USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -11! C(o=-24!,f=-33!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -13.2! (180deg=-9.46!) USER MOD Set 2.1: A 75 SER OG : rot -105:sc= -0.839! USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -5.17! (180deg=-5.16!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= -1.35 USER MOD Set 3.2: A 92 THR OG1 : rot 98:sc= 1.41 USER MOD Set 4.1: A 25 THR OG1 : rot -49:sc= 1.47 USER MOD Set 4.2: A 37 THR OG1 : rot 33:sc= 1.1 USER MOD Set 5.1: A 19 HIS : no HE2:sc= 1.3 K(o=1.3,f=-4.2!) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 65:sc= 0.701 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 17 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.89) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -11.4! C(o=-15!,f=-11!) USER MOD Single : A 21 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.097) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00258 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 12:sc= 0.0407 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -2:sc= 1.07 USER MOD Single : A 61 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.23) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -13.3! C(o=-14!,f=-13!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -3.7! (180deg=-3.7!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 31.922 6.331 -27.803 1.00 0.00 N ATOM 2 CA ALA A 1 32.163 6.050 -29.207 1.00 0.00 C ATOM 3 C ALA A 1 31.364 4.812 -29.619 1.00 0.00 C ATOM 4 O ALA A 1 31.935 3.826 -30.083 1.00 0.00 O ATOM 5 CB ALA A 1 33.665 5.880 -29.444 1.00 0.00 C ATOM 0 H1 ALA A 1 32.464 7.172 -27.519 1.00 0.00 H new ATOM 0 H2 ALA A 1 30.908 6.506 -27.653 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.222 5.517 -27.230 1.00 0.00 H new ATOM 0 HA ALA A 1 31.827 6.881 -29.828 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.845 5.669 -30.498 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.184 6.797 -29.163 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.037 5.053 -28.840 1.00 0.00 H new ATOM 11 N GLU A 2 30.055 4.902 -29.434 1.00 0.00 N ATOM 12 CA GLU A 2 29.173 3.802 -29.781 1.00 0.00 C ATOM 13 C GLU A 2 27.716 4.186 -29.518 1.00 0.00 C ATOM 14 O GLU A 2 27.437 5.284 -29.035 1.00 0.00 O ATOM 15 CB GLU A 2 29.552 2.533 -29.015 1.00 0.00 C ATOM 16 CG GLU A 2 29.636 1.329 -29.957 1.00 0.00 C ATOM 17 CD GLU A 2 29.153 0.055 -29.260 1.00 0.00 C ATOM 18 OE1 GLU A 2 29.628 -0.189 -28.130 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.322 -0.647 -29.874 1.00 0.00 O ATOM 0 H GLU A 2 29.584 5.720 -29.048 1.00 0.00 H new ATOM 0 HA GLU A 2 29.287 3.593 -30.845 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.511 2.677 -28.517 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.814 2.340 -28.236 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.031 1.514 -30.845 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.664 1.197 -30.294 1.00 0.00 H new ATOM 26 N GLU A 3 26.824 3.262 -29.845 1.00 0.00 N ATOM 27 CA GLU A 3 25.403 3.492 -29.648 1.00 0.00 C ATOM 28 C GLU A 3 24.672 2.161 -29.461 1.00 0.00 C ATOM 29 O GLU A 3 25.235 1.099 -29.718 1.00 0.00 O ATOM 30 CB GLU A 3 24.809 4.283 -30.815 1.00 0.00 C ATOM 31 CG GLU A 3 24.895 3.486 -32.119 1.00 0.00 C ATOM 32 CD GLU A 3 23.742 3.843 -33.057 1.00 0.00 C ATOM 33 OE1 GLU A 3 23.914 4.812 -33.827 1.00 0.00 O ATOM 34 OE2 GLU A 3 22.711 3.139 -32.984 1.00 0.00 O ATOM 0 H GLU A 3 27.058 2.353 -30.245 1.00 0.00 H new ATOM 0 HA GLU A 3 25.273 4.087 -28.744 1.00 0.00 H new ATOM 0 HB2 GLU A 3 23.768 4.526 -30.601 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.341 5.228 -30.927 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.846 3.690 -32.612 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.872 2.419 -31.899 1.00 0.00 H new ATOM 41 N SER A 4 23.428 2.263 -29.013 1.00 0.00 N ATOM 42 CA SER A 4 22.614 1.082 -28.787 1.00 0.00 C ATOM 43 C SER A 4 21.318 1.467 -28.073 1.00 0.00 C ATOM 44 O SER A 4 21.176 2.596 -27.604 1.00 0.00 O ATOM 45 CB SER A 4 23.378 0.035 -27.974 1.00 0.00 C ATOM 46 OG SER A 4 23.862 -1.027 -28.793 1.00 0.00 O ATOM 0 H SER A 4 22.965 3.147 -28.801 1.00 0.00 H new ATOM 0 HA SER A 4 22.370 0.645 -29.755 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.216 0.512 -27.465 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.725 -0.371 -27.201 1.00 0.00 H new ATOM 0 HG SER A 4 24.524 -0.677 -29.425 1.00 0.00 H new ATOM 52 N SER A 5 20.406 0.507 -28.010 1.00 0.00 N ATOM 53 CA SER A 5 19.126 0.733 -27.360 1.00 0.00 C ATOM 54 C SER A 5 18.224 -0.489 -27.543 1.00 0.00 C ATOM 55 O SER A 5 18.526 -1.372 -28.344 1.00 0.00 O ATOM 56 CB SER A 5 18.442 1.986 -27.909 1.00 0.00 C ATOM 57 OG SER A 5 18.018 2.863 -26.870 1.00 0.00 O ATOM 0 H SER A 5 20.528 -0.428 -28.398 1.00 0.00 H new ATOM 0 HA SER A 5 19.305 0.888 -26.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.129 2.514 -28.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.581 1.695 -28.511 1.00 0.00 H new ATOM 0 HG SER A 5 17.588 3.651 -27.262 1.00 0.00 H new ATOM 63 N LYS A 6 17.137 -0.500 -26.788 1.00 0.00 N ATOM 64 CA LYS A 6 16.188 -1.599 -26.856 1.00 0.00 C ATOM 65 C LYS A 6 14.939 -1.239 -26.049 1.00 0.00 C ATOM 66 O LYS A 6 14.867 -0.166 -25.454 1.00 0.00 O ATOM 67 CB LYS A 6 16.850 -2.906 -26.417 1.00 0.00 C ATOM 68 CG LYS A 6 17.232 -2.856 -24.936 1.00 0.00 C ATOM 69 CD LYS A 6 18.737 -3.055 -24.751 1.00 0.00 C ATOM 70 CE LYS A 6 19.041 -3.727 -23.410 1.00 0.00 C ATOM 71 NZ LYS A 6 19.464 -5.130 -23.618 1.00 0.00 N ATOM 0 H LYS A 6 16.891 0.235 -26.125 1.00 0.00 H new ATOM 0 HA LYS A 6 15.866 -1.762 -27.885 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.170 -3.739 -26.593 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.740 -3.088 -27.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.934 -1.897 -24.512 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.690 -3.628 -24.391 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.129 -3.665 -25.565 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.244 -2.091 -24.802 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.826 -3.177 -22.891 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.157 -3.698 -22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.666 -5.572 -22.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.703 -5.655 -24.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.320 -5.151 -24.208 1.00 0.00 H new ATOM 85 N ALA A 7 13.985 -2.159 -26.055 1.00 0.00 N ATOM 86 CA ALA A 7 12.742 -1.955 -25.332 1.00 0.00 C ATOM 87 C ALA A 7 12.727 -2.848 -24.090 1.00 0.00 C ATOM 88 O ALA A 7 13.109 -4.014 -24.157 1.00 0.00 O ATOM 89 CB ALA A 7 11.559 -2.227 -26.262 1.00 0.00 C ATOM 0 H ALA A 7 14.049 -3.049 -26.550 1.00 0.00 H new ATOM 0 HA ALA A 7 12.659 -0.922 -24.995 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.626 -2.074 -25.719 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.600 -1.546 -27.112 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.606 -3.256 -26.619 1.00 0.00 H new ATOM 95 N VAL A 8 12.280 -2.265 -22.987 1.00 0.00 N ATOM 96 CA VAL A 8 12.209 -2.995 -21.732 1.00 0.00 C ATOM 97 C VAL A 8 11.846 -4.454 -22.014 1.00 0.00 C ATOM 98 O VAL A 8 12.596 -5.363 -21.664 1.00 0.00 O ATOM 99 CB VAL A 8 11.226 -2.307 -20.782 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.286 -1.374 -21.546 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.437 -3.336 -19.972 1.00 0.00 C ATOM 0 H VAL A 8 11.964 -1.297 -22.936 1.00 0.00 H new ATOM 0 HA VAL A 8 13.178 -2.993 -21.234 1.00 0.00 H new ATOM 0 HB VAL A 8 11.804 -1.701 -20.084 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.598 -0.898 -20.847 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.870 -0.609 -22.058 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.719 -1.949 -22.278 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.746 -2.821 -19.305 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.876 -3.980 -20.649 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.126 -3.942 -19.383 1.00 0.00 H new ATOM 111 N LYS A 9 10.694 -4.633 -22.645 1.00 0.00 N ATOM 112 CA LYS A 9 10.222 -5.965 -22.979 1.00 0.00 C ATOM 113 C LYS A 9 9.745 -6.667 -21.705 1.00 0.00 C ATOM 114 O LYS A 9 8.598 -7.105 -21.626 1.00 0.00 O ATOM 115 CB LYS A 9 11.299 -6.740 -23.741 1.00 0.00 C ATOM 116 CG LYS A 9 11.306 -6.359 -25.223 1.00 0.00 C ATOM 117 CD LYS A 9 10.467 -7.340 -26.043 1.00 0.00 C ATOM 118 CE LYS A 9 10.452 -6.945 -27.522 1.00 0.00 C ATOM 119 NZ LYS A 9 10.930 -8.066 -28.362 1.00 0.00 N ATOM 0 H LYS A 9 10.074 -3.876 -22.934 1.00 0.00 H new ATOM 0 HA LYS A 9 9.366 -5.908 -23.652 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.277 -6.535 -23.305 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.123 -7.811 -23.638 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.914 -5.349 -25.345 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.330 -6.351 -25.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.870 -8.347 -25.936 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.447 -7.362 -25.658 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.442 -6.665 -27.820 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.084 -6.071 -27.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.914 -7.782 -29.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.902 -8.315 -28.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.311 -8.890 -28.226 1.00 0.00 H new ATOM 133 N TYR A 10 10.649 -6.750 -20.741 1.00 0.00 N ATOM 134 CA TYR A 10 10.335 -7.391 -19.474 1.00 0.00 C ATOM 135 C TYR A 10 10.854 -6.564 -18.297 1.00 0.00 C ATOM 136 O TYR A 10 12.058 -6.343 -18.172 1.00 0.00 O ATOM 137 CB TYR A 10 11.059 -8.739 -19.493 1.00 0.00 C ATOM 138 CG TYR A 10 12.062 -8.891 -20.637 1.00 0.00 C ATOM 139 CD1 TYR A 10 11.646 -9.367 -21.863 1.00 0.00 C ATOM 140 CD2 TYR A 10 13.386 -8.552 -20.443 1.00 0.00 C ATOM 141 CE1 TYR A 10 12.590 -9.509 -22.941 1.00 0.00 C ATOM 142 CE2 TYR A 10 14.332 -8.695 -21.519 1.00 0.00 C ATOM 143 CZ TYR A 10 13.887 -9.167 -22.715 1.00 0.00 C ATOM 144 OH TYR A 10 14.781 -9.301 -23.732 1.00 0.00 O ATOM 0 H TYR A 10 11.599 -6.385 -20.811 1.00 0.00 H new ATOM 0 HA TYR A 10 9.257 -7.497 -19.354 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.581 -8.873 -18.546 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.319 -9.536 -19.564 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.610 -9.634 -22.015 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.713 -8.179 -19.483 1.00 0.00 H new ATOM 0 HE1 TYR A 10 12.276 -9.878 -23.906 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.371 -8.434 -21.380 1.00 0.00 H new ATOM 0 HH TYR A 10 15.668 -9.018 -23.427 1.00 0.00 H new ATOM 154 N TYR A 11 9.921 -6.127 -17.465 1.00 0.00 N ATOM 155 CA TYR A 11 10.269 -5.328 -16.302 1.00 0.00 C ATOM 156 C TYR A 11 9.750 -5.974 -15.017 1.00 0.00 C ATOM 157 O TYR A 11 8.902 -6.865 -15.063 1.00 0.00 O ATOM 158 CB TYR A 11 9.577 -3.977 -16.496 1.00 0.00 C ATOM 159 CG TYR A 11 10.526 -2.842 -16.884 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.742 -3.128 -17.469 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.164 -1.530 -16.650 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.636 -2.059 -17.835 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.058 -0.462 -17.015 1.00 0.00 C ATOM 164 CZ TYR A 11 12.248 -0.779 -17.590 1.00 0.00 C ATOM 165 OH TYR A 11 13.093 0.231 -17.934 1.00 0.00 O ATOM 0 H TYR A 11 8.924 -6.311 -17.573 1.00 0.00 H new ATOM 0 HA TYR A 11 11.351 -5.234 -16.211 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.814 -4.079 -17.268 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.063 -3.708 -15.573 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.024 -4.154 -17.653 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.211 -1.305 -16.194 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.591 -2.269 -18.293 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.789 0.568 -16.836 1.00 0.00 H new ATOM 0 HH TYR A 11 12.686 1.092 -17.702 1.00 0.00 H new ATOM 175 N THR A 12 10.276 -5.500 -13.898 1.00 0.00 N ATOM 176 CA THR A 12 9.877 -6.021 -12.602 1.00 0.00 C ATOM 177 C THR A 12 8.989 -5.010 -11.872 1.00 0.00 C ATOM 178 O THR A 12 9.071 -3.810 -12.126 1.00 0.00 O ATOM 179 CB THR A 12 11.145 -6.385 -11.827 1.00 0.00 C ATOM 180 OG1 THR A 12 11.802 -5.137 -11.627 1.00 0.00 O ATOM 181 CG2 THR A 12 12.132 -7.195 -12.669 1.00 0.00 C ATOM 0 H THR A 12 10.976 -4.759 -13.862 1.00 0.00 H new ATOM 0 HA THR A 12 9.273 -6.922 -12.707 1.00 0.00 H new ATOM 0 HB THR A 12 10.875 -6.953 -10.937 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.634 -5.281 -11.130 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.014 -7.427 -12.072 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.659 -8.122 -12.993 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.428 -6.614 -13.543 1.00 0.00 H new ATOM 189 N LEU A 13 8.160 -5.534 -10.981 1.00 0.00 N ATOM 190 CA LEU A 13 7.258 -4.694 -10.214 1.00 0.00 C ATOM 191 C LEU A 13 8.012 -3.455 -9.726 1.00 0.00 C ATOM 192 O LEU A 13 7.464 -2.355 -9.714 1.00 0.00 O ATOM 193 CB LEU A 13 6.604 -5.498 -9.088 1.00 0.00 C ATOM 194 CG LEU A 13 5.157 -5.933 -9.327 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.527 -6.474 -8.041 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.336 -4.792 -9.931 1.00 0.00 C ATOM 0 H LEU A 13 8.095 -6.531 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 13 6.439 -4.343 -10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.205 -6.389 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.637 -4.902 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 13 5.160 -6.748 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.499 -6.776 