USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, 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 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -41:sc= -1.03! USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -7.1! (180deg=-6.65!) USER MOD Set 2.1: A 53 GLN : amide:sc= -10.9! C(o=-22!,f=-29!) USER MOD Set 2.2: A 105 HEM CMC :methyl 150:sc= -11.4! (180deg=-6.77!) USER MOD Set 3.1: A 25 THR OG1 : rot -64:sc= 2.05 USER MOD Set 3.2: A 37 THR OG1 : rot 21:sc= 1.34 USER MOD Set 4.1: A 19 HIS : no HE2:sc= -1.23 K(o=-2.4,f=-6.9!) USER MOD Set 4.2: A 24 SER OG : rot -49:sc= -1.13 USER MOD Single : A 1 ALA N :NH3+ -170:sc= 0 (180deg=-0.0865) USER MOD Single : A 4 SER OG : rot 180:sc= 0 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= -2.44! USER MOD Single : A 17 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.22) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -9.92! C(o=-9.9!,f=-6.3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -28:sc= 0.138 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 31 TYR OH : rot -134:sc= 1.18 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 39:sc= -0.201 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -22.8! C(o=-23!,f=-32!) USER MOD Single : A 59 THR OG1 : rot -160:sc= 0.333 USER MOD Single : A 61 ASN : amide:sc=-0.00731 X(o=-0.0073,f=-0.12) USER MOD Single : A 68 SER OG : rot -99:sc= 0.864 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 -103:sc= -1.28 USER MOD Single : A 84 HIS : no HD1:sc= -11.1! C(o=-11!,f=-9.7!) USER MOD Single : A 89 SER OG : rot -36:sc= 0.355 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0276 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 -6:sc= 0.388! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.79 (180deg=-1.79) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.732 -2.161 -31.129 1.00 0.00 N ATOM 2 CA ALA A 1 30.826 -2.013 -32.073 1.00 0.00 C ATOM 3 C ALA A 1 30.307 -1.343 -33.347 1.00 0.00 C ATOM 4 O ALA A 1 30.915 -0.397 -33.845 1.00 0.00 O ATOM 5 CB ALA A 1 31.452 -3.383 -32.347 1.00 0.00 C ATOM 0 H1 ALA A 1 30.108 -2.457 -30.206 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.237 -1.252 -31.026 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.067 -2.880 -31.478 1.00 0.00 H new ATOM 0 HA ALA A 1 31.607 -1.374 -31.660 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.273 -3.273 -33.055 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.831 -3.803 -31.415 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.699 -4.050 -32.766 1.00 0.00 H new ATOM 11 N GLU A 2 29.191 -1.860 -33.837 1.00 0.00 N ATOM 12 CA GLU A 2 28.584 -1.323 -35.043 1.00 0.00 C ATOM 13 C GLU A 2 27.092 -1.663 -35.083 1.00 0.00 C ATOM 14 O GLU A 2 26.614 -2.264 -36.043 1.00 0.00 O ATOM 15 CB GLU A 2 29.297 -1.841 -36.293 1.00 0.00 C ATOM 16 CG GLU A 2 29.895 -0.688 -37.101 1.00 0.00 C ATOM 17 CD GLU A 2 30.101 -1.092 -38.563 1.00 0.00 C ATOM 18 OE1 GLU A 2 29.073 -1.266 -39.254 1.00 0.00 O ATOM 19 OE2 GLU A 2 31.281 -1.219 -38.957 1.00 0.00 O ATOM 0 H GLU A 2 28.691 -2.645 -33.421 1.00 0.00 H new ATOM 0 HA GLU A 2 28.690 -0.238 -35.027 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.086 -2.535 -36.004 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.594 -2.398 -36.913 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.235 0.178 -37.049 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.848 -0.389 -36.665 1.00 0.00 H new ATOM 26 N GLU A 3 26.398 -1.260 -34.027 1.00 0.00 N ATOM 27 CA GLU A 3 24.972 -1.513 -33.929 1.00 0.00 C ATOM 28 C GLU A 3 24.426 -0.972 -32.607 1.00 0.00 C ATOM 29 O GLU A 3 25.189 -0.513 -31.757 1.00 0.00 O ATOM 30 CB GLU A 3 24.667 -3.006 -34.079 1.00 0.00 C ATOM 31 CG GLU A 3 23.838 -3.272 -35.337 1.00 0.00 C ATOM 32 CD GLU A 3 23.748 -4.773 -35.625 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.817 -5.421 -35.594 1.00 0.00 O ATOM 34 OE2 GLU A 3 22.613 -5.238 -35.869 1.00 0.00 O ATOM 0 H GLU A 3 26.798 -0.760 -33.233 1.00 0.00 H new ATOM 0 HA GLU A 3 24.474 -0.991 -34.746 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.599 -3.568 -34.128 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.127 -3.361 -33.201 1.00 0.00 H new ATOM 0 HG2 GLU A 3 22.836 -2.861 -35.211 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.287 -2.761 -36.188 1.00 0.00 H new ATOM 41 N SER A 4 23.110 -1.045 -32.471 1.00 0.00 N ATOM 42 CA SER A 4 22.453 -0.569 -31.267 1.00 0.00 C ATOM 43 C SER A 4 21.016 -1.091 -31.210 1.00 0.00 C ATOM 44 O SER A 4 20.528 -1.679 -32.175 1.00 0.00 O ATOM 45 CB SER A 4 22.465 0.959 -31.200 1.00 0.00 C ATOM 46 OG SER A 4 23.108 1.439 -30.022 1.00 0.00 O ATOM 0 H SER A 4 22.481 -1.428 -33.177 1.00 0.00 H new ATOM 0 HA SER A 4 23.004 -0.949 -30.406 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.975 1.356 -32.078 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.441 1.331 -31.231 1.00 0.00 H new ATOM 0 HG SER A 4 23.096 2.419 -30.019 1.00 0.00 H new ATOM 52 N SER A 5 20.379 -0.860 -30.072 1.00 0.00 N ATOM 53 CA SER A 5 19.010 -1.301 -29.878 1.00 0.00 C ATOM 54 C SER A 5 18.521 -0.896 -28.487 1.00 0.00 C ATOM 55 O SER A 5 19.309 -0.445 -27.655 1.00 0.00 O ATOM 56 CB SER A 5 18.885 -2.815 -30.064 1.00 0.00 C ATOM 57 OG SER A 5 17.630 -3.181 -30.632 1.00 0.00 O ATOM 0 H SER A 5 20.787 -0.372 -29.274 1.00 0.00 H new ATOM 0 HA SER A 5 18.387 -0.818 -30.631 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.691 -3.169 -30.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.005 -3.310 -29.100 1.00 0.00 H new ATOM 0 HG SER A 5 17.590 -4.155 -30.736 1.00 0.00 H new ATOM 63 N LYS A 6 17.225 -1.070 -28.274 1.00 0.00 N ATOM 64 CA LYS A 6 16.623 -0.728 -26.996 1.00 0.00 C ATOM 65 C LYS A 6 15.129 -1.059 -27.038 1.00 0.00 C ATOM 66 O LYS A 6 14.410 -0.592 -27.920 1.00 0.00 O ATOM 67 CB LYS A 6 16.920 0.729 -26.637 1.00 0.00 C ATOM 68 CG LYS A 6 17.631 0.825 -25.286 1.00 0.00 C ATOM 69 CD LYS A 6 18.594 2.013 -25.256 1.00 0.00 C ATOM 70 CE LYS A 6 19.283 2.129 -23.896 1.00 0.00 C ATOM 71 NZ LYS A 6 20.730 1.843 -24.019 1.00 0.00 N ATOM 0 H LYS A 6 16.575 -1.444 -28.965 1.00 0.00 H new ATOM 0 HA LYS A 6 17.061 -1.325 -26.196 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.541 1.179 -27.412 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.990 1.296 -26.604 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.894 0.930 -24.490 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.179 -0.097 -25.093 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.344 1.897 -26.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.049 2.932 -25.471 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.138 3.131 -23.493 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.828 1.433 -23.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.181 1.927 -23.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.863 0.878 -24.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.164 2.523 -24.675 1.00 0.00 H new ATOM 85 N ALA A 7 14.707 -1.862 -26.071 1.00 0.00 N ATOM 86 CA ALA A 7 13.312 -2.260 -25.986 1.00 0.00 C ATOM 87 C ALA A 7 13.114 -3.147 -24.754 1.00 0.00 C ATOM 88 O ALA A 7 13.425 -4.336 -24.784 1.00 0.00 O ATOM 89 CB ALA A 7 12.902 -2.963 -27.282 1.00 0.00 C ATOM 0 H ALA A 7 15.306 -2.247 -25.341 1.00 0.00 H new ATOM 0 HA ALA A 7 12.670 -1.387 -25.871 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.856 -3.262 -27.219 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.035 -2.282 -28.123 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.523 -3.847 -27.429 1.00 0.00 H new ATOM 95 N VAL A 8 12.598 -2.532 -23.701 1.00 0.00 N ATOM 96 CA VAL A 8 12.355 -3.249 -22.460 1.00 0.00 C ATOM 97 C VAL A 8 11.836 -4.652 -22.782 1.00 0.00 C ATOM 98 O VAL A 8 12.579 -5.628 -22.692 1.00 0.00 O ATOM 99 CB VAL A 8 11.402 -2.448 -21.570 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.418 -1.635 -22.413 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.661 -3.366 -20.595 1.00 0.00 C ATOM 0 H VAL A 8 12.341 -1.545 -23.681 1.00 0.00 H new ATOM 0 HA VAL A 8 13.281 -3.365 -21.898 1.00 0.00 H new ATOM 0 HB VAL A 8 11.999 -1.749 -20.984 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.752 -1.075 -21.756 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.969 -0.941 -23.048 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.830 -2.309 -23.037 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.990 -2.772 -19.974 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.082 -4.100 -21.155 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.382 -3.881 -19.960 1.00 0.00 H new ATOM 111 N LYS A 9 10.565 -4.708 -23.149 1.00 0.00 N ATOM 112 CA LYS A 9 9.937 -5.975 -23.484 1.00 0.00 C ATOM 113 C LYS A 9 9.516 -6.688 -22.196 1.00 0.00 C ATOM 114 O LYS A 9 8.369 -7.109 -22.063 1.00 0.00 O ATOM 115 CB LYS A 9 10.859 -6.811 -24.375 1.00 0.00 C ATOM 116 CG LYS A 9 10.084 -7.425 -25.542 1.00 0.00 C ATOM 117 CD LYS A 9 10.933 -8.465 -26.275 1.00 0.00 C ATOM 118 CE LYS A 9 10.370 -8.748 -27.670 1.00 0.00 C ATOM 119 NZ LYS A 9 11.452 -8.729 -28.679 1.00 0.00 N ATOM 0 H LYS A 9 9.952 -3.896 -23.222 1.00 0.00 H new ATOM 0 HA LYS A 9 9.032 -5.808 -24.068 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.665 -6.186 -24.758 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.322 -7.602 -23.785 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.171 -7.891 -25.172 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.783 -6.641 -26.236 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.960 -8.108 -26.359 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.963 -9.388 -25.697 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.874 -9.719 -27.678 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.616 -8.002 -27.