0.00 H new ATOM 0 HH TYR A 89 4.709 3.874 7.757 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.370 9.468 7.362 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.646 10.056 6.990 1.00 0.00 C ATOM 1423 C ASN A 90 -3.759 10.095 5.465 1.00 0.00 C ATOM 1424 O ASN A 90 -3.305 11.046 4.829 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.765 11.490 7.510 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.551 11.534 8.822 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.729 11.848 8.859 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.835 11.203 9.893 1.00 0.00 N ATOM 0 H ASN A 90 -1.559 9.884 6.904 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.438 9.448 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.770 11.909 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.261 12.111 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.269 11.202 10.816 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.852 10.950 9.791 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.368 9.052 4.921 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.546 8.955 3.482 1.00 0.00 C ATOM 1437 C PHE A 91 -6.020 9.105 3.101 1.00 0.00 C ATOM 1438 O PHE A 91 -6.903 8.933 3.941 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.062 7.565 3.063 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.552 7.364 3.205 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.693 8.311 2.742 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.069 6.237 3.795 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.291 8.123 2.874 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.667 6.050 3.927 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.192 6.997 3.464 1.00 0.00 C ATOM 0 H PHE A 91 -4.745 8.266 5.451 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.987 9.747 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.576 6.816 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.346 7.390 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.076 9.206 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.751 5.485 4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.391 8.875 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.283 5.156 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.258 6.855 3.565 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.242 9.423 1.834 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.594 9.597 1.332 1.00 0.00 C ATOM 1457 C CYS A 92 -7.540 9.615 -0.197 1.00 0.00 C ATOM 1458 O CYS A 92 -6.569 10.093 -0.782 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.248 10.861 1.894 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.385 12.346 1.262 1.00 0.00 S ATOM 0 H CYS A 92 -5.508 9.565 1.140 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.217 8.766 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.300 10.893 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.212 10.845 2.983 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.946 13.413 1.747 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.595 9.087 -0.801 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.679 9.036 -2.250 1.00 0.00 C ATOM 1468 C ALA A 93 -9.264 10.351 -2.770 1.00 0.00 C ATOM 1469 O ALA A 93 -9.359 11.328 -2.028 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.510 7.822 -2.671 1.00 0.00 C ATOM 0 H ALA A 93 -9.398 8.691 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.687 8.920 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.573 7.784 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.037 6.912 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.513 7.905 -2.252 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.642 10.333 -4.039 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.215 11.512 -4.666 1.00 0.00 C ATOM 1478 C GLN A 94 -11.734 11.367 -4.780 1.00 0.00 C ATOM 1479 O GLN A 94 -12.422 12.304 -5.182 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.585 11.765 -6.037 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.507 12.847 -5.952 1.00 0.00 C ATOM 1482 CD GLN A 94 -8.775 13.969 -6.958 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.577 14.860 -6.733 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.062 13.875 -8.076 1.00 0.00 N ATOM 0 H GLN A 94 -9.563 9.521 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.997 12.376 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.149 10.841 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.356 12.069 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.478 13.258 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.529 12.407 -6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.407 13.103 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.169 14.575 -8.810 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.213 10.185 -4.418 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.638 9.906 -4.475 1.00 0.00 C ATOM 1495 C ASP A 95 -14.043 9.095 -3.242 1.00 0.00 C ATOM 1496 O ASP A 95 -13.190 8.540 -2.552 1.00 0.00 O ATOM 1497 CB ASP A 95 -13.989 9.086 -5.717 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.232 9.558 -6.474 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.915 10.457 -5.937 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.471 9.010 -7.571 1.00 0.00 O ATOM 0 H ASP A 95 -11.640 9.410 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.168 10.858 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.138 9.104 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.136 8.048 -5.419 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.346 9.051 -3.005 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.875 8.317 -1.868 1.00 0.00 C ATOM 1507 C VAL A 96 -15.837 6.818 -2.172 1.00 0.00 C ATOM 1508 O VAL A 96 -15.406 6.022 -1.339 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.277 8.822 -1.525 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.167 7.679 -1.033 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.217 9.952 -0.495 1.00 0.00 C ATOM 0 H VAL A 96 -16.051 9.512 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.259 8.485 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.720 9.223 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.158 8.066 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.250 6.921 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.728 7.235 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.228 10.292 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.744 9.588 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.636 10.782 -0.898 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.306 6.468 -3.400 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.330 5.079 -3.824 1.00 0.00 C ATOM 1523 C PRO A 97 -14.926 4.591 -4.184 1.00 0.00 C ATOM 1524 O PRO A 97 -14.685 3.388 -4.266 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.291 5.044 -5.001 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.410 6.480 -5.485 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.825 7.384 -4.412 1.00 0.00 C ATOM 0 HA PRO A 97 -16.662 4.404 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.916 4.395 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.262 4.651 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.877 6.611 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.453 6.735 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.035 8.018 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.584 8.046 -3.995 1.00 0.00 H new ATOM 1535 N SER A 98 -14.035 5.551 -4.390 1.00 0.00 N ATOM 1536 CA SER A 98 -12.661 5.234 -4.739 1.00 0.00 C ATOM 1537 C SER A 98 -11.875 4.858 -3.482 1.00 0.00 C ATOM 1538 O SER A 98 -11.078 3.921 -3.500 1.00 0.00 O ATOM 1539 CB SER A 98 -11.990 6.409 -5.454 1.00 0.00 C ATOM 1540 OG SER A 98 -11.535 7.401 -4.538 1.00 0.00 O ATOM 0 H SER A 98 -14.239 6.548 -4.322 1.00 0.00 H new ATOM 0 HA SER A 98 -12.668 4.384 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.147 6.043 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.695 6.858 -6.154 1.00 0.00 H new ATOM 0 HG SER A 98 -12.238 7.586 -3.881 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.125 5.609 -2.419 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.451 5.367 -1.155 1.00 0.00 C ATOM 1548 C ALA A 99 -11.803 3.964 -0.655 1.00 0.00 C ATOM 1549 O ALA A 99 -10.917 3.179 -0.322 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.836 6.457 -0.153 1.00 0.00 C ATOM 0 H ALA A 99 -12.786 6.386 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.369 5.410 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.330 6.275 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.538 7.431 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.915 6.443 0.003 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.099 3.692 -0.618 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.580 2.398 -0.164 1.00 0.00 C ATOM 1558 C GLN A 100 -12.780 1.274 -0.825 1.00 0.00 C ATOM 1559 O GLN A 100 -12.452 0.279 -0.180 1.00 0.00 O ATOM 1560 CB GLN A 100 -15.076 2.242 -0.439 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.891 3.259 0.362 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.616 3.123 1.861 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.098 2.125 2.335 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -15.992 4.178 2.578 1.00 0.00 N ATOM 0 H GLN A 100 -13.831 4.346 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.435 2.335 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.269 2.374 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.393 1.232 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.644 4.268 0.033 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.954 3.112 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.420 4.981 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.852 4.184 3.588 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.489 1.469 -2.102 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.734 0.484 -2.857 1.00 0.00 C ATOM 1575 C GLN A 101 -10.287 0.431 -2.363 1.00 0.00 C ATOM 1576 O GLN A 101 -9.647 -0.618 -2.417 