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.097 -7.335 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.536 -5.697 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.311 -5.127 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.338 -3.942 -9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.774 -4.494 -10.884 1.00 0.00 H new ATOM 208 N GLU A 14 9.259 -3.675 -9.337 1.00 0.00 N ATOM 209 CA GLU A 14 10.094 -2.590 -8.850 1.00 0.00 C ATOM 210 C GLU A 14 10.441 -1.634 -9.993 1.00 0.00 C ATOM 211 O GLU A 14 10.179 -0.435 -9.904 1.00 0.00 O ATOM 212 CB GLU A 14 11.362 -3.131 -8.185 1.00 0.00 C ATOM 213 CG GLU A 14 11.480 -2.630 -6.744 1.00 0.00 C ATOM 214 CD GLU A 14 10.988 -3.688 -5.753 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.974 -4.342 -6.079 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.637 -3.817 -4.692 1.00 0.00 O ATOM 0 H GLU A 14 9.712 -4.589 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 14 9.534 -2.037 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.346 -4.221 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.237 -2.820 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.518 -2.378 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.898 -1.716 -6.624 1.00 0.00 H new ATOM 223 N GLU A 15 11.023 -2.199 -11.040 1.00 0.00 N ATOM 224 CA GLU A 15 11.408 -1.410 -12.198 1.00 0.00 C ATOM 225 C GLU A 15 10.285 -0.445 -12.580 1.00 0.00 C ATOM 226 O GLU A 15 10.546 0.670 -13.028 1.00 0.00 O ATOM 227 CB GLU A 15 11.779 -2.314 -13.378 1.00 0.00 C ATOM 228 CG GLU A 15 12.355 -1.495 -14.534 1.00 0.00 C ATOM 229 CD GLU A 15 13.756 -0.980 -14.197 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.675 -1.825 -14.150 1.00 0.00 O ATOM 231 OE2 GLU A 15 13.874 0.248 -13.995 1.00 0.00 O ATOM 0 H GLU A 15 11.237 -3.194 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 15 12.290 -0.825 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.508 -3.058 -13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.897 -2.857 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.396 -2.109 -15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.697 -0.654 -14.752 1.00 0.00 H new ATOM 238 N ILE A 16 9.058 -0.908 -12.387 1.00 0.00 N ATOM 239 CA ILE A 16 7.894 -0.098 -12.705 1.00 0.00 C ATOM 240 C ILE A 16 7.579 0.821 -11.524 1.00 0.00 C ATOM 241 O ILE A 16 7.182 1.970 -11.715 1.00 0.00 O ATOM 242 CB ILE A 16 6.721 -0.989 -13.121 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.192 -2.131 -14.024 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.612 -0.161 -13.776 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.616 -3.470 -13.558 1.00 0.00 C ATOM 0 H ILE A 16 8.845 -1.833 -12.015 1.00 0.00 H new ATOM 0 HA ILE A 16 8.098 0.544 -13.562 1.00 0.00 H new ATOM 0 HB ILE A 16 6.300 -1.442 -12.223 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.886 -1.937 -15.052 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.281 -2.178 -14.019 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.790 -0.816 -14.063 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.251 0.587 -13.070 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.005 0.337 -14.662 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.966 -4.265 -14.216 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.944 -3.672 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.527 -3.428 -13.587 1.00 0.00 H new ATOM 257 N GLN A 17 7.770 0.282 -10.329 1.00 0.00 N ATOM 258 CA GLN A 17 7.511 1.041 -9.116 1.00 0.00 C ATOM 259 C GLN A 17 8.436 2.257 -9.044 1.00 0.00 C ATOM 260 O GLN A 17 8.177 3.195 -8.291 1.00 0.00 O ATOM 261 CB GLN A 17 7.667 0.160 -7.875 1.00 0.00 C ATOM 262 CG GLN A 17 6.637 0.531 -6.806 1.00 0.00 C ATOM 263 CD GLN A 17 7.322 1.056 -5.543 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.391 0.614 -5.158 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.647 2.019 -4.923 1.00 0.00 N ATOM 0 H GLN A 17 8.101 -0.670 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 17 6.480 1.394 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.548 -0.888 -8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.673 0.271 -7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.958 1.289 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.032 -0.342 -6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.756 2.342 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.020 2.435 -4.069 1.00 0.00 H new ATOM 274 N LYS A 18 9.495 2.205 -9.839 1.00 0.00 N ATOM 275 CA LYS A 18 10.458 3.291 -9.875 1.00 0.00 C ATOM 276 C LYS A 18 9.975 4.364 -10.854 1.00 0.00 C ATOM 277 O LYS A 18 10.316 5.538 -10.710 1.00 0.00 O ATOM 278 CB LYS A 18 11.857 2.756 -10.190 1.00 0.00 C ATOM 279 CG LYS A 18 12.308 1.745 -9.134 1.00 0.00 C ATOM 280 CD LYS A 18 13.668 1.144 -9.497 1.00 0.00 C ATOM 281 CE LYS A 18 14.768 1.685 -8.581 1.00 0.00 C ATOM 282 NZ LYS A 18 16.043 0.975 -8.828 1.00 0.00 N ATOM 0 H LYS A 18 9.707 1.427 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 18 10.535 3.764 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.857 2.285 -11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.566 3.583 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.370 2.233 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.567 0.951 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.623 0.058 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.907 1.376 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.900 2.753 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.474 1.564 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.779 1.354 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.917 -0.040 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.330 1.112 -9.818 1.00 0.00 H new ATOM 296 N HIS A 19 9.190 3.923 -11.825 1.00 0.00 N ATOM 297 CA HIS A 19 8.658 4.831 -12.826 1.00 0.00 C ATOM 298 C HIS A 19 7.308 5.378 -12.357 1.00 0.00 C ATOM 299 O HIS A 19 6.260 4.840 -12.706 1.00 0.00 O ATOM 300 CB HIS A 19 8.575 4.145 -14.193 1.00 0.00 C ATOM 301 CG HIS A 19 9.917 3.918 -14.847 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.146 4.164 -16.191 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.095 3.468 -14.331 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.410 3.870 -16.459 1.00 0.00 C ATOM 305 NE2 HIS A 19 11.996 3.437 -15.305 1.00 0.00 N ATOM 0 H HIS A 19 8.910 2.949 -11.940 1.00 0.00 H new ATOM 0 HA HIS A 19 9.333 5.678 -12.948 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.072 3.185 -14.077 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.957 4.751 -14.856 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.459 4.512 -16.860 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.267 3.184 -13.303 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.892 3.958 -17.422 1.00 0.00 H new ATOM 314 N ASN A 20 7.381 6.442 -11.571 1.00 0.00 N ATOM 315 CA ASN A 20 6.178 7.071 -11.049 1.00 0.00 C ATOM 316 C ASN A 20 6.253 8.581 -11.284 1.00 0.00 C ATOM 317 O ASN A 20 5.446 9.337 -10.745 1.00 0.00 O ATOM 318 CB ASN A 20 6.042 6.832 -9.544 1.00 0.00 C ATOM 319 CG ASN A 20 5.774 5.356 -9.245 1.00 0.00 C ATOM 320 OD1 ASN A 20 6.712 4.532 -9.702 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.781 4.989 -8.638 1.00 0.00 N flip ATOM 0 H ASN A 20 8.253 6.885 -11.283 1.00 0.00 H new ATOM 0 HA ASN A 20 5.320 6.637 -11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.954 7.149 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.229 7.440 -9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.099 5.675 -8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.633 3.997 -8.454 1.00 0.00 H new ATOM 328 N ASN A 21 7.228 8.974 -12.089 1.00 0.00 N ATOM 329 CA ASN A 21 7.418 10.381 -12.403 1.00 0.00 C ATOM 330 C ASN A 21 6.902 10.659 -13.815 1.00 0.00 C ATOM 331 O ASN A 21 6.866 9.761 -14.655 1.00 0.00 O ATOM 332 CB ASN A 21 8.901 10.758 -12.358 1.00 0.00 C ATOM 333 CG ASN A 21 9.328 11.135 -10.937 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.777 12.023 -10.310 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.339 10.409 -10.467 1.00 0.00 N ATOM 0 H ASN A 21 7.895 8.344 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 21 6.873 10.969 -11.664 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.503 9.922 -12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.088 11.594 -13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.698 10.582 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.755 9.680 -11.046 1.00 0.00 H new ATOM 342 N SER A 22 6.514 11.907 -14.034 1.00 0.00 N ATOM 343 CA SER A 22 6.001 12.314 -15.331 1.00 0.00 C ATOM 344 C SER A 22 7.055 12.068 -16.412 1.00 0.00 C ATOM 345 O SER A 22 6.735 12.030 -17.599 1.00 0.00 O ATOM 346 CB SER A 22 5.586 13.788 -15.320 1.00 0.00 C ATOM 347 OG SER A 22 6.556 14.610 -14.678 1.00 0.00 O ATOM 0 H SER A 22 6.545 12.649 -13.335 1.00 0.00 H new ATOM 0 HA SER A 22 5.117 11.716 -15.552 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.440 14.131 -16.344 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.628 13.891 -14.810 1.00 0.00 H new ATOM 0 HG SER A 22 6.256 15.543 -14.693 1.00 0.00 H new ATOM 353 N LYS A 23 8.291 11.905 -15.963 1.00 0.00 N ATOM 354 CA LYS A 23 9.394 11.662 -16.877 1.00 0.00 C ATOM 355 C LYS A 23 9.600 10.154 -17.033 1.00 0.00 C ATOM 356 O LYS A 23 10.241 9.707 -17.982 1.00 0.00 O ATOM 357 CB LYS A 23 10.647 12.410 -16.414 1.00 0.00 C ATOM 358 CG LYS A 23 11.782 12.255 -17.429 1.00 0.00 C ATOM 359 CD LYS A 23 13.025 11.650 -16.774 1.00 0.00 C ATOM 360 CE LYS A 23 14.302 12.149 -17.454 1.00 0.00 C ATOM 361 NZ LYS A 23 15.287 12.592 -16.444 1.00 0.00 N ATOM 0 H LYS A 23 8.553 11.937 -14.978 1.00 0.00 H new ATOM 0 HA LYS A 23 9.163 12.056 -17.867 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.416 13.467 -16.280 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.966 12.028 -15.444 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.454 11.620 -18.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.028 13.227 -17.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.046 11.911 -15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.979 10.563 -16.833 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.731 11.354 -18.064 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.065 12.974 -18.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.148 12.927 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.881 13.365 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.526 11.795 -15.820 1.00 0.00 H new ATOM 375 N SER A 24 9.042 9.413 -16.087 1.00 0.00 N ATOM 376 CA SER A 24 9.156 7.965 -16.107 1.00 0.00 C ATOM 377 C SER A 24 7.888 7.331 -15.532 1.00 0.00 C ATOM 378 O SER A 24 7.912 6.763 -14.441 1.00 0.00 O ATOM 379 CB SER A 24 10.385 7.497 -15.325 1.00 0.00 C ATOM 380 OG SER A 24 11.394 6.968 -16.181 1.00 0.00 O ATOM 0 H SER A 24 8.510 9.788 -15.302 1.00 0.00 H new ATOM 0 HA SER A 24 9.276 7.647 -17.143 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.793 8.333 -14.757 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.087 6.737 -14.603 1.00 0.00 H new ATOM 0 HG SER A 24 12.162 6.682 -15.644 1.00 0.00 H new ATOM 386 N THR A 25 6.808 7.451 -16.291 1.00 0.00 N ATOM 387 CA THR A 25 5.532 6.898 -15.870 1.00 0.00 C ATOM 388 C THR A 25 5.288 5.546 -16.545 1.00 0.00 C ATOM 389 O THR A 25 4.798 5.491 -17.672 1.00 0.00 O ATOM 390 CB THR A 25 4.446 7.932 -16.170 1.00 0.00 C ATOM 391 OG1 THR A 25 5.110 9.185 -16.025 1.00 0.00 O ATOM 392 CG2 THR A 25 3.355 7.962 -15.097 1.00 0.00 C ATOM 0 H THR A 25 6.791 7.923 -17.195 1.00 0.00 H new ATOM 0 HA THR A 25 5.522 6.697 -14.799 1.00 0.00 H new ATOM 0 HB THR A 25 3.997 7.716 -17.139 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.609 9.195 -15.182 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.609 8.713 -15.358 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.879 6.983 -15.035 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.799 8.211 -14.133 1.00 0.00 H new ATOM 400 N TRP A 26 5.640 4.489 -15.828 1.00 0.00 N ATOM 401 CA TRP A 26 5.464 3.142 -16.343 1.00 0.00 C ATOM 402 C TRP A 26 4.456 2.421 -15.448 1.00 0.00 C ATOM 403 O TRP A 26 4.450 2.615 -14.232 1.00 0.00 O ATOM 404 CB TRP A 26 6.807 2.415 -16.441 1.00 0.00 C ATOM 405 CG TRP A 26 7.437 2.456 -17.835 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.710 1.427 -18.648 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.866 3.634 -18.550 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.280 1.853 -19.831 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.379 3.238 -19.768 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.823 4.989 -18.179 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.886 4.136 -20.714 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.334 5.874 -19.136 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.853 5.491 -20.367 1.00 0.00 C ATOM 0 H TRP A 26 6.047 4.538 -14.894 1.00 0.00 H new ATOM 0 HA TRP A 26 5.070 3.165 -17.359 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.501 2.858 -15.727 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.668 1.375 -16.147 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.509 0.393 -18.408 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.574 1.261 -20.608 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.427 5.321 -17.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.282 3.801 -21.