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.053 -8.923 -29.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.907 -7.794 -28.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.157 -9.457 -28.446 1.00 0.00 H new ATOM 133 N TYR A 10 10.467 -6.799 -21.281 1.00 0.00 N ATOM 134 CA TYR A 10 10.209 -7.451 -20.009 1.00 0.00 C ATOM 135 C TYR A 10 10.773 -6.631 -18.847 1.00 0.00 C ATOM 136 O TYR A 10 11.981 -6.414 -18.764 1.00 0.00 O ATOM 137 CB TYR A 10 10.938 -8.795 -20.070 1.00 0.00 C ATOM 138 CG TYR A 10 11.863 -8.948 -21.278 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.095 -8.326 -21.289 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.465 -9.707 -22.360 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.966 -8.469 -22.426 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.336 -9.851 -23.499 1.00 0.00 C ATOM 143 CZ TYR A 10 13.543 -9.224 -23.476 1.00 0.00 C ATOM 144 OH TYR A 10 14.366 -9.360 -24.551 1.00 0.00 O ATOM 0 H TYR A 10 11.418 -6.448 -21.395 1.00 0.00 H new ATOM 0 HA TYR A 10 9.137 -7.563 -19.845 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.523 -8.921 -19.159 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.200 -9.597 -20.087 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.406 -7.731 -20.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.501 -10.193 -22.353 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.933 -7.988 -22.445 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.037 -10.443 -24.351 1.00 0.00 H new ATOM 0 HH TYR A 10 13.934 -9.927 -25.224 1.00 0.00 H new ATOM 154 N TYR A 11 9.871 -6.197 -17.980 1.00 0.00 N ATOM 155 CA TYR A 11 10.262 -5.405 -16.826 1.00 0.00 C ATOM 156 C TYR A 11 9.766 -6.044 -15.527 1.00 0.00 C ATOM 157 O TYR A 11 8.925 -6.941 -15.555 1.00 0.00 O ATOM 158 CB TYR A 11 9.588 -4.043 -16.999 1.00 0.00 C ATOM 159 CG TYR A 11 10.554 -2.909 -17.351 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.731 -3.189 -18.013 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.247 -1.610 -17.006 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.641 -2.123 -18.344 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.157 -0.543 -17.336 1.00 0.00 C ATOM 164 CZ TYR A 11 12.309 -0.853 -17.990 1.00 0.00 C ATOM 165 OH TYR A 11 13.168 0.155 -18.303 1.00 0.00 O ATOM 0 H TYR A 11 8.870 -6.379 -18.053 1.00 0.00 H new ATOM 0 HA TYR A 11 11.348 -5.329 -16.765 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.834 -4.120 -17.782 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.066 -3.788 -16.077 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.970 -4.207 -18.283 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.324 -1.392 -16.488 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.566 -2.328 -18.862 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.930 0.479 -17.070 1.00 0.00 H new ATOM 0 HH TYR A 11 12.800 1.008 -17.990 1.00 0.00 H new ATOM 175 N THR A 12 10.307 -5.557 -14.421 1.00 0.00 N ATOM 176 CA THR A 12 9.930 -6.070 -13.114 1.00 0.00 C ATOM 177 C THR A 12 9.055 -5.056 -12.376 1.00 0.00 C ATOM 178 O THR A 12 9.113 -3.859 -12.657 1.00 0.00 O ATOM 179 CB THR A 12 11.210 -6.430 -12.359 1.00 0.00 C ATOM 180 OG1 THR A 12 11.855 -5.177 -12.149 1.00 0.00 O ATOM 181 CG2 THR A 12 12.199 -7.215 -13.225 1.00 0.00 C ATOM 0 H THR A 12 11.004 -4.812 -14.402 1.00 0.00 H new ATOM 0 HA THR A 12 9.324 -6.972 -13.203 1.00 0.00 H new ATOM 0 HB THR A 12 10.956 -7.014 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.694 -5.318 -11.663 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.090 -7.445 -12.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.734 -8.143 -13.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.478 -6.617 -14.092 1.00 0.00 H new ATOM 189 N LEU A 13 8.264 -5.570 -11.445 1.00 0.00 N ATOM 190 CA LEU A 13 7.378 -4.724 -10.664 1.00 0.00 C ATOM 191 C LEU A 13 8.164 -3.526 -10.129 1.00 0.00 C ATOM 192 O LEU A 13 7.645 -2.412 -10.077 1.00 0.00 O ATOM 193 CB LEU A 13 6.682 -5.540 -9.573 1.00 0.00 C ATOM 194 CG LEU A 13 5.221 -5.906 -9.837 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.665 -6.789 -8.717 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.371 -4.652 -10.053 1.00 0.00 C ATOM 0 H LEU A 13 8.219 -6.562 -11.214 1.00 0.00 H new ATOM 0 HA LEU A 13 6.580 -4.327 -11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.245 -6.461 -9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.732 -4.979 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 13 5.177 -6.488 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.625 -7.035 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.249 -7.707 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.725 -6.255 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.337 -4.941 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.418 -4.023 -9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.752 -4.097 -10.910 1.00 0.00 H new ATOM 208 N GLU A 14 9.404 -3.796 -9.747 1.00 0.00 N ATOM 209 CA GLU A 14 10.267 -2.752 -9.218 1.00 0.00 C ATOM 210 C GLU A 14 10.615 -1.745 -10.316 1.00 0.00 C ATOM 211 O GLU A 14 10.486 -0.537 -10.118 1.00 0.00 O ATOM 212 CB GLU A 14 11.533 -3.350 -8.600 1.00 0.00 C ATOM 213 CG GLU A 14 11.719 -2.868 -7.159 1.00 0.00 C ATOM 214 CD GLU A 14 13.008 -2.056 -7.017 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.178 -1.115 -7.823 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.793 -2.393 -6.105 1.00 0.00 O ATOM 0 H GLU A 14 9.831 -4.721 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 14 9.730 -2.227 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.472 -4.438 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.401 -3.069 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.866 -2.258 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.748 -3.725 -6.486 1.00 0.00 H new ATOM 223 N GLU A 15 11.049 -2.277 -11.448 1.00 0.00 N ATOM 224 CA GLU A 15 11.416 -1.439 -12.578 1.00 0.00 C ATOM 225 C GLU A 15 10.304 -0.432 -12.875 1.00 0.00 C ATOM 226 O GLU A 15 10.577 0.715 -13.221 1.00 0.00 O ATOM 227 CB GLU A 15 11.731 -2.288 -13.811 1.00 0.00 C ATOM 228 CG GLU A 15 12.947 -3.186 -13.562 1.00 0.00 C ATOM 229 CD GLU A 15 14.224 -2.542 -14.105 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.703 -1.592 -13.448 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.692 -3.012 -15.163 1.00 0.00 O ATOM 0 H GLU A 15 11.155 -3.279 -11.608 1.00 0.00 H new ATOM 0 HA GLU A 15 12.319 -0.887 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.867 -2.902 -14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.923 -1.638 -14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.055 -3.371 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.792 -4.154 -14.039 1.00 0.00 H new ATOM 238 N ILE A 16 9.072 -0.899 -12.729 1.00 0.00 N ATOM 239 CA ILE A 16 7.918 -0.053 -12.979 1.00 0.00 C ATOM 240 C ILE A 16 7.651 0.815 -11.747 1.00 0.00 C ATOM 241 O ILE A 16 7.224 1.962 -11.871 1.00 0.00 O ATOM 242 CB ILE A 16 6.716 -0.898 -13.407 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.122 -1.932 -14.460 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.566 -0.012 -13.887 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.734 -3.346 -14.017 