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.790 0.781 -4.357 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.192 0.526 -4.915 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.132 0.148 -6.396 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -13.085 0.991 -7.277 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.137 -1.163 -6.621 1.00 0.00 N ATOM 0 H GLN A 101 -12.763 2.295 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.189 -0.494 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.506 1.818 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -11.067 0.157 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.672 -0.274 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.806 1.418 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.178 -1.815 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.100 -1.517 -7.577 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.814 1.575 -1.891 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.455 1.672 -1.387 1.00 0.00 C ATOM 1592 C TRP A 102 -8.387 0.911 -0.062 1.00 0.00 C ATOM 1593 O TRP A 102 -7.483 0.104 0.149 1.00 0.00 O ATOM 1594 CB TRP A 102 -8.020 3.133 -1.261 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.302 3.678 -2.497 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.781 4.515 -3.428 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.947 3.388 -2.902 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.838 4.784 -4.399 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.688 4.078 -4.069 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.973 2.571 -2.302 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.458 4.020 -4.736 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.750 2.524 -2.981 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.473 3.212 -4.157 1.00 0.00 C ATOM 0 H TRP A 102 -10.348 2.443 -1.847 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.751 1.219 -2.085 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.899 3.747 -1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.362 3.232 -0.398 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.779 4.927 -3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.963 5.390 -5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.154 2.023 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.279 4.569 -5.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.966 1.910 -2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.502 3.123 -4.622 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.355 1.195 0.797 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.416 0.547 2.097 1.00 0.00 C ATOM 1616 C VAL A 103 -9.513 -0.967 1.903 1.00 0.00 C ATOM 1617 O VAL A 103 -8.590 -1.702 2.251 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.575 1.121 2.913 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.774 0.335 4.210 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.360 2.608 3.202 1.00 0.00 C ATOM 0 H VAL A 103 -10.103 1.865 0.619 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.507 0.744 2.665 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.483 1.023 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.604 0.764 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.995 -0.706 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.865 0.387 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.199 2.991 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.437 2.739 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.291 3.155 2.262 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.639 -1.389 1.347 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.869 -2.803 1.103 1.00 0.00 C ATOM 1632 C ASP A 104 -9.581 -3.443 0.582 1.00 0.00 C ATOM 1633 O ASP A 104 -9.220 -4.544 0.994 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.959 -3.010 0.049 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.790 -4.283 0.218 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.478 -5.043 1.161 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.719 -4.467 -0.597 1.00 0.00 O ATOM 0 H ASP A 104 -11.402 -0.777 1.058 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.183 -3.260 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.630 -2.151 0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.492 -3.027 -0.936 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.921 -2.724 -0.315 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.680 -3.207 -0.895 1.00 0.00 C ATOM 1644 C ARG A 105 -6.627 -3.409 0.196 1.00 0.00 C ATOM 1645 O ARG A 105 -6.228 -4.538 0.477 1.00 0.00 O ATOM 1646 CB ARG A 105 -7.142 -2.227 -1.939 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.648 -2.583 -3.338 1.00 0.00 C ATOM 1648 CD ARG A 105 -7.525 -1.388 -4.286 1.00 0.00 C ATOM 1649 NE ARG A 105 -8.561 -1.471 -5.341 1.00 0.00 N ATOM 1650 CZ ARG A 105 -8.547 -2.365 -6.339 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -7.552 -3.258 -6.425 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -9.529 -2.365 -7.251 1.00 0.00 N ATOM 0 H ARG A 105 -9.223 -1.811 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.890 -4.159 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.450 -1.213 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -6.052 -2.241 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -7.078 -3.424 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.689 -2.902 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.635 -0.458 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.534 -1.373 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.334 -0.806 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.805 -3.257 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.542 -3.938 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.286 -1.685 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.519 -3.045 -8.011 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.207 -2.298 0.781 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.207 -2.338 1.835 1.00 0.00 C ATOM 1668 C ILE A 106 -5.658 -3.316 2.922 1.00 0.00 C ATOM 1669 O ILE A 106 -4.854 -4.093 3.435 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.921 -0.929 2.357 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.348 -0.040 1.250 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.010 -0.973 3.585 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.852 1.398 1.387 1.00 0.00 C ATOM 0 H ILE A 106 -6.541 -1.363 0.545 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.258 -2.707 1.446 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.865 -0.484 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.259 -0.053 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.632 -0.438 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.823 0.042 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.493 -1.547 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.064 -1.445 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.430 2.009 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.940 1.410 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.545 1.801 2.352 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.942 -3.247 3.240 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.510 -4.116 4.256 1.00 0.00 C ATOM 1687 C GLN A 107 -7.269 -5.583 3.894 1.00 0.00 C ATOM 1688 O GLN A 107 -7.361 -6.461 4.751 1.00 0.00 O ATOM 1689 CB GLN A 107 -9.002 -3.837 4.447 1.00 0.00 C ATOM 1690 CG GLN A 107 -9.259 -3.115 5.771 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.908 -4.054 6.790 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -10.215 -5.201 6.509 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -10.098 -3.505 7.987 1.00 0.00 N ATOM 0 H GLN A 107 -7.606 -2.602 2.811 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.012 -3.908 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.371 -3.230 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.557 -4.775 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.319 -2.733 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.906 -2.254 5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.818 -2.539 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.524 -4.050 8.736 1.00 0.00 H new ATOM 1702 N SER A 108 -6.965 -5.804 2.624 1.00 0.00 N ATOM 1703 CA SER A 108 -6.710 -7.149 2.138 1.00 0.00 C ATOM 1704 C SER A 108 -5.205 -7.419 2.110 1.00 0.00 C ATOM 1705 O SER A 108 -4.776 -8.536 1.822 1.00 0.00 O ATOM 1706 CB SER A 108 -7.312 -7.356 0.746 1.00 0.00 C ATOM 1707 OG SER A 108 -7.425 -8.736 0.413 1.00 0.00 O ATOM 0 H SER A 108 -6.889 -5.074 1.916 1.00 0.00 H new ATOM 0 HA SER A 108 -7.187 -7.854 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.297 -6.891 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.691 -6.854 0.004 1.00 0.00 H new ATOM 0 HG SER A 108 -6.603 -9.203 0.670 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.443 -6.379 2.414 1.00 0.00 N ATOM 1714 CA CYS A 109 -2.995 -6.489 2.428 1.00 0.00 C ATOM 1715 C CYS A 109 -2.499 -6.143 3.833 1.00 0.00 C ATOM 1716 O CYS A 109 -1.351 -5.739 4.009 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.349 -5.603 1.361 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.115 -3.909 2.012 1.00 0.00 S ATOM 0 H CYS A 109 -4.802 -5.455 2.653 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.704 -7.511 2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -1.388 -6.022 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -2.977 -5.576 0.470 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.082 -3.622 2.832 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.391 -6.313 4.799 1.00 0.00 N ATOM 1725 CA LEU A 110 -3.059 -6.024 6.183 1.00 0.00 C ATOM 1726 C LEU A 110 -1.925 -6.946 6.635 1.00 0.00 C ATOM 1727 O LEU A 110 -0.834 -6.918 6.067 1.00 0.00 O ATOM 1728 CB LEU A 110 -4.308 -6.109 7.063 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.432 -5.126 6.728 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.613 -5.297 7.686 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.914 -3.686 6.709 1.00 0.00 C ATOM 0 H LEU A 110 -4.343 -6.647 