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.324 6.928 -18.901 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.229 6.236 -21.053 1.00 0.00 H new ATOM 424 N LEU A 27 3.629 1.603 -16.082 1.00 0.00 N ATOM 425 CA LEU A 27 2.619 0.852 -15.357 1.00 0.00 C ATOM 426 C LEU A 27 2.408 -0.502 -16.039 1.00 0.00 C ATOM 427 O LEU A 27 2.926 -0.737 -17.131 1.00 0.00 O ATOM 428 CB LEU A 27 1.337 1.674 -15.217 1.00 0.00 C ATOM 429 CG LEU A 27 0.310 1.515 -16.338 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.981 1.592 -17.711 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.495 0.225 -16.166 1.00 0.00 C ATOM 0 H LEU A 27 3.638 1.444 -17.089 1.00 0.00 H new ATOM 0 HA LEU A 27 2.954 0.649 -14.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.860 1.407 -14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.610 2.727 -15.149 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.394 2.345 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.228 1.476 -18.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.473 2.558 -17.822 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.721 0.796 -17.800 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.218 0.137 -16.977 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.180 -0.631 -16.187 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.021 0.249 -15.212 1.00 0.00 H new ATOM 443 N ILE A 28 1.647 -1.354 -15.371 1.00 0.00 N ATOM 444 CA ILE A 28 1.362 -2.678 -15.900 1.00 0.00 C ATOM 445 C ILE A 28 -0.149 -2.837 -16.073 1.00 0.00 C ATOM 446 O ILE A 28 -0.907 -2.697 -15.114 1.00 0.00 O ATOM 447 CB ILE A 28 1.998 -3.755 -15.018 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.226 -3.211 -14.287 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.324 -5.008 -15.834 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.370 -3.853 -12.905 1.00 0.00 C ATOM 0 H ILE A 28 1.218 -1.154 -14.467 1.00 0.00 H new ATOM 0 HA ILE A 28 1.811 -2.801 -16.886 1.00 0.00 H new ATOM 0 HB ILE A 28 1.274 -4.045 -14.257 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.121 -3.406 -14.878 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.142 -2.129 -14.183 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.775 -5.758 -15.184 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.408 -5.408 -16.269 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.022 -4.752 -16.631 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.251 -3.449 -12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.484 -3.636 -12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.478 -4.932 -13.015 1.00 0.00 H new ATOM 462 N LEU A 29 -0.543 -3.130 -17.304 1.00 0.00 N ATOM 463 CA LEU A 29 -1.952 -3.311 -17.615 1.00 0.00 C ATOM 464 C LEU A 29 -2.164 -4.709 -18.201 1.00 0.00 C ATOM 465 O LEU A 29 -1.459 -5.114 -19.122 1.00 0.00 O ATOM 466 CB LEU A 29 -2.448 -2.184 -18.522 1.00 0.00 C ATOM 467 CG LEU A 29 -3.653 -1.393 -18.010 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.537 -0.927 -19.170 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.443 -2.203 -16.979 1.00 0.00 C ATOM 0 H LEU A 29 0.088 -3.247 -18.097 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.554 -3.249 -16.708 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.625 -1.488 -18.687 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.704 -2.611 -19.492 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.285 -0.500 -17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.386 -0.367 -18.778 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.957 -0.288 -19.835 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.898 -1.794 -19.723 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.294 -1.618 -16.631 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.800 -3.126 -17.437 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.798 -2.443 -16.134 1.00 0.00 H new ATOM 481 N HIS A 30 -3.141 -5.408 -17.640 1.00 0.00 N ATOM 482 CA HIS A 30 -3.456 -6.752 -18.093 1.00 0.00 C ATOM 483 C HIS A 30 -2.314 -7.699 -17.722 1.00 0.00 C ATOM 484 O HIS A 30 -2.543 -8.747 -17.120 1.00 0.00 O ATOM 485 CB HIS A 30 -3.770 -6.759 -19.591 1.00 0.00 C ATOM 486 CG HIS A 30 -4.339 -8.066 -20.092 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.589 -8.985 -20.806 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.589 -8.597 -19.975 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.364 -10.018 -21.099 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.604 -9.776 -20.585 1.00 0.00 N ATOM 0 H HIS A 30 -3.725 -5.068 -16.876 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.355 -7.109 -17.590 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.478 -5.959 -19.807 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.858 -6.535 -20.144 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.426 -8.136 -19.471 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.066 -10.898 -21.649 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.409 -10.398 -20.657 1.00 0.00 H new ATOM 499 N TYR A 31 -1.108 -7.297 -18.097 1.00 0.00 N ATOM 500 CA TYR A 31 0.070 -8.098 -17.810 1.00 0.00 C ATOM 501 C TYR A 31 1.319 -7.482 -18.444 1.00 0.00 C ATOM 502 O TYR A 31 2.440 -7.865 -18.115 1.00 0.00 O ATOM 503 CB TYR A 31 -0.185 -9.466 -18.442 1.00 0.00 C ATOM 504 CG TYR A 31 0.111 -10.647 -17.514 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.027 -10.505 -16.492 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.538 -11.850 -17.700 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.307 -11.616 -15.619 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.258 -12.960 -16.827 1.00 0.00 C ATOM 509 CZ TYR A 31 0.650 -12.788 -15.829 1.00 0.00 C ATOM 510 OH TYR A 31 0.915 -13.837 -15.005 1.00 0.00 O ATOM 0 H TYR A 31 -0.922 -6.428 -18.597 1.00 0.00 H new ATOM 0 HA TYR A 31 0.239 -8.160 -16.735 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.226 -9.519 -18.760 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.427 -9.560 -19.339 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.533 -9.562 -16.347 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.256 -11.959 -18.500 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.023 -11.520 -14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.758 -13.908 -16.962 1.00 0.00 H new ATOM 0 HH TYR A 31 0.372 -14.608 -15.272 1.00 0.00 H new ATOM 520 N LYS A 32 1.084 -6.536 -19.341 1.00 0.00 N ATOM 521 CA LYS A 32 2.174 -5.863 -20.025 1.00 0.00 C ATOM 522 C LYS A 32 2.396 -4.488 -19.392 1.00 0.00 C ATOM 523 O LYS A 32 1.508 -3.957 -18.728 1.00 0.00 O ATOM 524 CB LYS A 32 1.914 -5.812 -21.530 1.00 0.00 C ATOM 525 CG LYS A 32 1.514 -7.189 -22.065 1.00 0.00 C ATOM 526 CD LYS A 32 0.026 -7.232 -22.414 1.00 0.00 C ATOM 527 CE LYS A 32 -0.215 -8.034 -23.695 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.598 -7.828 -24.182 1.00 0.00 N ATOM 0 H LYS A 32 0.153 -6.219 -19.610 1.00 0.00 H new ATOM 0 HA LYS A 32 3.101 -6.423 -19.905 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.123 -5.092 -21.742 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.809 -5.464 -22.046 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.105 -7.425 -22.950 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.738 -7.952 -21.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.531 -7.679 -21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.351 -6.217 -22.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.496 -7.728 -24.462 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.044 -9.094 -23.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.745 -8.379 -25.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.272 -8.142 -23.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.749 -6.819 -24.382 1.00 0.00 H new ATOM 542 N VAL A 33 3.586 -3.951 -19.621 1.00 0.00 N ATOM 543 CA VAL A 33 3.934 -2.648 -19.081 1.00 0.00 C ATOM 544 C VAL A 33 3.836 -1.599 -20.191 1.00 0.00 C ATOM 545 O VAL A 33 4.365 -1.794 -21.284 1.00 0.00 O ATOM 546 CB VAL A 33 5.319 -2.703 -18.433 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.343 -3.706 -17.278 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.396 -3.033 -19.468 1.00 0.00 C ATOM 0 H VAL A 33 4.320 -4.394 -20.173 1.00 0.00 H new ATOM 0 HA VAL A 33 3.234 -2.360 -18.297 1.00 0.00 H new ATOM 0 HB VAL A 33 5.538 -1.716 -18.025 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.338 -3.726 -16.834 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.615 -3.409 -16.523 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.093 -4.698 -17.653 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.371 -3.066 -18.981 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.183 -4.002 -19.919 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.403 -2.266 -20.243 1.00 0.00 H new ATOM 558 N TYR A 34 3.156 -0.507 -19.870 1.00 0.00 N ATOM 559 CA TYR A 34 2.980 0.573 -20.827 1.00 0.00 C ATOM 560 C TYR A 34 3.670 1.850 -20.342 1.00 0.00 C ATOM 561 O TYR A 34 3.809 2.067 -19.139 1.00 0.00 O ATOM 562 CB TYR A 34 1.473 0.822 -20.910 1.00 0.00 C ATOM 563 CG TYR A 34 0.652 -0.430 -21.228 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.607 -1.472 -20.325 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.043 -0.516 -22.417 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.165 -2.650 -20.623 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.814 -1.694 -22.716 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.839 -2.702 -21.804 1.00 0.00 C ATOM 569 OH TYR A 34 -1.569 -3.815 -22.086 1.00 0.00 O ATOM 0 H TYR A 34 2.721 -0.347 -18.961 1.00 0.00 H new ATOM 0 HA TYR A 34 3.413 0.307 -21.791 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.131 1.237 -19.962 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.281 1.574 -21.675 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.151 -1.404 -19.394 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.008 0.300 -23.123 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.208 -3.473 -19.925 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.360 -1.775 -23.644 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.651 -4.366 -21.279 1.00 0.00 H new ATOM 579 N ASP A 35 4.084 2.662 -21.305 1.00 0.00 N ATOM 580 CA ASP A 35 4.758 3.911 -20.992 1.00 0.00 C ATOM 581 C ASP A 35 3.714 5.015 -20.811 1.00 0.00 C ATOM 582 O ASP A 35 3.379 5.718 -21.765 1.00 0.00 O ATOM 583 CB ASP A 35 5.698 4.329 -22.124 1.00 0.00 C ATOM 584 CG ASP A 35 6.105 5.803 -22.115 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.785 6.475 -21.111 1.00 0.00 O ATOM 586 OD2 ASP A 35 6.727 6.226 -23.113 1.00 0.00 O ATOM 0 H ASP A 35 3.966 2.479 -22.301 1.00 0.00 H new ATOM 0 HA ASP A 35 5.337 3.764 -20.080 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.599 3.718 -22.072 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.217 4.106 -23.076 1.00 0.00 H new ATOM 591 N LEU A 36 3.227 5.132 -19.585 1.00 0.00 N ATOM 592 CA LEU A 36 2.229 6.139 -19.268 1.00 0.00 C ATOM 593 C LEU A 36 2.756 7.519 -19.672 1.00 0.00 C ATOM 594 O LEU A 36 1.989 8.375 -20.111 1.00 0.00 O ATOM 595 CB LEU A 36 1.818 6.043 -17.798 1.00 0.00 C ATOM 596 CG LEU A 36 0.882 4.888 -17.437 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.166 5.156 -16.113 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.102 4.605 -18.573 1.00 0.00 C ATOM 0 H LEU A 36 3.505 4.545 -18.798 1.00 0.00 H new ATOM 0 HA LEU A 36 1.318 5.965 -19.841 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.721 5.955 -17.194 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.335 6.978 -17.515 1.00 0.00 H new ATOM 0 HG LEU A 36 1.484 3.990 -17.301 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.493 4.320 -15.880 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.903 5.270 -15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.423 6.070 -16.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.756 3.780 -18.291 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.702 5.494 -18.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.450 4.339 -19.475 1.00 0.00 H new ATOM 610 N THR A 37 4.059 7.689 -19.507 1.00 0.00 N ATOM 611 CA THR A 37 4.696 8.950 -19.847 1.00 0.00 C ATOM 612 C THR A 37 4.401 9.321 -21.303 1.00 0.00 C ATOM 613 O THR A 37 4.575 10.472 -21.701 1.00 0.00 O ATOM 614 CB THR A 37 6.191 8.820 -19.545 1.00 0.00 C ATOM 615 OG1 THR A 37 6.357 9.514 -18.312 1.00 0.00 O ATOM 616 CG2 THR A 37 7.058 9.603 -20.534 1.00 0.00 C ATOM 0 H THR A 37 4.691 6.976 -19.143 1.00 0.00 H new ATOM 0 HA THR A 37 4.298 9.769 -19.248 1.00 0.00 H new ATOM 0 HB THR A 37 6.476 7.768 -19.566 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.551 9.407 -17.765 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.109 9.477 -20.275 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.886 9.230 -21.544 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.797 10.660 -20.489 1.00 0.00 H new ATOM 624 N LYS A 38 3.959 8.324 -22.056 1.00 0.00 N ATOM 625 CA LYS A 38 3.638 8.532 -23.458 1.00 0.00 C ATOM 626 C LYS A 38 2.137 8.796 -23.599 1.00 0.00 C ATOM 627 O LYS A 38 1.709 9.485 -24.524 1.00 0.00 O ATOM 628 CB LYS A 38 4.136 7.357 -24.302 1.00 0.00 C ATOM 629 CG LYS A 38 5.324 7.774 -25.172 1.00 0.00 C ATOM 630 CD LYS A 38 4.847 8.403 -26.484 1.00 0.00 C ATOM 631 CE LYS A 38 5.437 7.670 -27.689 1.00 0.00 C ATOM 632 NZ LYS A 38 5.206 8.443 -28.930 1.00 0.00 N ATOM 0 H LYS A 38 3.816 7.371 -21.722 1.00 0.00 H new ATOM 0 HA LYS A 38 4.155 9.412 -23.840 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.429 6.534 -23.650 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.328 6.990 -24.935 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.946 8.485 -24.628 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.946 6.905 -25.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.759 8.372 -26.532 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.137 9.453 -26.515 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.506 7.518 -27.542 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.984 6.683 -27.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.613 7.931 -29.