1.00 0.00 C ATOM 0 H ILE A 16 8.849 -1.852 -12.441 1.00 0.00 H new ATOM 0 HA ILE A 16 8.115 0.624 -13.811 1.00 0.00 H new ATOM 0 HB ILE A 16 6.356 -1.447 -12.537 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.639 -1.699 -15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.198 -1.882 -14.629 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.725 -0.638 -14.185 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.257 0.652 -13.080 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.896 0.583 -14.739 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.033 -4.062 -14.782 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.237 -3.585 -13.080 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.655 -3.399 -13.873 1.00 0.00 H new ATOM 257 N GLN A 17 7.914 0.234 -10.585 1.00 0.00 N ATOM 258 CA GLN A 17 7.708 0.940 -9.332 1.00 0.00 C ATOM 259 C GLN A 17 8.638 2.152 -9.245 1.00 0.00 C ATOM 260 O GLN A 17 8.258 3.193 -8.713 1.00 0.00 O ATOM 261 CB GLN A 17 7.912 0.006 -8.138 1.00 0.00 C ATOM 262 CG GLN A 17 6.951 0.355 -6.999 1.00 0.00 C ATOM 263 CD GLN A 17 7.688 1.057 -5.856 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.727 0.620 -5.390 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.092 2.170 -5.433 1.00 0.00 N ATOM 0 H GLN A 17 8.268 -0.717 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 17 6.678 1.295 -9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.754 -1.027 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.941 0.079 -7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.156 0.999 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.477 -0.553 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.223 2.480 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.505 2.713 -4.674 1.00 0.00 H new ATOM 274 N LYS A 18 9.838 1.975 -9.778 1.00 0.00 N ATOM 275 CA LYS A 18 10.825 3.040 -9.767 1.00 0.00 C ATOM 276 C LYS A 18 10.353 4.176 -10.677 1.00 0.00 C ATOM 277 O LYS A 18 10.656 5.342 -10.429 1.00 0.00 O ATOM 278 CB LYS A 18 12.208 2.495 -10.132 1.00 0.00 C ATOM 279 CG LYS A 18 12.591 1.323 -9.226 1.00 0.00 C ATOM 280 CD LYS A 18 13.365 1.809 -8.000 1.00 0.00 C ATOM 281 CE LYS A 18 14.773 2.271 -8.386 1.00 0.00 C ATOM 282 NZ LYS A 18 15.744 1.168 -8.217 1.00 0.00 N ATOM 0 H LYS A 18 10.149 1.110 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 18 10.926 3.454 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.212 2.171 -11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.951 3.287 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.692 0.796 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.198 0.610 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.826 2.630 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.431 1.006 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.779 2.613 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.066 3.120 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.694 1.498 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.750 0.860 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.472 0.370 -8.825 1.00 0.00 H new ATOM 296 N HIS A 19 9.617 3.796 -11.712 1.00 0.00 N ATOM 297 CA HIS A 19 9.100 4.767 -12.660 1.00 0.00 C ATOM 298 C HIS A 19 7.642 5.089 -12.322 1.00 0.00 C ATOM 299 O HIS A 19 6.731 4.393 -12.764 1.00 0.00 O ATOM 300 CB HIS A 19 9.280 4.274 -14.097 1.00 0.00 C ATOM 301 CG HIS A 19 10.679 4.452 -14.637 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.941 4.718 -15.969 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.890 4.399 -14.010 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.252 4.818 -16.127 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.839 4.621 -14.911 1.00 0.00 N ATOM 0 H HIS A 19 9.367 2.828 -11.914 1.00 0.00 H new ATOM 0 HA HIS A 19 9.668 5.694 -12.582 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.015 3.218 -14.144 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.582 4.806 -14.743 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.242 4.820 -16.705 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.049 4.209 -12.959 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.766 5.020 -17.055 1.00 0.00 H new ATOM 314 N ASN A 20 7.470 6.144 -11.539 1.00 0.00 N ATOM 315 CA ASN A 20 6.139 6.566 -11.136 1.00 0.00 C ATOM 316 C ASN A 20 6.104 8.092 -11.028 1.00 0.00 C ATOM 317 O ASN A 20 5.255 8.649 -10.333 1.00 0.00 O ATOM 318 CB ASN A 20 5.768 5.987 -9.770 1.00 0.00 C ATOM 319 CG ASN A 20 4.596 6.751 -9.150 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.610 7.126 -7.989 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.583 6.958 -9.987 1.00 0.00 N ATOM 0 H ASN A 20 8.229 6.719 -11.173 1.00 0.00 H new ATOM 0 HA ASN A 20 5.431 6.209 -11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.505 4.935 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.630 6.034 -9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.753 7.458 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.637 6.617 -10.947 1.00 0.00 H new ATOM 328 N ASN A 21 7.035 8.724 -11.726 1.00 0.00 N ATOM 329 CA ASN A 21 7.121 10.175 -11.717 1.00 0.00 C ATOM 330 C ASN A 21 6.659 10.716 -13.071 1.00 0.00 C ATOM 331 O ASN A 21 6.632 9.985 -14.060 1.00 0.00 O ATOM 332 CB ASN A 21 8.562 10.639 -11.489 1.00 0.00 C ATOM 333 CG ASN A 21 8.747 11.170 -10.066 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.513 12.330 -9.772 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.180 10.256 -9.202 1.00 0.00 N ATOM 0 H ASN A 21 7.737 8.259 -12.302 1.00 0.00 H new ATOM 0 HA ASN A 21 6.490 10.546 -10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.247 9.809 -11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.815 11.418 -12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.336 10.510 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.356 9.301 -9.515 1.00 0.00 H new ATOM 342 N SER A 22 6.305 11.993 -13.072 1.00 0.00 N ATOM 343 CA SER A 22 5.843 12.642 -14.289 1.00 0.00 C ATOM 344 C SER A 22 6.934 12.576 -15.361 1.00 0.00 C ATOM 345 O SER A 22 6.662 12.791 -16.541 1.00 0.00 O ATOM 346 CB SER A 22 5.447 14.094 -14.021 1.00 0.00 C ATOM 347 OG SER A 22 4.941 14.733 -15.191 1.00 0.00 O ATOM 0 H SER A 22 6.329 12.596 -12.250 1.00 0.00 H new ATOM 0 HA SER A 22 4.959 12.114 -14.646 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.692 14.125 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.313 14.644 -13.653 1.00 0.00 H new ATOM 0 HG SER A 22 5.344 14.326 -15.986 1.00 0.00 H new ATOM 353 N LYS A 23 8.144 12.282 -14.911 1.00 0.00 N ATOM 354 CA LYS A 23 9.276 12.187 -15.817 1.00 0.00 C ATOM 355 C LYS A 23 9.440 10.735 -16.270 1.00 0.00 C ATOM 356 O LYS A 23 9.970 10.474 -17.350 1.00 0.00 O ATOM 357 CB LYS A 23 10.531 12.775 -15.170 1.00 0.00 C ATOM 358 CG LYS A 23 10.747 14.224 -15.609 1.00 0.00 C ATOM 359 CD LYS A 23 11.845 14.317 -16.672 1.00 0.00 C ATOM 360 CE LYS A 23 12.004 15.755 -17.172 1.00 0.00 C ATOM 361 NZ LYS A 23 13.389 16.230 -16.950 1.00 0.00 N ATOM 0 H LYS A 23 8.366 12.106 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 23 9.099 12.783 -16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.440 12.730 -14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.400 12.176 -15.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.817 14.630 -16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.018 14.833 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.789 13.966 -16.256 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.602 13.662 -17.509 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.761 15.806 -18.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.302 16.407 -16.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.480 17.207 -17.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.608 16.199 -15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.053 15.618 -17.466 1.00 0.00 H new ATOM 375 N SER A 24 8.978 9.828 -15.422 1.00 0.00 N ATOM 376 CA SER A 24 9.068 8.408 -15.723 1.00 0.00 C ATOM 377 C SER A 24 7.809 7.690 -15.232 1.00 0.00 C ATOM 378 O SER A 24 7.837 7.013 -14.205 1.00 0.00 O ATOM 379 CB SER A 24 10.315 7.788 -15.086 1.00 0.00 C ATOM 380 OG SER A 24 11.296 7.445 -16.060 1.00 0.00 O ATOM 0 H SER A 24 8.540 10.048 -14.527 1.00 0.00 H new ATOM 0 HA SER A 24 9.149 8.291 -16.804 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.744 8.490 -14.371 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.032 6.896 -14.527 1.00 0.00 H new ATOM 0 HG SER A 24 10.875 6.933 -16.782 1.00 0.00 H new ATOM 386 N THR A 25 6.736 7.861 -15.990 1.00 0.00 N ATOM 387 CA THR A 25 5.470 7.237 -15.646 1.00 0.00 C ATOM 388 C THR A 25 5.345 5.873 -16.328 1.00 0.00 C ATOM 389 O THR A 25 5.041 5.796 -17.516 1.00 0.00 O ATOM 390 CB THR A 25 4.348 8.209 -16.018 1.00 0.00 C ATOM 391 OG1 THR A 25 4.964 9.492 -15.959 1.00 0.00 O ATOM 392 CG2 THR A 25 3.250 8.272 -14.954 1.00 0.00 C ATOM 0 H THR A 25 6.717 8.423 -16.841 1.00 0.00 H new ATOM 0 HA THR A 25 5.405 7.037 -14.577 1.00 0.00 H new ATOM 0 HB THR A 25 3.912 7.911 -16.971 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.246 9.678 -15.039 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.479 8.976 -15.268 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.809 7.283 -14.