4.650 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.697 -5.001 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.706 -7.122 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.010 -5.950 8.099 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.795 -5.351 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.398 -4.587 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.002 -6.312 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.282 -5.114 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.733 -3.008 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.509 -3.432 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.131 -3.591 5.957 1.00 0.00 H new ATOM 1743 N SER A 111 -2.221 -7.741 7.652 1.00 0.00 N ATOM 1744 CA SER A 111 -1.240 -8.670 8.187 1.00 0.00 C ATOM 1745 C SER A 111 -1.668 -10.110 7.893 1.00 0.00 C ATOM 1746 O SER A 111 -0.947 -10.852 7.228 1.00 0.00 O ATOM 1747 CB SER A 111 -1.053 -8.469 9.692 1.00 0.00 C ATOM 1748 OG SER A 111 0.077 -9.180 10.189 1.00 0.00 O ATOM 0 H SER A 111 -3.127 -7.761 8.120 1.00 0.00 H new ATOM 0 HA SER A 111 -0.284 -8.475 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.935 -7.406 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.949 -8.801 10.216 1.00 0.00 H new ATOM 0 HG SER A 111 0.163 -9.025 11.153 1.00 0.00 H new ATOM 1754 N SER A 112 -2.840 -10.461 8.403 1.00 0.00 N ATOM 1755 CA SER A 112 -3.372 -11.798 8.204 1.00 0.00 C ATOM 1756 C SER A 112 -2.485 -12.825 8.910 1.00 0.00 C ATOM 1757 O SER A 112 -1.306 -12.958 8.587 1.00 0.00 O ATOM 1758 CB SER A 112 -3.486 -12.129 6.714 1.00 0.00 C ATOM 1759 OG SER A 112 -4.331 -11.211 6.026 1.00 0.00 O ATOM 0 H SER A 112 -3.436 -9.842 8.953 1.00 0.00 H new ATOM 0 HA SER A 112 -4.373 -11.836 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.494 -12.116 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.877 -13.140 6.596 1.00 0.00 H new ATOM 0 HG SER A 112 -4.376 -11.455 5.078 1.00 0.00 H new ATOM 1765 N GLY A 113 -3.086 -13.525 9.860 1.00 0.00 N ATOM 1766 CA GLY A 113 -2.366 -14.536 10.615 1.00 0.00 C ATOM 1767 C GLY A 113 -3.285 -15.227 11.623 1.00 0.00 C ATOM 1768 O GLY A 113 -4.457 -15.468 11.337 1.00 0.00 O ATOM 0 H GLY A 113 -4.065 -13.412 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.948 -15.276 9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.528 -14.076 11.138 1.00 0.00 H new ATOM 1772 N PRO A 114 -2.705 -15.535 12.814 1.00 0.00 N ATOM 1773 CA PRO A 114 -3.459 -16.194 13.866 1.00 0.00 C ATOM 1774 C PRO A 114 -4.419 -15.216 14.548 1.00 0.00 C ATOM 1775 O PRO A 114 -4.042 -14.532 15.499 1.00 0.00 O ATOM 1776 CB PRO A 114 -2.409 -16.752 14.813 1.00 0.00 C ATOM 1777 CG PRO A 114 -1.128 -15.993 14.509 1.00 0.00 C ATOM 1778 CD PRO A 114 -1.320 -15.265 13.188 1.00 0.00 C ATOM 0 HA PRO A 114 -4.099 -16.991 13.488 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.708 -16.614 15.852 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.274 -17.823 14.660 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.906 -15.284 15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.283 -16.679 14.448 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -1.140 -14.195 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -0.627 -15.630 12.430 1.00 0.00 H new ATOM 1786 N SER A 115 -5.640 -15.180 14.034 1.00 0.00 N ATOM 1787 CA SER A 115 -6.656 -14.297 14.581 1.00 0.00 C ATOM 1788 C SER A 115 -8.043 -14.749 14.123 1.00 0.00 C ATOM 1789 O SER A 115 -8.165 -15.558 13.204 1.00 0.00 O ATOM 1790 CB SER A 115 -6.406 -12.846 14.166 1.00 0.00 C ATOM 1791 OG SER A 115 -5.555 -12.166 15.086 1.00 0.00 O ATOM 0 H SER A 115 -5.948 -15.748 13.245 1.00 0.00 H new ATOM 0 HA SER A 115 -6.605 -14.349 15.669 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.957 -12.825 13.173 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.358 -12.320 14.096 1.00 0.00 H new ATOM 0 HG SER A 115 -4.867 -12.783 15.412 1.00 0.00 H new ATOM 1797 N SER A 116 -9.056 -14.206 14.783 1.00 0.00 N ATOM 1798 CA SER A 116 -10.430 -14.543 14.455 1.00 0.00 C ATOM 1799 C SER A 116 -11.391 -13.718 15.314 1.00 0.00 C ATOM 1800 O SER A 116 -11.150 -13.517 16.503 1.00 0.00 O ATOM 1801 CB SER A 116 -10.693 -16.038 14.651 1.00 0.00 C ATOM 1802 OG SER A 116 -12.055 -16.377 14.408 1.00 0.00 O ATOM 0 H SER A 116 -8.952 -13.535 15.544 1.00 0.00 H new ATOM 0 HA SER A 116 -10.598 -14.307 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.052 -16.610 13.980 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.424 -16.323 15.668 1.00 0.00 H new ATOM 0 HG SER A 116 -12.181 -17.340 14.542 1.00 0.00 H new ATOM 1808 N GLY A 117 -12.460 -13.263 14.677 1.00 0.00 N ATOM 1809 CA GLY A 117 -13.458 -12.464 15.368 1.00 0.00 C ATOM 1810 C GLY A 117 -14.678 -13.311 15.738 1.00 0.00 C ATOM 1811 O GLY A 117 -14.575 -14.237 16.540 1.00 0.00 O ATOM 0 H GLY A 117 -12.657 -13.432 13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -13.023 -12.033 16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -13.767 -11.633 14.734 1.00 0.00 H new TER 1815 GLY A 117