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.184 8.566 -29.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.659 9.376 -28.847 1.00 0.00 H new ATOM 646 N PHE A 39 1.380 8.237 -22.666 1.00 0.00 N ATOM 647 CA PHE A 39 -0.063 8.404 -22.675 1.00 0.00 C ATOM 648 C PHE A 39 -0.494 9.511 -21.711 1.00 0.00 C ATOM 649 O PHE A 39 -1.643 9.545 -21.272 1.00 0.00 O ATOM 650 CB PHE A 39 -0.670 7.077 -22.213 1.00 0.00 C ATOM 651 CG PHE A 39 -2.191 7.003 -22.361 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.826 7.799 -23.262 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.908 6.140 -21.592 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.237 7.730 -23.400 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.320 6.072 -21.729 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.954 6.868 -22.630 1.00 0.00 C ATOM 0 H PHE A 39 1.739 7.668 -21.899 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.399 8.679 -23.675 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.220 6.265 -22.784 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.409 6.914 -21.167 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.257 8.484 -23.873 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.404 5.507 -20.877 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.741 8.362 -24.116 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.890 5.388 -21.117 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.028 6.816 -22.735 1.00 0.00 H new ATOM 666 N LEU A 40 0.452 10.388 -21.409 1.00 0.00 N ATOM 667 CA LEU A 40 0.186 11.495 -20.505 1.00 0.00 C ATOM 668 C LEU A 40 -0.323 12.693 -21.308 1.00 0.00 C ATOM 669 O LEU A 40 -0.144 13.840 -20.899 1.00 0.00 O ATOM 670 CB LEU A 40 1.421 11.802 -19.656 1.00 0.00 C ATOM 671 CG LEU A 40 1.319 11.450 -18.170 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.392 9.937 -17.958 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.378 12.196 -17.357 1.00 0.00 C ATOM 0 H LEU A 40 1.404 10.355 -21.774 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.600 11.229 -19.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.270 11.265 -20.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.641 12.866 -19.743 1.00 0.00 H new ATOM 0 HG LEU A 40 0.345 11.778 -17.807 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.317 9.715 -16.894 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.570 9.455 -18.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.341 9.561 -18.341 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.284 11.928 -16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.371 11.922 -17.714 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.235 13.270 -17.472 1.00 0.00 H new ATOM 685 N GLU A 41 -0.946 12.387 -22.437 1.00 0.00 N ATOM 686 CA GLU A 41 -1.482 13.426 -23.301 1.00 0.00 C ATOM 687 C GLU A 41 -3.010 13.444 -23.224 1.00 0.00 C ATOM 688 O GLU A 41 -3.609 14.487 -22.973 1.00 0.00 O ATOM 689 CB GLU A 41 -1.006 13.237 -24.742 1.00 0.00 C ATOM 690 CG GLU A 41 -1.576 11.950 -25.345 1.00 0.00 C ATOM 691 CD GLU A 41 -0.867 11.598 -26.653 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.376 11.473 -26.611 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.584 11.461 -27.668 1.00 0.00 O ATOM 0 H GLU A 41 -1.092 11.435 -22.773 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.110 14.390 -22.954 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.312 14.092 -25.345 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.083 13.203 -24.767 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.465 11.131 -24.635 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.644 12.071 -25.527 1.00 0.00 H new ATOM 700 N GLU A 42 -3.596 12.277 -23.446 1.00 0.00 N ATOM 701 CA GLU A 42 -5.042 12.146 -23.406 1.00 0.00 C ATOM 702 C GLU A 42 -5.508 11.849 -21.980 1.00 0.00 C ATOM 703 O GLU A 42 -4.878 12.281 -21.015 1.00 0.00 O ATOM 704 CB GLU A 42 -5.521 11.063 -24.375 1.00 0.00 C ATOM 705 CG GLU A 42 -6.806 11.494 -25.086 1.00 0.00 C ATOM 706 CD GLU A 42 -7.260 10.431 -26.088 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.368 9.846 -26.739 1.00 0.00 O ATOM 708 OE2 GLU A 42 -8.490 10.228 -26.181 1.00 0.00 O ATOM 0 H GLU A 42 -3.095 11.413 -23.654 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.482 13.092 -23.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.744 10.860 -25.112 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.696 10.135 -23.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.592 11.666 -24.351 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.641 12.439 -25.603 1.00 0.00 H new ATOM 715 N HIS A 43 -6.607 11.116 -21.890 1.00 0.00 N ATOM 716 CA HIS A 43 -7.166 10.756 -20.598 1.00 0.00 C ATOM 717 C HIS A 43 -8.045 11.898 -20.083 1.00 0.00 C ATOM 718 O HIS A 43 -7.569 13.017 -19.894 1.00 0.00 O ATOM 719 CB HIS A 43 -6.057 10.373 -19.615 1.00 0.00 C ATOM 720 CG HIS A 43 -6.280 9.048 -18.925 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.336 8.035 -18.925 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.344 8.583 -18.212 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.824 7.010 -18.242 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.069 7.351 -17.801 1.00 0.00 N ATOM 0 H HIS A 43 -7.127 10.761 -22.692 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.799 9.875 -20.704 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.108 10.338 -20.150 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.969 11.154 -18.860 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.421 8.072 -19.374 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.257 9.125 -18.015 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.324 6.069 -18.065 1.00 0.00 H new ATOM 733 N PRO A 44 -9.347 11.569 -19.866 1.00 0.00 N ATOM 734 CA PRO A 44 -10.296 12.552 -19.378 1.00 0.00 C ATOM 735 C PRO A 44 -10.082 12.829 -17.888 1.00 0.00 C ATOM 736 O PRO A 44 -10.818 13.609 -17.286 1.00 0.00 O ATOM 737 CB PRO A 44 -11.665 11.963 -19.682 1.00 0.00 C ATOM 738 CG PRO A 44 -11.438 10.476 -19.903 1.00 0.00 C ATOM 739 CD PRO A 44 -9.945 10.254 -20.078 1.00 0.00 C ATOM 0 HA PRO A 44 -10.179 13.523 -19.859 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.356 12.134 -18.857 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.103 12.427 -20.566 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.812 9.902 -19.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.981 10.134 -20.784 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.566 9.526 -19.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.716 9.870 -21.072 1.00 0.00 H new ATOM 747 N GLY A 45 -9.069 12.177 -17.338 1.00 0.00 N ATOM 748 CA GLY A 45 -8.749 12.342 -15.930 1.00 0.00 C ATOM 749 C GLY A 45 -7.554 13.280 -15.747 1.00 0.00 C ATOM 750 O GLY A 45 -7.599 14.197 -14.929 1.00 0.00 O ATOM 0 H GLY A 45 -8.459 11.533 -17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.614 12.742 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.525 11.371 -15.488 1.00 0.00 H new ATOM 754 N GLY A 46 -6.513 13.018 -16.523 1.00 0.00 N ATOM 755 CA GLY A 46 -5.308 13.826 -16.457 1.00 0.00 C ATOM 756 C GLY A 46 -4.065 12.946 -16.303 1.00 0.00 C ATOM 757 O GLY A 46 -4.154 11.821 -15.816 1.00 0.00 O ATOM 0 H GLY A 46 -6.479 12.257 -17.201 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.221 14.430 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.375 14.517 -15.617 1.00 0.00 H new ATOM 761 N GLU A 47 -2.935 13.495 -16.726 1.00 0.00 N ATOM 762 CA GLU A 47 -1.675 12.775 -16.640 1.00 0.00 C ATOM 763 C GLU A 47 -1.616 11.962 -15.344 1.00 0.00 C ATOM 764 O GLU A 47 -1.227 10.796 -15.356 1.00 0.00 O ATOM 765 CB GLU A 47 -0.489 13.733 -16.742 1.00 0.00 C ATOM 766 CG GLU A 47 -0.370 14.312 -18.154 1.00 0.00 C ATOM 767 CD GLU A 47 -0.493 15.837 -18.132 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.635 16.311 -17.948 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.556 16.493 -18.303 1.00 0.00 O ATOM 0 H GLU A 47 -2.866 14.429 -17.129 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.614 12.085 -17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.608 14.543 -16.022 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.430 13.208 -16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.588 14.027 -18.589 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.147 13.890 -18.791 1.00 0.00 H new ATOM 776 N GLU A 48 -2.006 12.612 -14.258 1.00 0.00 N ATOM 777 CA GLU A 48 -2.002 11.966 -12.957 1.00 0.00 C ATOM 778 C GLU A 48 -2.757 10.636 -13.022 1.00 0.00 C ATOM 779 O GLU A 48 -2.257 9.610 -12.563 1.00 0.00 O ATOM 780 CB GLU A 48 -2.597 12.882 -11.885 1.00 0.00 C ATOM 781 CG GLU A 48 -1.699 12.934 -10.649 1.00 0.00 C ATOM 782 CD GLU A 48 -1.851 14.271 -9.919 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.774 14.357 -9.080 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.041 15.174 -10.214 1.00 0.00 O ATOM 0 H GLU A 48 -2.327 13.580 -14.252 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.968 11.762 -12.679 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.724 13.886 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.588 12.524 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.954 12.116 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.659 12.792 -10.944 1.00 0.00 H new ATOM 791 N VAL A 49 -3.949 10.698 -13.597 1.00 0.00 N ATOM 792 CA VAL A 49 -4.779 9.512 -13.729 1.00 0.00 C ATOM 793 C VAL A 49 -3.895 8.312 -14.077 1.00 0.00 C ATOM 794 O VAL A 49 -4.206 7.180 -13.713 1.00 0.00 O ATOM 795 CB VAL A 49 -5.885 9.758 -14.757 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.341 9.651 -16.184 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.055 8.796 -14.543 1.00 0.00 C ATOM 0 H VAL A 49 -4.360 11.551 -13.977 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.276 9.287 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.255 10.773 -14.615 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.147 9.830 -16.895 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.556 10.393 -16.331 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.931 8.654 -16.343 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.828 8.992 -15.287 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.705 7.769 -14.645 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.467 8.941 -13.544 1.00 0.00 H new ATOM 807 N LEU A 50 -2.810 8.603 -14.780 1.00 0.00 N ATOM 808 CA LEU A 50 -1.878 7.562 -15.181 1.00 0.00 C ATOM 809 C LEU A 50 -0.696 7.538 -14.210 1.00 0.00 C ATOM 810 O LEU A 50 -0.158 6.472 -13.910 1.00 0.00 O ATOM 811 CB LEU A 50 -1.467 7.747 -16.644 1.00 0.00 C ATOM 812 CG LEU A 50 -2.609 7.789 -17.662 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.732 9.178 -18.291 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.444 6.694 -18.718 1.00 0.00 C ATOM 0 H LEU A 50 -2.556 9.543 -15.082 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.355 6.583 -15.127 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.899 8.674 -16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.793 6.935 -16.917 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.543 7.590 -17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.551 9.180 -19.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.931 9.914 -17.512 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.802 9.431 -18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.269 6.747 -19.429 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.501 6.836 -19.246 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.445 5.718 -18.233 1.00 0.00 H new ATOM 826 N ARG A 51 -0.329 8.723 -13.745 1.00 0.00 N ATOM 827 CA ARG A 51 0.778 8.850 -12.814 1.00 0.00 C ATOM 828 C ARG A 51 0.417 8.214 -11.470 1.00 0.00 C ATOM 829 O ARG A 51 1.248 7.554 -10.847 1.00 0.00 O ATOM 830 CB ARG A 51 1.147 10.319 -12.593 1.00 0.00 C ATOM 831 CG ARG A 51 2.661 10.491 -12.463 1.00 0.00 C ATOM 832 CD ARG A 51 3.008 11.435 -11.311 1.00 0.00 C ATOM 833 NE ARG A 51 2.746 12.837 -11.709 1.00 0.00 N ATOM 834 CZ ARG A 51 3.239 13.905 -11.069 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.026 13.739 -9.996 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.947 15.140 -11.500 1.00 0.00 N ATOM 0 H ARG A 51 -0.779 9.603 -13.996 1.00 0.00 H new ATOM 0 HA ARG A 51 1.635 8.333 -13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.780 10.919 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.657 10.689 -11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.128 9.520 -12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.067 10.884 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.416 11.181 -10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.056 11.316 -11.036 1.00 0.00 H new ATOM 0 HE ARG A 51 2.152 13.000 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.249 12.799 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.402 14.552 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.349 15.267 -12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.323 15.953 -11.012 1.00 0.00 H new ATOM 850 N GLU A 52 -0.824 8.436 -11.061 1.00 0.00 N ATOM 851 CA GLU A 52 -1.306 7.893 -9.802 1.00 0.00 C ATOM 852 C GLU A 52 -1.335 6.363 -9.860 1.00 0.00 C ATOM 853 O GLU A 52 -1.503 5.703 -8.837 1.00 0.00 O ATOM 854 CB GLU A 52 -2.686 8.453 -9.455 1.00 0.00 C ATOM 855 CG GLU A 52 -3.753 7.919 -10.412 1.00 0.00 C ATOM 856 CD GLU A 52 -5.158 8.178 -9.867 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.470 9.367 -9.646 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.890 7.180 -9.684 1.00 0.00 O ATOM 0 H GLU A 52 -1.510 8.985 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.618 8.195 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.944 8.184 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.663 