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.679 8.602 -14.008 1.00 0.00 H new ATOM 400 N TRP A 26 5.584 4.832 -15.544 1.00 0.00 N ATOM 401 CA TRP A 26 5.503 3.476 -16.058 1.00 0.00 C ATOM 402 C TRP A 26 4.463 2.718 -15.229 1.00 0.00 C ATOM 403 O TRP A 26 4.406 2.871 -14.009 1.00 0.00 O ATOM 404 CB TRP A 26 6.877 2.803 -16.052 1.00 0.00 C ATOM 405 CG TRP A 26 7.584 2.822 -17.408 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.786 1.797 -18.247 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.181 3.969 -18.051 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.465 2.198 -19.381 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.713 3.560 -19.257 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.267 5.306 -17.627 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.369 4.428 -20.138 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.926 6.161 -18.519 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.467 5.766 -19.737 1.00 0.00 C ATOM 0 H TRP A 26 5.834 4.900 -14.557 1.00 0.00 H new ATOM 0 HA TRP A 26 5.185 3.478 -17.101 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.510 3.299 -15.317 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.762 1.769 -15.728 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.459 0.785 -18.060 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.735 1.604 -20.165 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.857 5.647 -16.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.778 4.084 -21.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.021 7.200 -18.241 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.961 6.488 -20.371 1.00 0.00 H new ATOM 424 N LEU A 27 3.666 1.919 -15.923 1.00 0.00 N ATOM 425 CA LEU A 27 2.632 1.138 -15.266 1.00 0.00 C ATOM 426 C LEU A 27 2.480 -0.203 -15.984 1.00 0.00 C ATOM 427 O LEU A 27 3.063 -0.413 -17.046 1.00 0.00 O ATOM 428 CB LEU A 27 1.332 1.940 -15.176 1.00 0.00 C ATOM 429 CG LEU A 27 0.337 1.735 -16.321 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.054 1.696 -17.671 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.515 0.484 -16.089 1.00 0.00 C ATOM 0 H LEU A 27 3.716 1.796 -16.934 1.00 0.00 H new ATOM 0 HA LEU A 27 2.915 0.918 -14.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.835 1.686 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.584 2.999 -15.126 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.341 2.589 -16.341 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.324 1.549 -18.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.581 2.637 -17.831 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.770 0.874 -17.679 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.214 0.361 -16.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.132 -0.391 -16.028 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.071 0.590 -15.157 1.00 0.00 H new ATOM 443 N ILE A 28 1.690 -1.077 -15.376 1.00 0.00 N ATOM 444 CA ILE A 28 1.452 -2.393 -15.945 1.00 0.00 C ATOM 445 C ILE A 28 -0.046 -2.573 -16.197 1.00 0.00 C ATOM 446 O ILE A 28 -0.857 -2.417 -15.285 1.00 0.00 O ATOM 447 CB ILE A 28 2.060 -3.478 -15.054 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.263 -2.941 -14.277 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.416 -4.723 -15.870 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.564 -3.816 -13.059 1.00 0.00 C ATOM 0 H ILE A 28 1.207 -0.899 -14.495 1.00 0.00 H new ATOM 0 HA ILE A 28 1.951 -2.487 -16.910 1.00 0.00 H new ATOM 0 HB ILE A 28 1.310 -3.776 -14.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.136 -2.907 -14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.065 -1.919 -13.955 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.846 -5.478 -15.212 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.516 -5.120 -16.339 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.140 -4.458 -16.641 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.424 -3.412 -12.524 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.698 -3.829 -12.397 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.785 -4.832 -13.386 1.00 0.00 H new ATOM 462 N LEU A 29 -0.370 -2.898 -17.441 1.00 0.00 N ATOM 463 CA LEU A 29 -1.756 -3.098 -17.824 1.00 0.00 C ATOM 464 C LEU A 29 -1.909 -4.482 -18.460 1.00 0.00 C ATOM 465 O LEU A 29 -1.301 -4.767 -19.490 1.00 0.00 O ATOM 466 CB LEU A 29 -2.235 -1.954 -18.721 1.00 0.00 C ATOM 467 CG LEU A 29 -3.607 -1.368 -18.384 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.249 -0.728 -19.616 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.515 -2.425 -17.750 1.00 0.00 C ATOM 0 H LEU A 29 0.304 -3.027 -18.195 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.401 -3.075 -16.946 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.498 -1.152 -18.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.257 -2.311 -19.751 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.467 -0.578 -17.646 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.223 -0.319 -19.348 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.609 0.073 -19.985 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.373 -1.481 -20.394 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.484 -1.982 -17.520 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.650 -3.253 -18.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.058 -2.794 -16.832 1.00 0.00 H new ATOM 481 N HIS A 30 -2.723 -5.306 -17.816 1.00 0.00 N ATOM 482 CA HIS A 30 -2.963 -6.653 -18.306 1.00 0.00 C ATOM 483 C HIS A 30 -1.650 -7.438 -18.315 1.00 0.00 C ATOM 484 O HIS A 30 -1.324 -8.097 -19.300 1.00 0.00 O ATOM 485 CB HIS A 30 -3.645 -6.621 -19.675 1.00 0.00 C ATOM 486 CG HIS A 30 -4.138 -7.968 -20.148 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.736 -9.159 -19.568 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.002 -8.299 -21.149 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.338 -10.156 -20.201 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.122 -9.620 -21.181 1.00 0.00 N ATOM 0 H HIS A 30 -3.224 -5.067 -16.960 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.650 -7.170 -17.636 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.488 -5.931 -19.633 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.944 -6.224 -20.409 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.504 -7.603 -21.805 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.227 -11.207 -19.980 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.704 -10.148 -21.831 1.00 0.00 H new ATOM 499 N TYR A 31 -0.932 -7.340 -17.206 1.00 0.00 N ATOM 500 CA TYR A 31 0.339 -8.031 -17.073 1.00 0.00 C ATOM 501 C TYR A 31 1.374 -7.466 -18.049 1.00 0.00 C ATOM 502 O TYR A 31 2.492 -7.972 -18.132 1.00 0.00 O ATOM 503 CB TYR A 31 0.063 -9.492 -17.432 1.00 0.00 C ATOM 504 CG TYR A 31 1.035 -10.076 -18.460 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.291 -10.489 -18.066 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.655 -10.188 -19.782 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.206 -11.037 -19.033 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.570 -10.738 -20.751 1.00 0.00 C ATOM 509 CZ TYR A 31 2.799 -11.134 -20.327 1.00 0.00 C ATOM 510 OH TYR A 31 3.664 -11.653 -21.240 1.00 0.00 O ATOM 0 H TYR A 31 -1.207 -6.792 -16.391 1.00 0.00 H new ATOM 0 HA TYR A 31 0.736 -7.915 -16.064 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.107 -10.093 -16.524 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.952 -9.574 -17.820 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.588 -10.401 -17.031 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.328 -9.864 -20.091 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.192 -11.363 -18.738 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.286 -10.833 -21.789 1.00 0.00 H new ATOM 0 HH TYR A 31 3.667 -11.092 -22.044 1.00 0.00 H new ATOM 520 N LYS A 32 0.966 -6.426 -18.759 1.00 0.00 N ATOM 521 CA LYS A 32 1.845 -5.788 -19.724 1.00 0.00 C ATOM 522 C LYS A 32 2.359 -4.467 -19.145 1.00 0.00 C ATOM 523 O LYS A 32 1.769 -3.925 -18.212 1.00 0.00 O ATOM 524 CB LYS A 32 1.137 -5.632 -21.072 1.00 0.00 C ATOM 525 CG LYS A 32 1.341 -6.874 -21.944 1.00 0.00 C ATOM 526 CD LYS A 32 0.027 -7.307 -22.598 1.00 0.00 C ATOM 527 CE LYS A 32 0.252 -7.735 -24.049 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.879 -7.301 -24.898 1.00 0.00 N ATOM 0 H LYS A 32 0.038 -6.009 -18.686 1.00 0.00 H new ATOM 0 HA LYS A 32 2.716 -6.414 -19.