9.542 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.644 8.395 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.609 6.849 -10.562 1.00 0.00 H new ATOM 865 N GLN A 53 -1.167 5.846 -11.068 1.00 0.00 N ATOM 866 CA GLN A 53 -1.172 4.407 -11.273 1.00 0.00 C ATOM 867 C GLN A 53 0.228 3.921 -11.655 1.00 0.00 C ATOM 868 O GLN A 53 0.544 2.743 -11.495 1.00 0.00 O ATOM 869 CB GLN A 53 -2.200 4.008 -12.334 1.00 0.00 C ATOM 870 CG GLN A 53 -1.930 4.727 -13.656 1.00 0.00 C ATOM 871 CD GLN A 53 -2.974 4.348 -14.710 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.846 3.362 -15.419 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.008 5.181 -14.771 1.00 0.00 N ATOM 0 H GLN A 53 -1.027 6.397 -11.915 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.459 3.927 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.168 2.930 -12.489 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.203 4.250 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.943 5.805 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.934 4.470 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.051 5.987 -14.147 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.758 5.014 -15.441 1.00 0.00 H new ATOM 882 N ALA A 54 1.028 4.853 -12.152 1.00 0.00 N ATOM 883 CA ALA A 54 2.385 4.533 -12.558 1.00 0.00 C ATOM 884 C ALA A 54 3.195 4.115 -11.329 1.00 0.00 C ATOM 885 O ALA A 54 3.215 4.823 -10.322 1.00 0.00 O ATOM 886 CB ALA A 54 2.999 5.735 -13.278 1.00 0.00 C ATOM 0 H ALA A 54 0.762 5.829 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 54 2.389 3.696 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.018 5.495 -13.583 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.403 5.975 -14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.014 6.593 -12.606 1.00 0.00 H new ATOM 892 N GLY A 55 3.844 2.966 -11.450 1.00 0.00 N ATOM 893 CA GLY A 55 4.654 2.445 -10.360 1.00 0.00 C ATOM 894 C GLY A 55 4.207 1.035 -9.972 1.00 0.00 C ATOM 895 O GLY A 55 4.492 0.573 -8.868 1.00 0.00 O ATOM 0 H GLY A 55 3.826 2.381 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.703 2.429 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.577 3.106 -9.496 1.00 0.00 H new ATOM 899 N GLY A 56 3.514 0.391 -10.899 1.00 0.00 N ATOM 900 CA GLY A 56 3.024 -0.957 -10.666 1.00 0.00 C ATOM 901 C GLY A 56 1.858 -1.286 -11.601 1.00 0.00 C ATOM 902 O GLY A 56 1.504 -0.484 -12.463 1.00 0.00 O ATOM 0 H GLY A 56 3.280 0.778 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.831 -1.673 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.703 -1.057 -9.629 1.00 0.00 H new ATOM 906 N ASP A 57 1.295 -2.467 -11.399 1.00 0.00 N ATOM 907 CA ASP A 57 0.176 -2.913 -12.212 1.00 0.00 C ATOM 908 C ASP A 57 -1.029 -2.008 -11.953 1.00 0.00 C ATOM 909 O ASP A 57 -1.374 -1.741 -10.803 1.00 0.00 O ATOM 910 CB ASP A 57 -0.225 -4.347 -11.862 1.00 0.00 C ATOM 911 CG ASP A 57 -1.637 -4.748 -12.290 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.585 -4.101 -11.794 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.738 -5.691 -13.103 1.00 0.00 O ATOM 0 H ASP A 57 1.593 -3.130 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 57 0.482 -2.871 -13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.486 -5.030 -12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.137 -4.479 -10.784 1.00 0.00 H new ATOM 918 N ALA A 58 -1.637 -1.561 -13.042 1.00 0.00 N ATOM 919 CA ALA A 58 -2.798 -0.691 -12.946 1.00 0.00 C ATOM 920 C ALA A 58 -4.053 -1.479 -13.323 1.00 0.00 C ATOM 921 O ALA A 58 -5.171 -0.998 -13.140 1.00 0.00 O ATOM 922 CB ALA A 58 -2.592 0.537 -13.837 1.00 0.00 C ATOM 0 H ALA A 58 -1.348 -1.784 -13.994 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.926 -0.335 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.463 1.189 -13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.705 1.079 -13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.462 0.218 -14.871 1.00 0.00 H new ATOM 928 N THR A 59 -3.828 -2.677 -13.841 1.00 0.00 N ATOM 929 CA THR A 59 -4.928 -3.537 -14.244 1.00 0.00 C ATOM 930 C THR A 59 -5.930 -3.694 -13.100 1.00 0.00 C ATOM 931 O THR A 59 -7.138 -3.595 -13.309 1.00 0.00 O ATOM 932 CB THR A 59 -4.337 -4.866 -14.721 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.256 -5.319 -15.712 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.390 -5.951 -13.643 1.00 0.00 C ATOM 0 H THR A 59 -2.900 -3.073 -13.991 1.00 0.00 H new ATOM 0 HA THR A 59 -5.491 -3.099 -15.068 1.00 0.00 H new ATOM 0 HB THR A 59 -3.304 -4.712 -15.032 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.004 -4.689 -15.777 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.958 -6.873 -14.033 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.823 -5.625 -12.771 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.426 -6.129 -13.356 1.00 0.00 H new ATOM 942 N GLU A 60 -5.392 -3.934 -11.913 1.00 0.00 N ATOM 943 CA GLU A 60 -6.224 -4.106 -10.735 1.00 0.00 C ATOM 944 C GLU A 60 -7.194 -2.931 -10.596 1.00 0.00 C ATOM 945 O GLU A 60 -8.231 -3.050 -9.943 1.00 0.00 O ATOM 946 CB GLU A 60 -5.368 -4.262 -9.477 1.00 0.00 C ATOM 947 CG GLU A 60 -4.242 -3.227 -9.448 1.00 0.00 C ATOM 948 CD GLU A 60 -2.888 -3.899 -9.206 1.00 0.00 C ATOM 949 OE1 GLU A 60 -2.769 -5.087 -9.575 1.00 0.00 O ATOM 950 OE2 GLU A 60 -2.002 -3.208 -8.658 1.00 0.00 O ATOM 0 H GLU A 60 -4.390 -4.013 -11.742 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.805 -5.020 -10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.993 -4.149 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.945 -5.266 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.219 -2.683 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.435 -2.496 -8.663 1.00 0.00 H new ATOM 957 N ASN A 61 -6.825 -1.822 -11.219 1.00 0.00 N ATOM 958 CA ASN A 61 -7.649 -0.625 -11.172 1.00 0.00 C ATOM 959 C ASN A 61 -8.476 -0.533 -12.457 1.00 0.00 C ATOM 960 O ASN A 61 -9.702 -0.442 -12.404 1.00 0.00 O ATOM 961 CB ASN A 61 -6.787 0.633 -11.073 1.00 0.00 C ATOM 962 CG ASN A 61 -7.122 1.430 -9.811 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.132 2.109 -9.724 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.223 1.307 -8.838 1.00 0.00 N ATOM 0 H ASN A 61 -5.966 -1.726 -11.760 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.292 -0.690 -10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.733 0.356 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.944 1.256 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.358 1.798 -7.954 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.399 0.722 -8.976 1.00 0.00 H new ATOM 971 N PHE A 62 -7.773 -0.555 -13.579 1.00 0.00 N ATOM 972 CA PHE A 62 -8.428 -0.474 -14.874 1.00 0.00 C ATOM 973 C PHE A 62 -9.580 -1.477 -14.970 1.00 0.00 C ATOM 974 O PHE A 62 -10.480 -1.317 -15.792 1.00 0.00 O ATOM 975 CB PHE A 62 -7.376 -0.822 -15.930 1.00 0.00 C ATOM 976 CG PHE A 62 -7.787 -1.959 -16.867 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.704 -3.250 -16.447 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.234 -1.679 -18.121 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.086 -4.305 -17.317 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.616 -2.733 -18.991 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.534 -4.026 -18.571 1.00 0.00 C ATOM 0 H PHE A 62 -6.756 -0.628 -13.619 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.838 0.525 -15.021 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.165 0.067 -16.525 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.449 -1.096 -15.427 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.348 -3.473 -15.452 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.298 -0.654 -18.455 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.021 -5.330 -16.983 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.972 -2.510 -19.986 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.824 -4.829 -19.233 1.00 0.00 H new ATOM 991 N GLU A 63 -9.513 -2.490 -14.118 1.00 0.00 N ATOM 992 CA GLU A 63 -10.539 -3.518 -14.096 1.00 0.00 C ATOM 993 C GLU A 63 -11.836 -2.962 -13.505 1.00 0.00 C ATOM 994 O GLU A 63 -12.917 -3.192 -14.045 1.00 0.00 O ATOM 995 CB GLU A 63 -10.066 -4.748 -13.319 1.00 0.00 C ATOM 996 CG GLU A 63 -9.579 -5.844 -14.270 1.00 0.00 C ATOM 997 CD GLU A 63 -10.499 -7.066 -14.214 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.931 -7.400 -13.090 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.747 -7.639 -15.296 1.00 0.00 O ATOM 0 H GLU A 63 -8.764 -2.620 -13.438 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.735 -3.830 -15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.261 -4.466 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.881 -5.130 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.543 -5.457 -15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.563 -6.136 -14.004 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.686 -2.241 -12.404 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.832 -1.649 -11.734 1.00 0.00 C ATOM 1008 C ASP A 64 -13.386 -0.509 -12.591 1.00 0.00 C ATOM 1009 O ASP A 64 -14.544 -0.545 -13.005 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.436 -1.069 -10.375 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.351 -1.462 -9.213 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.308 -2.652 -8.834 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.073 -0.563 -8.730 1.00 0.00 O ATOM 0 H ASP A 64 -10.788 -2.053 -11.959 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.578 -2.430 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.420 -1.389 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.418 0.018 -10.452 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.534 0.476 -12.832 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.923 1.623 -13.635 1.00 0.00 C ATOM 1020 C VAL A 65 -13.570 1.139 -14.933 1.00 0.00 C ATOM 1021 O VAL A 65 -14.305 1.881 -15.580 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.715 2.532 -13.869 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.408 1.741 -13.773 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.825 3.250 -15.217 1.00 0.00 C ATOM 0 H VAL A 65 -11.575 0.504 -12.485 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.666 2.222 -13.109 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.706 3.289 -13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.564 2.410 -13.943 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.324 1.296 -12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.404 0.953 -14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.955 3.890 -15.360 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.870 2.513 -16.019 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.729 3.858 -15.232 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.272 -0.106 -15.275 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.815 -0.700 -16.485 1.00 0.00 C ATOM 1036 C GLY A 66 -13.536 0.184 -17.702 1.00 0.00 C ATOM 1037 O GLY A 66 -14.417 0.911 -18.161 1.00 0.00 O ATOM 0 H GLY A 66 -12.662 -0.720 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.376 -1.686 -16.639 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.890 -0.843 -16.374 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.308 0.094 -18.190 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.902 0.877 -19.346 1.00 0.00 C ATOM 1043 C HIS A 67 -12.601 0.344 -20.598 1.00 0.00 C ATOM 1044 O HIS A 67 -13.366 -0.616 -20.525 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.378 0.897 -19.480 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.685 1.785 -18.474 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.133 1.300 -17.301 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.459 3.130 -18.480 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.603 2.318 -16.636 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.806 3.451 -17.369 1.00 0.00 N ATOM 0 H HIS A 67 -11.580 -0.509 -17.806 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.210 1.914 -19.214 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.001 -0.120 -19.373 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.116 1.230 -20.484 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.134 0.326 -16.999 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.760 3.817 -19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.099 2.260 -15.682 1.00 0.00 H new ATOM 1059 N SER A 68 -12.312 0.991 -21.718 1.00 0.00 N ATOM 1060 CA SER A 68 -12.904 0.594 -22.985 1.00 0.00 C ATOM 1061 C SER A 68 -11.867 -0.139 -23.838 1.00 0.00 C ATOM 1062 O SER A 68 -10.671 0.123 -23.728 1.00 0.00 O ATOM 1063 CB SER A 68 -13.453 1.806 -23.740 1.00 0.00 C ATOM 1064 OG SER A 68 -12.452 2.440 -24.531 1.00 0.00 O ATOM 0 H SER A 68 -11.676 1.787 -21.775 1.00 0.00 H new ATOM 0 HA SER A 68 -13.737 -0.078 -22.779 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.276 1.491 -24.381 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.860 2.523 -23.027 1.00 0.00 H new ATOM 0 HG SER A 68 -12.842 3.208 -24.998 1.00 0.00 H new ATOM 1070 N THR A 69 -12.364 -1.042 -24.671 1.00 0.00 N ATOM 1071 CA THR A 69 -11.497 -1.814 -25.543 1.00 0.00 C ATOM 1072 C THR A 69 -10.575 -0.886 -26.336 1.00 0.00 C ATOM 1073 O THR A 69 -9.507 -1.300 -26.783 1.00 0.00 O ATOM 1074 CB THR A 69 -12.381 -2.696 -26.428 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.653 -3.837 -25.621 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.623 -3.261 -27.632 1.00 0.00 C ATOM 0 H THR A 69 -13.357 -1.256 -24.760 1.00 0.00 H new ATOM 0 HA THR A 69 -10.836 -2.464 -24.970 1.00 0.00 H new ATOM 0 HB THR A 69 -13.237 -2.119 -26.776 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.223 -4.461 -26.118 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.295 -3.879 -28.227 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.248 -2.440 -28.243 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.786 -3.866 -27.284 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.022 0.352 -26.488 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.252 1.343 -27.220 1.00 0.00 C ATOM 1086 C ASP A 70 -9.089 1.823 -26.348 1.00 0.00 C ATOM 1087 O ASP A 70 -7.959 1.936 -26.820 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.111 2.558 -27.574 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.440 3.578 -28.497 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.571 3.400 -29.728 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.810 4.510 -27.951 1.00 0.00 O ATOM 0 H ASP A 70 -11.909 0.692 -26.116 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.890 0.879 -28.138 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.028 2.210 -28.048 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.400 3.061 -26.651 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.408 2.094 -25.091 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.403 2.560 -24.149 1.00 0.00 C ATOM 1098 C ALA A 71 -7.280 1.526 -24.054 1.00 0.00 C ATOM 1099 O ALA A 71 -6.103 1.879 -24.090 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.061 2.833 -22.794 1.00 0.00 C ATOM 0 H ALA A 71 -10.347 2.000 -24.703 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.961 3.496 -24.491 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.308 3.182 -22.088 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.831 3.596 -22.910 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.513 1.915 -22.418 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.685 0.270 -23.933 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.726 -0.817 -23.833 1.00 0.00 C ATOM 1108 C ARG A 72 -5.905 -0.923 -25.120 1.00 0.00 C ATOM 1109 O ARG A 72 -4.678 -0.999 -25.073 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.432 -2.151 -23.577 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.472 -2.016 -22.463 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.188 -3.344 -22.217 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.207 -4.147 -23.460 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.230 -4.986 -23.831 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.149 -5.136 -23.053 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.333 -5.672 -24.976 1.00 0.00 N ATOM 0 H ARG A 72 -8.663 -0.019 -23.902 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.065 -0.599 -22.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.916 -2.492 -24.492 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.698 -2.909 -23.304 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.986 -1.686 -21.545 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.200 -1.251 -22.731 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.684 -3.897 -21.425 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.207 -3.160 -21.878 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.016 -4.056 -24.074 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.072 -4.612 -22.181 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.404 -5.774 -23.333 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.156 -5.556 -25.567 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.589 -6.310 -25.257 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.614 -0.921 -26.239 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.968 -1.015 -27.536 1.00 0.00 C ATOM 1132 C GLU A 73 -4.966 0.129 -27.713 1.00 0.00 C ATOM 1133 O GLU A 73 -3.849 -0.085 -28.181 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.998 -1.021 -28.665 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.448 -1.721 -29.909 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.305 -1.411 -31.138 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.624 -0.218 -31.321 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.621 -2.377 -31.865 1.00 0.00 O ATOM 0 H GLU A 73 -7.631 -0.856 -26.274 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.425 -1.959 -27.581 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.905 -1.525 -28.331 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.276 0.003 -28.913 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.422 -1.400 -30.087 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.421 -2.798 -29.742 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.403 1.320 -27.330 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.560 2.497 -27.440 1.00 0.00 C ATOM 1147 C LEU A 74 -3.281 2.283 -26.627 1.00 0.00 C ATOM 1148 O LEU A 74 -2.200 2.701 -27.041 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.338 3.754 -27.043 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.881 4.446 -25.757 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.941 5.613 -26.067 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.081 4.886 -24.916 1.00 0.00 C ATOM 0 H LEU A 74 -6.330 1.494 -26.943 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.257 2.652 -28.476 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.273 4.471 -27.861 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.389 3.488 -26.935 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.317 3.726 -25.163 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.631 6.088 -25.136 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.063 5.242 -26.595 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.459 6.342 -26.691 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.729 5.375 -24.008 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.692 5.583 -25.490 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.678 4.014 -24.650 1.00 0.00 H new ATOM 1164 N SER A 75 -3.448 1.633 -25.485 1.00 0.00 N ATOM 1165 CA SER A 75 -2.320 1.358 -24.610 1.00 0.00 C ATOM 1166 C SER A 75 -1.300 0.475 -25.332 1.00 0.00 C ATOM 1167 O SER A 75 -0.098 0.591 -25.098 1.00 0.00 O ATOM 1168 CB SER A 75 -2.780 0.686 -23.315 1.00 0.00 C ATOM 1169 OG SER A 75 -1.959 1.045 -22.206 1.00 0.00 O ATOM 0 H SER A 75 -4.346 1.289 -25.145 1.00 0.00 H new ATOM 0 HA SER A 75 -1.850 2.306 -24.350 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.813 0.967 -23.108 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.764 -0.396 -23.443 1.00 0.00 H new ATOM 0 HG SER A 75 -1.370 0.295 -21.978 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.817 -0.386 -26.196 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.966 -1.286 -26.954 1.00 0.00 C ATOM 1177 C LYS A 76 0.079 -0.472 -27.720 1.00 0.00 C ATOM 1178 O LYS A 76 1.101 -1.009 -28.144 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.811 -2.196 -27.849 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.982 -1.590 -29.243 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.024 -2.238 -30.245 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.352 -1.806 -31.675 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.060 -2.888 -32.394 1.00 0.00 N ATOM 0 H LYS A 76 -2.814 -0.479 -26.388 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.423 -1.951 -26.282 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.337 -3.174 -27.930 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.789 -2.352 -27.394 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.010 -1.725 -29.578 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.799 -0.516 -29.202 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.002 -1.961 -30.004 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.088 -3.323 -30.165 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.970 -0.908 -31.657 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.434 -1.550 -32.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.275 -2.578 -33.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.457 -3.735 -32.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.946 -3.113 -31.898 1.00 0.00 H new ATOM 1197 N THR A 77 -0.213 0.811 -27.872 1.00 0.00 N ATOM 1198 CA THR A 77 0.689 1.706 -28.577 1.00 0.00 C ATOM 1199 C THR A 77 1.806 2.181 -27.646 1.00 0.00 C ATOM 1200 O THR A 77 2.877 2.574 -28.106 1.00 0.00 O ATOM 1201 CB THR A 77 -0.141 2.848 -29.164 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.679 3.377 -30.203 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.303 4.016 -28.189 1.00 0.00 C ATOM 0 H THR A 77 -1.062 1.253 -27.519 1.00 0.00 H new ATOM 0 HA THR A 77 1.191 1.195 -29.399 1.00 0.00 H new ATOM 0 HB THR A 77 -1.124 2.472 -29.448 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.215 4.123 -30.638 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.900 4.799 -28.656 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.803 3.669 -27.285 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.679 4.413 -27.931 1.00 0.00 H new ATOM 1211 N PHE A 78 1.516 2.132 -26.355 1.00 0.00 N ATOM 1212 CA PHE A 78 2.482 2.553 -25.354 1.00 0.00 C ATOM 1213 C PHE A 78 3.248 1.354 -24.792 1.00 0.00 C ATOM 1214 O PHE A 78 4.278 1.520 -24.141 1.00 0.00 O ATOM 1215 CB PHE A 78 1.694 3.216 -24.223 1.00 0.00 C ATOM 1216 CG PHE A 78 0.789 4.360 -24.682 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.258 5.288 -25.560 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.484 4.452 -24.213 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.416 6.351 -25.986 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.325 5.513 -24.640 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.855 6.441 -25.518 1.00 0.00 C ATOM 0 H PHE A 78 0.626 1.807 -25.978 1.00 0.00 H new ATOM 0 HA PHE A 78 3.206 3.235 -25.800 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.084 2.460 -23.728 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.395 3.597 -23.480 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.269 5.217 -25.933 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.856 3.717 -23.515 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.788 7.088 -26.683 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.337 5.584 -24.269 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.494 7.249 -25.842 1.00 0.00 H new ATOM 1231 N ILE A 79 2.716 0.171 -25.065 1.00 0.00 N ATOM 1232 CA ILE A 79 3.335 -1.055 -24.594 1.00 0.00 C ATOM 1233 C ILE A 79 4.838 -1.002 -24.874 1.00 0.00 C ATOM 1234 O ILE A 79 5.258 -0.980 -26.031 1.00 0.00 O ATOM 1235 CB ILE A 79 2.640 -2.275 -25.203 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.605 -2.854 -24.237 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.661 -3.325 -25.645 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.334 -4.328 -24.541 1.00 0.00 C ATOM 0 H ILE A 79 1.862 0.037 -25.607 1.00 0.00 H new ATOM 0 HA ILE A 79 3.213 -1.153 -23.515 1.00 0.00 H new ATOM 0 HB ILE A 79 2.104 -1.952 -26.095 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.961 -2.750 -23.212 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.677 -2.287 -24.311 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.140 -4.181 -26.074 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.327 -2.893 -26.393 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.245 -3.650 -24.784 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.595 -4.714 -23.839 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.955 -4.426 -25.558 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.259 -4.896 -24.442 1.00 0.00 H new ATOM 1250 N ILE A 80 5.608 -0.981 -23.796 1.00 0.00 N ATOM 1251 CA ILE A 80 7.056 -0.931 -23.911 1.00 0.00 C ATOM 1252 C ILE A 80 7.643 -2.284 -23.509 1.00 0.00 C ATOM 1253 O ILE A 80 8.757 -2.624 -23.906 1.00 0.00 O ATOM 1254 CB ILE A 80 7.616 0.245 -23.108 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.612 0.718 -22.054 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.054 1.383 -24.034 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.509 -0.287 -20.907 1.00 0.00 C ATOM 0 H ILE A 80 5.257 -0.998 -22.839 1.00 0.00 H new ATOM 0 HA ILE A 80 7.350 -0.751 -24.945 1.00 0.00 H new ATOM 0 HB ILE A 80 8.504 -0.097 -22.576 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.918 1.689 -21.665 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.633 0.853 -22.514 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.448 2.206 -23.438 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.828 1.023 -24.712 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.198 1.731 -24.612 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.789 0.073 -20.172 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.180 -1.251 -21.296 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.485 -0.401 -20.434 1.00 0.00 H new ATOM 1269 N GLY A 81 6.867 -3.021 -22.729 1.00 0.00 N ATOM 1270 CA GLY A 81 7.296 -4.332 -22.270 1.00 0.00 C ATOM 1271 C GLY A 81 6.174 -5.042 -21.510 1.00 0.00 C ATOM 1272 O GLY A 81 4.996 -4.793 -21.762 1.00 0.00 O ATOM 0 H GLY A 81 5.944 -2.736 -22.403 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.602 -4.938 -23.123 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.168 -4.228 -21.624 1.00 0.00 H new ATOM 1276 N GLU A 82 6.579 -5.913 -20.597 1.00 0.00 N ATOM 1277 CA GLU A 82 5.621 -6.661 -19.801 1.00 0.00 C ATOM 1278 C GLU A 82 6.237 -7.045 -18.455 1.00 0.00 C ATOM 1279 O GLU A 82 7.453 -6.975 -18.281 1.00 0.00 O ATOM 1280 CB GLU A 82 5.130 -7.898 -20.553 1.00 0.00 C ATOM 1281 CG GLU A 82 5.199 -7.684 -22.067 1.00 0.00 C ATOM 1282 CD GLU A 82 4.811 -8.959 -22.819 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.085 -10.048 -22.270 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.250 -8.816 -23.926 1.00 0.00 O ATOM 0 H GLU A 82 7.557 -6.117 -20.391 1.00 0.00 H new ATOM 0 HA GLU A 82 4.756 -6.024 -19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.736 -8.760 -20.276 