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.072 -5.467 -20.911 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.521 -4.753 -21.589 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.083 -6.664 -22.714 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.735 -7.689 -21.336 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.409 -8.132 -22.035 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.688 -6.485 -22.564 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.181 -7.303 -24.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.360 -8.818 -24.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.710 -7.599 -25.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.759 -7.733 -24.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.964 -6.265 -24.861 1.00 0.00 H new ATOM 542 N VAL A 33 3.451 -3.990 -19.721 1.00 0.00 N ATOM 543 CA VAL A 33 4.051 -2.745 -19.274 1.00 0.00 C ATOM 544 C VAL A 33 3.846 -1.672 -20.345 1.00 0.00 C ATOM 545 O VAL A 33 4.079 -1.918 -21.528 1.00 0.00 O ATOM 546 CB VAL A 33 5.523 -2.968 -18.924 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.152 -1.695 -18.356 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.685 -4.140 -17.954 1.00 0.00 C ATOM 0 H VAL A 33 3.937 -4.444 -20.495 1.00 0.00 H new ATOM 0 HA VAL A 33 3.566 -2.393 -18.364 1.00 0.00 H new ATOM 0 HB VAL A 33 6.051 -3.219 -19.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.199 -1.882 -18.116 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.086 -0.896 -19.094 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.620 -1.398 -17.452 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.741 -4.277 -17.722 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.136 -3.931 -17.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.294 -5.048 -18.412 1.00 0.00 H new ATOM 558 N TYR A 34 3.413 -0.504 -19.893 1.00 0.00 N ATOM 559 CA TYR A 34 3.177 0.608 -20.799 1.00 0.00 C ATOM 560 C TYR A 34 3.831 1.889 -20.278 1.00 0.00 C ATOM 561 O TYR A 34 4.078 2.021 -19.080 1.00 0.00 O ATOM 562 CB TYR A 34 1.659 0.804 -20.836 1.00 0.00 C ATOM 563 CG TYR A 34 0.875 -0.472 -21.148 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.977 -1.566 -20.314 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.063 -0.526 -22.263 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.239 -2.768 -20.608 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.676 -1.728 -22.556 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.552 -2.788 -21.714 1.00 0.00 C ATOM 569 OH TYR A 34 -1.249 -3.922 -21.992 1.00 0.00 O ATOM 0 H TYR A 34 3.219 -0.303 -18.912 1.00 0.00 H new ATOM 0 HA TYR A 34 3.597 0.398 -21.783 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.330 1.194 -19.873 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.418 1.558 -21.585 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.610 -1.522 -19.440 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.018 0.331 -22.915 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.312 -3.633 -19.965 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.314 -1.785 -23.425 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.587 -4.311 -21.158 1.00 0.00 H new ATOM 579 N ASP A 35 4.095 2.798 -21.204 1.00 0.00 N ATOM 580 CA ASP A 35 4.718 4.064 -20.854 1.00 0.00 C ATOM 581 C ASP A 35 3.630 5.112 -20.613 1.00 0.00 C ATOM 582 O ASP A 35 3.151 5.743 -21.554 1.00 0.00 O ATOM 583 CB ASP A 35 5.617 4.566 -21.984 1.00 0.00 C ATOM 584 CG ASP A 35 7.119 4.497 -21.697 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.622 3.359 -21.584 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.727 5.584 -21.596 1.00 0.00 O ATOM 0 H ASP A 35 3.889 2.684 -22.196 1.00 0.00 H new ATOM 0 HA ASP A 35 5.319 3.909 -19.958 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.407 3.983 -22.881 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.352 5.600 -22.206 1.00 0.00 H new ATOM 591 N LEU A 36 3.272 5.266 -19.346 1.00 0.00 N ATOM 592 CA LEU A 36 2.249 6.227 -18.970 1.00 0.00 C ATOM 593 C LEU A 36 2.720 7.637 -19.334 1.00 0.00 C ATOM 594 O LEU A 36 1.912 8.495 -19.685 1.00 0.00 O ATOM 595 CB LEU A 36 1.879 6.066 -17.493 1.00 0.00 C ATOM 596 CG LEU A 36 0.878 4.955 -17.171 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.117 5.262 -15.879 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.067 4.709 -18.348 1.00 0.00 C ATOM 0 H LEU A 36 3.672 4.742 -18.568 1.00 0.00 H new ATOM 0 HA LEU A 36 1.331 6.043 -19.528 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.792 5.880 -16.928 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.470 7.011 -17.136 1.00 0.00 H new ATOM 0 HG LEU A 36 1.433 4.032 -17.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.588 4.457 -15.672 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.823 5.347 -15.053 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.426 6.200 -15.991 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.768 3.914 -18.092 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.619 5.623 -18.569 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.511 4.414 -19.224 1.00 0.00 H new ATOM 610 N THR A 37 4.028 7.832 -19.238 1.00 0.00 N ATOM 611 CA THR A 37 4.616 9.123 -19.554 1.00 0.00 C ATOM 612 C THR A 37 4.108 9.624 -20.906 1.00 0.00 C ATOM 613 O THR A 37 3.949 10.828 -21.107 1.00 0.00 O ATOM 614 CB THR A 37 6.138 8.975 -19.495 1.00 0.00 C ATOM 615 OG1 THR A 37 6.490 9.512 -18.223 1.00 0.00 O ATOM 616 CG2 THR A 37 6.854 9.886 -20.495 1.00 0.00 C ATOM 0 H THR A 37 4.696 7.118 -18.946 1.00 0.00 H new ATOM 0 HA THR A 37 4.319 9.881 -18.829 1.00 0.00 H new ATOM 0 HB THR A 37 6.410 7.938 -19.690 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.707 9.498 -17.634 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.931 9.742 -20.412 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.532 9.640 -21.507 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.609 10.926 -20.279 1.00 0.00 H new ATOM 624 N LYS A 38 3.865 8.676 -21.800 1.00 0.00 N ATOM 625 CA LYS A 38 3.377 9.009 -23.128 1.00 0.00 C ATOM 626 C LYS A 38 1.859 9.190 -23.078 1.00 0.00 C ATOM 627 O LYS A 38 1.301 9.993 -23.824 1.00 0.00 O ATOM 628 CB LYS A 38 3.838 7.962 -24.146 1.00 0.00 C ATOM 629 CG LYS A 38 4.213 8.618 -25.476 1.00 0.00 C ATOM 630 CD LYS A 38 5.698 8.419 -25.786 1.00 0.00 C ATOM 631 CE LYS A 38 6.535 9.568 -25.220 1.00 0.00 C ATOM 632 NZ LYS A 38 7.811 9.056 -24.671 1.00 0.00 N ATOM 0 H LYS A 38 3.997 7.679 -21.631 1.00 0.00 H new ATOM 0 HA LYS A 38 3.801 9.956 -23.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.696 7.418 -23.750 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.044 7.232 -24.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.610 8.192 -26.278 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.986 9.683 -25.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.038 7.474 -25.363 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.843 8.356 -26.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.736 10.300 -26.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.976 10.083 -24.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.368 9.848 -24.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.613 8.375 -23.