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.104 -8.122 -20.260 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.532 -6.871 -22.354 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.208 -7.383 -22.350 1.00 0.00 H new ATOM 1291 N LEU A 83 5.369 -7.444 -17.535 1.00 0.00 N ATOM 1292 CA LEU A 83 5.813 -7.840 -16.209 1.00 0.00 C ATOM 1293 C LEU A 83 6.552 -9.176 -16.301 1.00 0.00 C ATOM 1294 O LEU A 83 6.007 -10.157 -16.803 1.00 0.00 O ATOM 1295 CB LEU A 83 4.636 -7.853 -15.231 1.00 0.00 C ATOM 1296 CG LEU A 83 4.979 -8.161 -13.773 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.491 -8.104 -13.541 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.218 -7.232 -12.823 1.00 0.00 C ATOM 0 H LEU A 83 4.361 -7.501 -17.682 1.00 0.00 H new ATOM 0 HA LEU A 83 6.520 -7.112 -15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.146 -6.880 -15.270 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.911 -8.590 -15.576 1.00 0.00 H new ATOM 0 HG LEU A 83 4.658 -9.179 -13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.707 -8.327 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.985 -8.838 -14.178 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.859 -7.107 -13.783 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.480 -7.472 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.486 -6.197 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.146 -7.365 -12.965 1.00 0.00 H new ATOM 1310 N HIS A 84 7.782 -9.171 -15.808 1.00 0.00 N ATOM 1311 CA HIS A 84 8.601 -10.371 -15.828 1.00 0.00 C ATOM 1312 C HIS A 84 8.054 -11.382 -14.819 1.00 0.00 C ATOM 1313 O HIS A 84 7.045 -11.129 -14.165 1.00 0.00 O ATOM 1314 CB HIS A 84 10.073 -10.028 -15.587 1.00 0.00 C ATOM 1315 CG HIS A 84 10.996 -10.478 -16.694 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.730 -11.066 -17.894 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.373 -10.338 -16.626 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.878 -11.273 -18.526 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.898 -10.822 -17.740 1.00 0.00 N flip ATOM 0 H HIS A 84 8.231 -8.355 -15.392 1.00 0.00 H new ATOM 0 HA HIS A 84 8.553 -10.833 -16.814 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.169 -8.949 -15.464 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.394 -10.486 -14.651 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.924 -9.907 -15.803 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.987 -11.724 -19.501 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.891 -10.853 -17.971 1.00 0.00 H new ATOM 1328 N PRO A 85 8.766 -12.539 -14.721 1.00 0.00 N ATOM 1329 CA PRO A 85 8.362 -13.589 -13.802 1.00 0.00 C ATOM 1330 C PRO A 85 8.704 -13.216 -12.358 1.00 0.00 C ATOM 1331 O PRO A 85 8.619 -14.052 -11.460 1.00 0.00 O ATOM 1332 CB PRO A 85 9.092 -14.833 -14.282 1.00 0.00 C ATOM 1333 CG PRO A 85 10.230 -14.336 -15.160 1.00 0.00 C ATOM 1334 CD PRO A 85 9.967 -12.873 -15.480 1.00 0.00 C ATOM 0 HA PRO A 85 7.284 -13.752 -13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.472 -15.412 -13.440 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.423 -15.487 -14.842 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.185 -14.449 -14.647 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.289 -14.923 -16.077 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.809 -12.246 -15.186 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.815 -12.722 -16.549 1.00 0.00 H new ATOM 1342 N ASP A 86 9.084 -11.959 -12.179 1.00 0.00 N ATOM 1343 CA ASP A 86 9.439 -11.464 -10.860 1.00 0.00 C ATOM 1344 C ASP A 86 8.163 -11.187 -10.063 1.00 0.00 C ATOM 1345 O ASP A 86 8.180 -11.197 -8.834 1.00 0.00 O ATOM 1346 CB ASP A 86 10.231 -10.159 -10.956 1.00 0.00 C ATOM 1347 CG ASP A 86 9.951 -9.150 -9.841 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.483 -9.368 -8.731 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.210 -8.184 -10.122 1.00 0.00 O ATOM 0 H ASP A 86 9.154 -11.268 -12.926 1.00 0.00 H new ATOM 0 HA ASP A 86 10.051 -12.221 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.295 -10.396 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.013 -9.689 -11.915 1.00 0.00 H new ATOM 1354 N ASP A 87 7.086 -10.947 -10.798 1.00 0.00 N ATOM 1355 CA ASP A 87 5.803 -10.667 -10.176 1.00 0.00 C ATOM 1356 C ASP A 87 4.705 -10.709 -11.239 1.00 0.00 C ATOM 1357 O ASP A 87 4.161 -9.673 -11.617 1.00 0.00 O ATOM 1358 CB ASP A 87 5.792 -9.273 -9.540 1.00 0.00 C ATOM 1359 CG ASP A 87 6.372 -9.205 -8.125 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.607 -9.502 -7.183 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.568 -8.858 -8.020 1.00 0.00 O ATOM 0 H ASP A 87 7.076 -10.941 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 87 5.631 -11.418 -9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.354 -8.593 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.765 -8.910 -9.514 1.00 0.00 H new ATOM 1366 N ARG A 88 4.411 -11.918 -11.692 1.00 0.00 N ATOM 1367 CA ARG A 88 3.387 -12.111 -12.706 1.00 0.00 C ATOM 1368 C ARG A 88 2.025 -12.330 -12.048 1.00 0.00 C ATOM 1369 O ARG A 88 1.133 -11.491 -12.163 1.00 0.00 O ATOM 1370 CB ARG A 88 3.715 -13.309 -13.600 1.00 0.00 C ATOM 1371 CG ARG A 88 5.091 -13.150 -14.248 1.00 0.00 C ATOM 1372 CD ARG A 88 4.997 -12.345 -15.545 1.00 0.00 C ATOM 1373 NE ARG A 88 4.110 -13.037 -16.507 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.963 -12.675 -17.789 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.644 -11.625 -18.271 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.135 -13.361 -18.588 1.00 0.00 N ATOM 0 H ARG A 88 4.864 -12.775 -11.376 1.00 0.00 H new ATOM 0 HA ARG A 88 3.356 -11.212 -13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.691 -14.225 -13.010 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.954 -13.409 -14.374 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.768 -12.651 -13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.515 -14.133 -14.456 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.612 -11.347 -15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.990 -12.220 -15.978 1.00 0.00 H new ATOM 0 HE ARG A 88 3.577 -13.840 -16.173 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.274 -11.102 -17.662 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.532 -11.349 -19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.616 -14.159 -18.221 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.023 -13.085 -19.564 1.00 0.00 H new ATOM 1390 N SER A 89 1.905 -13.464 -11.371 1.00 0.00 N ATOM 1391 CA SER A 89 0.666 -13.805 -10.696 1.00 0.00 C ATOM 1392 C SER A 89 0.430 -12.851 -9.523 1.00 0.00 C ATOM 1393 O SER A 89 -0.622 -12.892 -8.886 1.00 0.00 O ATOM 1394 CB SER A 89 0.686 -15.254 -10.205 1.00 0.00 C ATOM 1395 OG SER A 89 1.761 -15.497 -9.301 1.00 0.00 O ATOM 0 H SER A 89 2.647 -14.158 -11.276 1.00 0.00 H new ATOM 0 HA SER A 89 -0.151 -13.703 -11.410 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.260 -15.483 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.772 -15.925 -11.060 1.00 0.00 H new ATOM 0 HG SER A 89 1.738 -16.432 -9.009 1.00 0.00 H new ATOM 1401 N LYS A 90 1.426 -12.015 -9.272 1.00 0.00 N ATOM 1402 CA LYS A 90 1.341 -11.053 -8.187 1.00 0.00 C ATOM 1403 C LYS A 90 0.465 -9.875 -8.622 1.00 0.00 C ATOM 1404 O LYS A 90 -0.045 -9.134 -7.785 1.00 0.00 O ATOM 1405 CB LYS A 90 2.740 -10.640 -7.725 1.00 0.00 C ATOM 1406 CG LYS A 90 3.334 -11.683 -6.777 1.00 0.00 C ATOM 1407 CD LYS A 90 3.793 -12.924 -7.545 1.00 0.00 C ATOM 1408 CE LYS A 90 4.867 -13.685 -6.767 1.00 0.00 C ATOM 1409 NZ LYS A 90 6.213 -13.163 -7.092 1.00 0.00 N ATOM 0 H LYS A 90 2.297 -11.984 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 90 0.863 -11.503 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.391 -10.517 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.691 -9.674 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.178 -11.251 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.591 -11.967 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.941 -13.578 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.185 -12.629 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.683 -13.592 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.815 -14.747 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.929 -13.692 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.392 -13.275 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.265 -12.155 -6.840 1.00 0.00 H new ATOM 1423 N ILE A 91 0.319 -9.741 -9.932 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.487 -8.667 -10.490 1.00 0.00 C ATOM 1425 C ILE A 91 -1.531 -9.258 -11.438 1.00 0.00 C ATOM 1426 O ILE A 91 -2.641 -8.738 -11.545 1.00 0.00 O ATOM 1427 CB ILE A 91 0.408 -7.610 -11.140 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.685 -7.954 -12.606 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.699 -7.416 -10.343 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.464 -6.833 -13.295 1.00 0.00 C ATOM 0 H ILE A 91 0.745 -10.358 -10.624 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.032 -8.149 -9.701 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.123 -6.658 -11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.251 -8.884 -12.664 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.257 -8.121 -13.128 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.316 -6.659 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.457 -7.092 -9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.246 -8.358 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.647 -7.103 -14.335 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.885 -5.910 -13.256 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.416 -6.685 -12.785 1.00 0.00 H new ATOM 1442 N THR A 92 -1.139 -10.336 -12.101 1.00 0.00 N ATOM 1443 CA THR A 92 -2.029 -11.003 -13.037 1.00 0.00 C ATOM 1444 C THR A 92 -3.489 -10.767 -12.647 1.00 0.00 C ATOM 1445 O THR A 92 -4.306 -10.387 -13.483 1.00 0.00 O ATOM 1446 CB THR A 92 -1.644 -12.483 -13.082 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.197 -12.949 -14.309 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.362 -13.308 -12.013 1.00 0.00 C ATOM 0 H THR A 92 -0.218 -10.764 -12.009 1.00 0.00 H new ATOM 0 HA THR A 92 -1.924 -10.594 -14.042 1.00 0.00 H new ATOM 0 HB THR A 92 -0.566 -12.581 -12.953 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.500 -12.964 -14.997 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.053 -14.350 -12.089 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.106 -12.925 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.440 -13.237 -12.162 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.772 -11.001 -11.373 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.119 -10.819 -10.862 1.00 0.00 C ATOM 1458 C LYS A 93 -5.121 -11.046 -9.349 1.00 0.00 C ATOM 1459 O LYS A 93 -4.881 -12.160 -8.885 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.106 -11.711 -11.618 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.530 -11.528 -11.087 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.465 -12.604 -11.644 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.515 -13.005 -10.607 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.813 -13.280 -11.265 1.00 0.00 N ATOM 0 H LYS A 93 -3.091 -11.315 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.455 -9.796 -11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.077 -11.472 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.808 -12.755 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.525 -11.574 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.901 -10.541 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.958 -12.233 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.885 -13.479 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.180 -13.889 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.634 -12.208 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.515 -13.551 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.138 -12.426 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.699 -14.056 -11.948 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.401 -9.945 -8.601 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.436 -10.013 -7.151 1.00 0.00 C ATOM 1480 C PRO A 94 -6.711 -10.708 -6.665 1.00 0.00 C ATOM 1481 O PRO A 94 -7.447 -11.288 -7.463 1.00 0.00 O ATOM 1482 CB PRO A 94 -5.333 -8.570 -6.686 1.00 0.00 C ATOM 1483 CG PRO A 94 -5.712 -7.718 -7.886 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.690 -8.610 -9.115 1.00 0.00 C ATOM 0 HA PRO A 94 -4.622 -10.609 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.002 -8.382 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.323 -8.340 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.702 -7.283 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.013 -6.890 -8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.646 -8.586 -9.638 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.929 -8.286 -9.825 1.00 0.00 H new ATOM 1492 N SER A 95 -6.930 -10.629 -5.362 1.00 0.00 N ATOM 1493 CA SER A 95 -8.103 -11.243 -4.761 1.00 0.00 C ATOM 1494 C SER A 95 -8.692 -10.315 -3.697 1.00 0.00 C ATOM 1495 O SER A 95 -7.956 -9.615 -3.002 1.00 0.00 O ATOM 1496 CB SER A 95 -7.759 -12.602 -4.150 1.00 0.00 C ATOM 1497 OG SER A 95 -8.927 -13.335 -3.789 1.00 0.00 O ATOM 0 H SER A 95 -6.316 -10.149 -4.704 1.00 0.00 H new ATOM 0 HA SER A 95 -8.845 -11.404 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.172 -13.182 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.135 -12.456 -3.268 1.00 0.00 H new ATOM 0 HG SER A 95 -8.666 -14.198 -3.404 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.012 -10.341 -3.601 