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.350 8.585 -25.426 1.00 0.00 H new ATOM 646 N PHE A 39 1.233 8.429 -22.192 1.00 0.00 N ATOM 647 CA PHE A 39 -0.210 8.496 -22.035 1.00 0.00 C ATOM 648 C PHE A 39 -0.626 9.793 -21.341 1.00 0.00 C ATOM 649 O PHE A 39 -1.784 10.202 -21.424 1.00 0.00 O ATOM 650 CB PHE A 39 -0.621 7.309 -21.161 1.00 0.00 C ATOM 651 CG PHE A 39 -1.384 6.217 -21.912 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.620 6.475 -22.417 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.827 4.987 -22.075 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.328 5.462 -23.116 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.536 3.973 -22.772 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.770 4.232 -23.279 1.00 0.00 C ATOM 0 H PHE A 39 1.699 7.763 -21.576 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.692 8.468 -23.012 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.273 6.872 -20.716 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.241 7.672 -20.341 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.063 7.451 -22.286 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.155 4.781 -21.674 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.309 5.668 -23.518 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.094 2.996 -22.899 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.308 3.461 -23.811 1.00 0.00 H new ATOM 666 N LEU A 40 0.339 10.406 -20.671 1.00 0.00 N ATOM 667 CA LEU A 40 0.088 11.649 -19.963 1.00 0.00 C ATOM 668 C LEU A 40 -0.715 12.590 -20.863 1.00 0.00 C ATOM 669 O LEU A 40 -1.562 13.341 -20.382 1.00 0.00 O ATOM 670 CB LEU A 40 1.399 12.252 -19.457 1.00 0.00 C ATOM 671 CG LEU A 40 1.496 12.477 -17.947 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.760 11.160 -17.213 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.548 13.537 -17.617 1.00 0.00 C ATOM 0 H LEU A 40 1.298 10.064 -20.604 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.515 11.466 -19.074 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.217 11.598 -19.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.553 13.208 -19.957 1.00 0.00 H new ATOM 0 HG LEU A 40 0.536 12.856 -17.596 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.825 11.347 -16.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.945 10.463 -17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.698 10.730 -17.563 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.597 13.678 -16.537 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.521 13.211 -17.985 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.277 14.479 -18.094 1.00 0.00 H new ATOM 685 N GLU A 41 -0.423 12.517 -22.153 1.00 0.00 N ATOM 686 CA GLU A 41 -1.108 13.353 -23.125 1.00 0.00 C ATOM 687 C GLU A 41 -2.485 12.772 -23.446 1.00 0.00 C ATOM 688 O GLU A 41 -3.410 13.509 -23.788 1.00 0.00 O ATOM 689 CB GLU A 41 -0.270 13.516 -24.394 1.00 0.00 C ATOM 690 CG GLU A 41 0.562 14.799 -24.342 1.00 0.00 C ATOM 691 CD GLU A 41 1.332 15.007 -25.648 1.00 0.00 C ATOM 692 OE1 GLU A 41 2.348 14.301 -25.826 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.887 15.868 -26.438 1.00 0.00 O ATOM 0 H GLU A 41 0.279 11.892 -22.548 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.246 14.344 -22.692 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.389 12.656 -24.512 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.924 13.538 -25.266 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.091 15.653 -24.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.261 14.750 -23.507 1.00 0.00 H new ATOM 700 N GLU A 42 -2.581 11.456 -23.327 1.00 0.00 N ATOM 701 CA GLU A 42 -3.831 10.769 -23.602 1.00 0.00 C ATOM 702 C GLU A 42 -4.785 10.907 -22.414 1.00 0.00 C ATOM 703 O GLU A 42 -4.587 11.761 -21.550 1.00 0.00 O ATOM 704 CB GLU A 42 -3.584 9.296 -23.938 1.00 0.00 C ATOM 705 CG GLU A 42 -3.854 9.019 -25.417 1.00 0.00 C ATOM 706 CD GLU A 42 -5.276 9.433 -25.802 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.194 8.626 -25.538 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.414 10.548 -26.351 1.00 0.00 O ATOM 0 H GLU A 42 -1.813 10.847 -23.044 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.295 11.234 -24.472 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.554 9.032 -23.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.227 8.666 -23.323 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.135 9.563 -26.030 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.712 7.958 -25.624 1.00 0.00 H new ATOM 715 N HIS A 43 -5.800 10.056 -22.409 1.00 0.00 N ATOM 716 CA HIS A 43 -6.786 10.073 -21.342 1.00 0.00 C ATOM 717 C HIS A 43 -7.736 11.256 -21.540 1.00 0.00 C ATOM 718 O HIS A 43 -7.461 12.151 -22.336 1.00 0.00 O ATOM 719 CB HIS A 43 -6.103 10.083 -19.972 1.00 0.00 C ATOM 720 CG HIS A 43 -6.417 8.876 -19.121 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.040 8.971 -17.888 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.188 7.550 -19.336 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.174 7.749 -17.393 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.646 6.870 -18.291 1.00 0.00 N ATOM 0 H HIS A 43 -5.961 9.350 -23.127 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.384 9.162 -21.379 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.024 10.143 -20.116 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.403 10.982 -19.434 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.344 9.834 -17.438 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.714 7.124 -20.208 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.623 7.494 -16.444 1.00 0.00 H new ATOM 733 N PRO A 44 -8.864 11.219 -20.780 1.00 0.00 N ATOM 734 CA PRO A 44 -9.858 12.277 -20.864 1.00 0.00 C ATOM 735 C PRO A 44 -9.375 13.539 -20.149 1.00 0.00 C ATOM 736 O PRO A 44 -10.075 14.078 -19.293 1.00 0.00 O ATOM 737 CB PRO A 44 -11.114 11.687 -20.246 1.00 0.00 C ATOM 738 CG PRO A 44 -10.653 10.495 -19.421 1.00 0.00 C ATOM 739 CD PRO A 44 -9.223 10.175 -19.826 1.00 0.00 C ATOM 0 HA PRO A 44 -10.048 12.596 -21.889 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.624 12.421 -19.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.821 11.379 -21.017 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.707 10.723 -18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.301 9.636 -19.596 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.557 10.181 -18.963 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.152 9.185 -20.277 1.00 0.00 H new ATOM 747 N GLY A 45 -8.181 13.976 -20.525 1.00 0.00 N ATOM 748 CA GLY A 45 -7.598 15.166 -19.930 1.00 0.00 C ATOM 749 C GLY A 45 -7.181 14.906 -18.481 1.00 0.00 C ATOM 750 O GLY A 45 -7.698 15.534 -17.559 1.00 0.00 O ATOM 0 H GLY A 45 -7.602 13.527 -21.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.731 15.480 -20.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.318 15.984 -19.964 1.00 0.00 H new ATOM 754 N GLY A 46 -6.247 13.977 -18.324 1.00 0.00 N ATOM 755 CA GLY A 46 -5.755 13.626 -17.004 1.00 0.00 C ATOM 756 C GLY A 46 -4.379 12.963 -17.090 1.00 0.00 C ATOM 757 O GLY A 46 -4.151 12.107 -17.941 1.00 0.00 O ATOM 0 H GLY A 46 -5.819 13.458 -19.090 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.693 14.521 -16.385 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.458 12.950 -16.518 1.00 0.00 H new ATOM 761 N GLU A 47 -3.497 13.387 -16.195 1.00 0.00 N ATOM 762 CA GLU A 47 -2.149 12.846 -16.160 1.00 0.00 C ATOM 763 C GLU A 47 -1.963 11.968 -14.919 1.00 0.00 C ATOM 764 O GLU A 47 -1.579 10.805 -15.031 1.00 0.00 O ATOM 765 CB GLU A 47 -1.108 13.966 -16.200 1.00 0.00 C ATOM 766 CG GLU A 47 -1.033 14.596 -17.592 1.00 0.00 C ATOM 767 CD GLU A 47 -1.856 15.885 -17.655 1.00 0.00 C ATOM 768 OE1 GLU A 47 -3.033 15.828 -17.239 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.290 16.898 -18.119 1.00 0.00 O ATOM 0 H GLU A 47 -3.690 14.098 -15.490 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.003 12.227 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.362 14.730 -15.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.131 13.569 -15.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.006 14.811 -17.842 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.400 13.889 -18.336 1.00 0.00 H new ATOM 776 N GLU A 48 -2.242 12.559 -13.768 1.00 0.00 N ATOM 777 CA GLU A 48 -2.110 11.845 -12.510 1.00 0.00 C ATOM 778 C GLU A 48 -2.861 10.514 -12.572 1.00 0.00 C ATOM 779 O GLU A 48 -2.336 9.480 -12.162 1.00 0.00 O ATOM 780 CB GLU A 48 -2.604 12.699 -11.340 1.00 0.00 C ATOM 781 CG GLU A 48 -1.576 12.726 -10.208 1.00 0.00 C ATOM 782 CD GLU A 48 -1.696 14.012 -9.387 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.264 15.061 -9.910 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.218 13.916 -8.255 1.00 0.00 O ATOM 0 H GLU A 48 -2.559 13.524 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.053 11.635 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.799 13.715 -11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.549 12.302 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.721 11.862 -9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.571 12.648 -10.623 1.00 0.00 H new ATOM 791 N VAL A 49 -4.079 10.583 -13.089 1.00 0.00 N ATOM 792 CA VAL A 49 -4.908 9.397 -13.211 1.00 0.00 C ATOM 793 C VAL A 49 -4.038 8.212 -13.640 1.00 0.00 C ATOM 794 O VAL A 49 -4.339 7.066 -13.311 1.00 0.00 O ATOM 795 CB VAL A 49 -6.068 9.665 -14.173 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.553 9.953 -15.585 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.058 8.498 -14.177 1.00 0.00 C ATOM 0 H VAL A 49 -4.511 11.442 -13.428 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.353 9.143 -12.249 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.597 10.551 -13.822 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.397 10.140 -16.249 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.906 10.830 -15.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.989 9.094 -15.949 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.872 8.714 -14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.547 7.588 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.461 8.359 -13.174 1.00 0.00 H new ATOM 807 N LEU A 50 -2.977 8.532 -14.367 1.00 0.00 N ATOM 808 CA LEU A 50 -2.062 7.510 -14.844 1.00 0.00 C ATOM 809 C LEU A 50 -0.842 7.455 -13.922 1.00 0.00 C ATOM 810 O LEU A 50 -0.300 6.379 -13.670 1.00 0.00 O ATOM 811 CB LEU A 50 -1.711 7.749 -16.314 1.00 0.00 C ATOM 812 CG LEU A 50 -2.878 7.677 -17.303 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.940 8.938 -18.167 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.801 6.405 -18.148 1.00 0.00 C ATOM 0 H LEU A 50 -2.731 9.484 -14.637 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.535 6.528 -14.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.247 8.731 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.962 7.015 -16.612 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.807 7.630 -16.735 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.777 8.863 -18.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.076 9.811 -17.528 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.011 9.041 -18.728 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.641 6.378 -18.842 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.866 6.397 -18.709 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.841 5.532 -17.496 1.00 0.00 H new ATOM 826 N ARG A 51 -0.447 8.624 -13.444 1.00 0.00 N ATOM 827 CA ARG A 51 0.698 8.722 -12.556 1.00 0.00 C ATOM 828 C ARG A 51 0.389 8.051 -11.215 1.00 0.00 C ATOM 829 O ARG A 51 1.245 7.379 -10.642 1.00 0.00 O ATOM 830 CB ARG A 51 1.084 10.182 -12.310 1.00 0.00 C ATOM 831 CG ARG A 51 2.568 10.308 -11.968 1.00 0.00 C ATOM 832 CD ARG A 51 2.762 10.972 -10.603 1.00 0.00 C ATOM 833 NE ARG A 51 2.910 12.435 -10.768 1.00 0.00 N ATOM 834 CZ ARG A 51 2.695 13.327 -9.791 1.00 0.00 C ATOM 835 NH1 ARG A 51 2.322 12.910 -8.573 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.852 14.636 -10.031 1.00 0.00 N ATOM 0 H ARG A 51 -0.900 9.513 -13.655 1.00 0.00 H new ATOM 0 HA ARG A 51 1.534 8.214 -13.038 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.860 10.775 -13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.484 10.588 -11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.029 9.320 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.073 10.893 -12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.910 10.755 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.645 10.562 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 51 3.193 12.787 -11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.202 11.914 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.158 13.589 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.135 14.954 -10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.688 15.314 -9.287 1.00 0.00 H new ATOM 850 N GLU A 52 -0.836 8.258 -10.756 1.00 0.00 N ATOM 851 CA GLU A 52 -1.269 7.682 -9.494 1.00 0.00 C ATOM 852 C GLU A 52 -1.274 6.154 -9.582 1.00 0.00 C ATOM 853 O GLU A 52 -1.350 5.470 -8.562 1.00 0.00 O ATOM 854 CB GLU A 52 -2.647 8.212 -9.093 1.00 0.00 C ATOM 855 CG GLU A 52 -3.735 7.670 -10.022 1.00 0.00 C ATOM 856 CD GLU A 52 -5.127 8.054 -9.517 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.509 9.224 -9.735 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.779 7.166 -8.924 1.00 0.00 O ATOM 0 H GLU A 52 -1.543 8.816 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.562 7.980 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.866 7.925 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.645 9.301 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.588 8.063 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.655 6.585 -10.088 1.00 0.00 H new ATOM 865 N GLN A 53 -1.193 5.664 -10.811 1.00 0.00 N ATOM 866 CA GLN A 53 -1.187 4.230 -11.044 1.00 0.00 C ATOM 867 C GLN A 53 0.208 3.766 -11.468 1.00 0.00 C ATOM 868 O GLN A 53 0.532 2.584 -11.364 1.00 0.00 O ATOM 869 CB GLN A 53 -2.234 3.841 -12.090 1.00 0.00 C ATOM 870 CG GLN A 53 -2.024 4.617 -13.392 1.00 0.00 C ATOM 871 CD GLN A 53 -3.097 4.261 -14.423 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.988 3.299 -15.164 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.138 5.088 -14.426 1.00 0.00 N ATOM 0 H GLN A 53 -1.131 6.234 -11.655 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.447 3.729 -10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.176 2.771 -12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.233 4.040 -11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.051 5.688 -13.189 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.037 4.394 -13.797 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.166 5.875 -13.778 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.909 4.935 -15.076 1.00 0.00 H new ATOM 882 N ALA A 54 0.998 4.722 -11.937 1.00 0.00 N ATOM 883 CA ALA A 54 2.351 4.426 -12.376 1.00 0.00 C ATOM 884 C ALA A 54 3.188 3.986 -11.174 1.00 0.00 C ATOM 885 O ALA A 54 3.188 4.649 -10.138 1.00 0.00 O ATOM 886 CB ALA A 54 2.938 5.653 -13.078 1.00 0.00 C ATOM 0 H ALA A 54 0.727 5.701 -12.022 1.00 0.00 H new ATOM 0 HA ALA A 54 2.352 3.607 -13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.953 5.432 -13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.323 5.907 -13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.956 6.494 -12.385 1.00 0.00 H new ATOM 892 N GLY A 55 3.880 2.871 -11.352 1.00 0.00 N ATOM 893 CA GLY A 55 4.720 2.334 -10.295 1.00 0.00 C ATOM 894 C GLY A 55 4.305 0.906 -9.937 1.00 0.00 C ATOM 895 O GLY A 55 4.725 0.373 -8.912 1.00 0.00 O ATOM 0 H GLY A 55 3.876 2.324 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.762 2.345 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.650 2.969 -9.412 1.00 0.00 H new ATOM 899 N GLY A 56 3.484 0.328 -10.802 1.00 0.00 N ATOM 900 CA GLY A 56 3.007 -1.028 -10.589 1.00 0.00 C ATOM 901 C GLY A 56 1.865 -1.365 -11.550 1.00 0.00 C ATOM 902 O GLY A 56 1.517 -0.559 -12.412 1.00 0.00 O ATOM 0 H GLY A 56 3.137 0.774 -11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.827 -1.732 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.666 -1.140 -9.560 1.00 0.00 H new ATOM 906 N ASP A 57 1.313 -2.555 -11.369 1.00 0.00 N ATOM 907 CA ASP A 57 0.217 -3.007 -12.209 1.00 0.00 C ATOM 908 C ASP A 57 -1.053 -2.239 -11.841 1.00 0.00 C ATOM 909 O ASP A 57 -1.561 -2.368 -10.728 1.00 0.00 O ATOM 910 CB ASP A 57 -0.056 -4.498 -12.001 1.00 0.00 C ATOM 911 CG ASP A 57 -1.498 -4.935 -12.267 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.386 -4.428 -11.546 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.682 -5.765 -13.182 1.00 0.00 O ATOM 0 H ASP A 57 1.604 -3.220 -10.653 1.00 0.00 H new ATOM 0 HA ASP A 57 0.494 -2.832 -13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.606 -5.068 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.204 -4.760 -10.975 1.00 0.00 H new ATOM 918 N ALA A 58 -1.528 -1.454 -12.797 1.00 0.00 N ATOM 919 CA ALA A 58 -2.731 -0.664 -12.588 1.00 0.00 C ATOM 920 C ALA A 58 -3.950 -1.468 -13.043 1.00 0.00 C ATOM 921 O ALA A 58 -5.081 -1.142 -12.683 1.00 0.00 O ATOM 922 CB ALA A 58 -2.600 0.669 -13.327 1.00 0.00 C ATOM 0 H ALA A 58 -1.102 -1.348 -13.718 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.864 -0.438 -11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.501 1.262 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.737 1.214 -12.