1.00 0.00 N ATOM 1504 CA GLU A 96 -10.708 -9.510 -2.632 1.00 0.00 C ATOM 1505 C GLU A 96 -12.105 -10.073 -2.357 1.00 0.00 C ATOM 1506 O GLU A 96 -12.618 -10.876 -3.134 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.787 -8.059 -3.109 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.680 -7.935 -4.345 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.658 -6.767 -4.201 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.180 -5.615 -4.265 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -13.863 -7.054 -4.029 1.00 0.00 O ATOM 0 H GLU A 96 -10.619 -10.924 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.142 -9.521 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.178 -7.430 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.786 -7.694 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.062 -7.789 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.234 -8.862 -4.492 1.00 0.00 H new ATOM 1518 N SER A 97 -12.679 -9.630 -1.248 1.00 0.00 N ATOM 1519 CA SER A 97 -14.006 -10.078 -0.862 1.00 0.00 C ATOM 1520 C SER A 97 -14.430 -9.397 0.441 1.00 0.00 C ATOM 1521 O SER A 97 -13.609 -9.190 1.334 1.00 0.00 O ATOM 1522 CB SER A 97 -14.047 -11.600 -0.703 1.00 0.00 C ATOM 1523 OG SER A 97 -15.376 -12.109 -0.781 1.00 0.00 O ATOM 0 H SER A 97 -12.249 -8.965 -0.605 1.00 0.00 H new ATOM 0 HA SER A 97 -14.704 -9.802 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.436 -12.062 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.609 -11.876 0.256 1.00 0.00 H new ATOM 0 HG SER A 97 -15.360 -13.083 -0.677 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.711 -9.066 0.508 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.254 -8.412 1.686 1.00 0.00 C ATOM 1531 C ILE A 98 -17.781 -8.493 1.651 1.00 0.00 C ATOM 1532 O ILE A 98 -18.384 -8.482 0.579 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.717 -6.983 1.800 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.939 -6.426 3.209 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.327 -6.080 0.725 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -14.654 -6.505 4.037 1.00 0.00 C ATOM 0 H ILE A 98 -16.389 -9.239 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.928 -8.925 2.591 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.641 -7.007 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -16.273 -5.390 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.731 -6.987 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.929 -5.071 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.077 -6.469 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.410 -6.056 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.838 -6.103 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -14.337 -7.545 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.871 -5.923 3.550 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.365 -8.575 2.838 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.811 -8.660 2.957 1.00 0.00 C ATOM 1550 C ILE A 99 -20.278 -7.750 4.095 1.00 0.00 C ATOM 1551 O ILE A 99 -19.507 -7.436 5.000 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.251 -10.117 3.115 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.756 -10.263 2.882 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.825 -10.675 4.474 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.095 -11.652 2.337 1.00 0.00 C ATOM 0 H ILE A 99 -17.863 -8.584 3.726 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.290 -8.304 2.045 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.747 -10.710 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.290 -10.095 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.094 -9.501 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.150 -11.712 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.740 -10.627 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.281 -10.085 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -23.171 -11.729 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.579 -11.807 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.777 -12.411 3.052 1.00 0.00 H new ATOM 1567 N THR A 100 -21.539 -7.351 4.012 1.00 0.00 N ATOM 1568 CA THR A 100 -22.119 -6.483 5.021 1.00 0.00 C ATOM 1569 C THR A 100 -23.641 -6.439 4.877 1.00 0.00 C ATOM 1570 O THR A 100 -24.184 -6.870 3.863 1.00 0.00 O ATOM 1571 CB THR A 100 -21.456 -5.109 4.901 1.00 0.00 C ATOM 1572 OG1 THR A 100 -21.963 -4.381 6.016 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.954 -4.324 3.687 1.00 0.00 C ATOM 0 H THR A 100 -22.176 -7.614 3.260 1.00 0.00 H new ATOM 0 HA THR A 100 -21.931 -6.863 6.025 1.00 0.00 H new ATOM 0 HB THR A 100 -20.375 -5.232 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.583 -3.478 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.452 -3.357 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 100 -21.735 -4.883 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 100 -23.030 -4.171 3.769 1.00 0.00 H new ATOM 1581 N THR A 101 -24.287 -5.914 5.909 1.00 0.00 N ATOM 1582 CA THR A 101 -25.735 -5.808 5.911 1.00 0.00 C ATOM 1583 C THR A 101 -26.174 -4.514 6.599 1.00 0.00 C ATOM 1584 O THR A 101 -25.438 -3.960 7.413 1.00 0.00 O ATOM 1585 CB THR A 101 -26.301 -7.069 6.567 1.00 0.00 C ATOM 1586 OG1 THR A 101 -27.711 -6.869 6.543 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.961 -7.157 8.056 1.00 0.00 C ATOM 0 H THR A 101 -23.833 -5.557 6.750 1.00 0.00 H new ATOM 0 HA THR A 101 -26.129 -5.749 4.896 1.00 0.00 H new ATOM 0 HB THR A 101 -25.915 -7.950 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 101 -28.158 -7.641 6.948 1.00 0.00 H new ATOM 0 HG21 THR A 101 -26.386 -8.070 8.473 1.00 0.00 H new ATOM 0 HG22 THR A 101 -24.878 -7.170 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 101 -26.376 -6.293 8.576 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.374 -4.073 6.248 1.00 0.00 N ATOM 1596 CA ILE A 102 -27.919 -2.855 6.822 1.00 0.00 C ATOM 1597 C ILE A 102 -29.279 -3.161 7.457 1.00 0.00 C ATOM 1598 O ILE A 102 -30.037 -3.983 6.943 1.00 0.00 O ATOM 1599 CB ILE A 102 -27.968 -1.742 5.773 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -28.125 -0.372 6.435 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -29.064 -2.010 4.740 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -26.910 0.515 6.154 1.00 0.00 C ATOM 0 H ILE A 102 -27.983 -4.537 5.574 1.00 0.00 H new ATOM 0 HA ILE A 102 -27.270 -2.485 7.616 1.00 0.00 H new ATOM 0 HB ILE A 102 -27.018 -1.734 5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -29.028 0.114 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -28.248 -0.496 7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.077 -1.204 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -28.866 -2.956 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -30.031 -2.061 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -27.047 1.483 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -26.012 0.038 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -26.804 0.657 5.078 1.00 0.00 H new ATOM 1614 N ASP A 103 -29.544 -2.483 8.563 1.00 0.00 N ATOM 1615 CA ASP A 103 -30.798 -2.672 9.274 1.00 0.00 C ATOM 1616 C ASP A 103 -31.213 -1.352 9.926 1.00 0.00 C ATOM 1617 O ASP A 103 -30.436 -0.399 9.958 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.653 -3.720 10.377 1.00 0.00 C ATOM 1619 CG ASP A 103 -29.330 -3.673 11.145 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -28.676 -2.611 11.082 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -29.004 -4.700 11.778 1.00 0.00 O ATOM 0 H ASP A 103 -28.913 -1.802 8.985 1.00 0.00 H new ATOM 0 HA ASP A 103 -31.546 -3.007 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -31.472 -3.595 11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -30.763 -4.710 9.934 1.00 0.00 H new ATOM 1626 N SER A 104 -32.439 -1.337 10.432 1.00 0.00 N ATOM 1627 CA SER A 104 -32.965 -0.151 11.083 1.00 0.00 C ATOM 1628 C SER A 104 -33.111 0.983 10.064 1.00 0.00 C ATOM 1629 O SER A 104 -32.658 0.863 8.926 1.00 0.00 O ATOM 1630 CB SER A 104 -32.066 0.289 12.240 1.00 0.00 C ATOM 1631 OG SER A 104 -32.595 1.420 12.927 1.00 0.00 O ATOM 0 H SER A 104 -33.082 -2.128 10.403 1.00 0.00 H new ATOM 0 HA SER A 104 -33.945 -0.393 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 104 -31.946 -0.537 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 104 -31.074 0.529 11.857 1.00 0.00 H new ATOM 0 HG SER A 104 -31.993 1.669 13.659 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.990 5.269 -17.420 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.604 7.179 -18.409 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.036 4.865 -20.701 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.488 3.169 -16.417 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.793 5.825 -14.144 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.698 5.889 -19.173 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.839 6.595 -19.410 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.088 6.694 -20.862 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.041 6.108 -21.522 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.173 5.619 -20.475 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.828 5.983 -23.030 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.325 7.300 -21.497 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.557 6.445 -21.245 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.228 4.971 -21.113 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.139 4.561 -21.556 1.00 0.00 O HETATM 1653 O2A HEM A 105 -13.067 4.204 -20.607 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.562 4.269 -18.343 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.285 4.221 -19.721 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.142 3.367 -19.999 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.750 2.839 -18.783 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.610 3.429 -17.785 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.588 3.045 -21.388 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.885 1.757 -18.497 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.617 1.490 -18.961 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.289 4.629 -15.667 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.263 3.720 -15.439 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.079 3.434 -13.999 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.023 4.193 -13.367 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.744 4.949 -14.398 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.042 2.438 -13.425 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.278 4.269 -11.989 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.251 4.327 -11.061 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.430 6.264 -16.459 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.593 6.436 -15.080 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.667 7.346 -14.788 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.136 7.756 -15.980 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.412 7.045 -17.027 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.211 7.733 -13.419 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.152 8.847 -16.213 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.535 8.256 -16.332 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.401 9.027 -17.299 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.050 10.188 -17.595 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.419 8.471 -17.777 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.795 5.939 -23.532 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.267 5.074 -23.244 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.271 6.847 -23.392 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.515 2.867 -21.319 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.774 3.885 -22.058 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.080 2.154 -21.778 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.729 2.769 -12.435 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.175 2.396 -14.084 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.491 1.447 -13.352 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.082 6.900 -12.728 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.271 7.974 -13.503 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.670 8.602 -13.045 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.092 0.595 -18.628 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.138 2.174 -19.662 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.481 4.386 -9.997 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.213 4.314 -11.395 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.264 6.584 -22.063 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.051 6.786 -20.335 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.169 7.407 -22.570 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.487 8.301 -21.097 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.010 8.245 -15.351 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.459 7.220 -16.661 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.904 9.396 -17.121 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.124 9.562 -15.390 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.430 7.798 -18.727 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.702 4.767 -21.724 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.718 2.476 -16.110 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.000 6.048 -13.108 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.285 1.020 -17.801 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.311 4.283 -11.640 1.00 0.00 H new