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.468 0.483 -14.393 1.00 0.00 H new ATOM 928 N THR A 59 -3.679 -2.502 -13.826 1.00 0.00 N ATOM 929 CA THR A 59 -4.740 -3.355 -14.333 1.00 0.00 C ATOM 930 C THR A 59 -5.763 -3.643 -13.233 1.00 0.00 C ATOM 931 O THR A 59 -6.969 -3.629 -13.482 1.00 0.00 O ATOM 932 CB THR A 59 -4.098 -4.616 -14.912 1.00 0.00 C ATOM 933 OG1 THR A 59 -4.978 -5.003 -15.963 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.139 -5.795 -13.937 1.00 0.00 C ATOM 0 H THR A 59 -2.740 -2.768 -14.122 1.00 0.00 H new ATOM 0 HA THR A 59 -5.297 -2.863 -15.130 1.00 0.00 H new ATOM 0 HB THR A 59 -3.063 -4.405 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.833 -5.948 -16.180 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.670 -6.665 -14.398 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.601 -5.533 -13.026 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.175 -6.029 -13.692 1.00 0.00 H new ATOM 942 N GLU A 60 -5.246 -3.900 -12.040 1.00 0.00 N ATOM 943 CA GLU A 60 -6.101 -4.192 -10.902 1.00 0.00 C ATOM 944 C GLU A 60 -7.148 -3.091 -10.727 1.00 0.00 C ATOM 945 O GLU A 60 -8.314 -3.375 -10.459 1.00 0.00 O ATOM 946 CB GLU A 60 -5.273 -4.370 -9.627 1.00 0.00 C ATOM 947 CG GLU A 60 -4.233 -3.256 -9.489 1.00 0.00 C ATOM 948 CD GLU A 60 -4.505 -2.400 -8.252 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.699 -2.121 -8.007 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.516 -2.042 -7.579 1.00 0.00 O ATOM 0 H GLU A 60 -4.246 -3.912 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.620 -5.131 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.931 -4.368 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.773 -5.339 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.236 -3.691 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.247 -2.628 -10.380 1.00 0.00 H new ATOM 957 N ASN A 61 -6.695 -1.856 -10.886 1.00 0.00 N ATOM 958 CA ASN A 61 -7.578 -0.711 -10.749 1.00 0.00 C ATOM 959 C ASN A 61 -8.264 -0.437 -12.090 1.00 0.00 C ATOM 960 O ASN A 61 -9.480 -0.266 -12.144 1.00 0.00 O ATOM 961 CB ASN A 61 -6.795 0.543 -10.354 1.00 0.00 C ATOM 962 CG ASN A 61 -7.394 1.190 -9.104 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.597 1.350 -8.970 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.490 1.555 -8.198 1.00 0.00 N ATOM 0 H ASN A 61 -5.727 -1.624 -11.109 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.309 -0.940 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.753 0.283 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.804 1.257 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.789 1.998 -7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.498 1.392 -8.373 1.00 0.00 H new ATOM 971 N PHE A 62 -7.453 -0.406 -13.137 1.00 0.00 N ATOM 972 CA PHE A 62 -7.966 -0.157 -14.474 1.00 0.00 C ATOM 973 C PHE A 62 -9.036 -1.183 -14.850 1.00 0.00 C ATOM 974 O PHE A 62 -9.755 -1.004 -15.832 1.00 0.00 O ATOM 975 CB PHE A 62 -6.786 -0.293 -15.438 1.00 0.00 C ATOM 976 CG PHE A 62 -7.100 -1.108 -16.693 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.374 -2.437 -16.592 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.104 -0.505 -17.912 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.665 -3.193 -17.758 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.395 -1.261 -19.079 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.669 -2.589 -18.976 1.00 0.00 C ATOM 0 H PHE A 62 -6.444 -0.549 -13.087 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.418 0.834 -14.521 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.457 0.702 -15.736 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.953 -0.760 -14.913 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.370 -2.917 -15.625 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.886 0.550 -17.993 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.883 -4.248 -17.677 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.399 -0.782 -20.047 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.890 -3.165 -19.863 1.00 0.00 H new ATOM 991 N GLU A 63 -9.111 -2.236 -14.047 1.00 0.00 N ATOM 992 CA GLU A 63 -10.082 -3.290 -14.283 1.00 0.00 C ATOM 993 C GLU A 63 -11.432 -2.917 -13.666 1.00 0.00 C ATOM 994 O GLU A 63 -12.481 -3.231 -14.223 1.00 0.00 O ATOM 995 CB GLU A 63 -9.581 -4.629 -13.739 1.00 0.00 C ATOM 996 CG GLU A 63 -8.856 -5.425 -14.825 1.00 0.00 C ATOM 997 CD GLU A 63 -9.850 -6.206 -15.688 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.966 -6.456 -15.184 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.472 -6.536 -16.833 1.00 0.00 O ATOM 0 H GLU A 63 -8.514 -2.381 -13.232 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.215 -3.400 -15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.908 -4.456 -12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.422 -5.209 -13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.278 -4.747 -15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.148 -6.115 -14.364 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.358 -2.251 -12.522 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.561 -1.832 -11.823 1.00 0.00 C ATOM 1008 C ASP A 64 -13.239 -0.710 -12.610 1.00 0.00 C ATOM 1009 O ASP A 64 -14.456 -0.723 -12.792 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.229 -1.297 -10.428 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.257 -0.325 -9.847 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.224 0.853 -10.263 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.055 -0.783 -8.999 1.00 0.00 O ATOM 0 H ASP A 64 -10.485 -1.992 -12.063 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.216 -2.698 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.124 -2.142 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.261 -0.798 -10.468 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.424 0.233 -13.057 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.930 1.361 -13.822 1.00 0.00 C ATOM 1020 C VAL A 65 -13.549 0.851 -15.125 1.00 0.00 C ATOM 1021 O VAL A 65 -14.198 1.607 -15.845 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.813 2.382 -14.049 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.442 1.705 -14.046 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.039 3.159 -15.349 1.00 0.00 C ATOM 0 H VAL A 65 -11.416 0.240 -12.904 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.715 1.877 -13.269 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.836 3.094 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.666 2.453 -14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.279 1.217 -13.085 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.402 0.961 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.232 3.878 -15.488 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.055 2.465 -16.189 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.991 3.687 -15.296 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.326 -0.429 -15.388 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.854 -1.049 -16.591 1.00 0.00 C ATOM 1036 C GLY A 66 -13.658 -0.141 -17.806 1.00 0.00 C ATOM 1037 O GLY A 66 -14.629 0.315 -18.409 1.00 0.00 O ATOM 0 H GLY A 66 -12.787 -1.053 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.356 -2.003 -16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.915 -1.262 -16.459 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.395 0.096 -18.131 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.059 0.942 -19.264 1.00 0.00 C ATOM 1043 C HIS A 67 -12.809 0.457 -20.506 1.00 0.00 C ATOM 1044 O HIS A 67 -13.600 -0.483 -20.431 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.545 0.999 -19.470 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.820 1.865 -18.466 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.170 1.346 -17.360 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.650 3.217 -18.414 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.639 2.351 -16.679 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.936 3.509 -17.333 1.00 0.00 N ATOM 0 H HIS A 67 -11.592 -0.283 -17.629 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.378 1.965 -19.066 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.143 -0.013 -19.419 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.339 1.373 -20.473 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.110 0.359 -17.111 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.031 3.930 -19.130 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.070 2.267 -15.765 1.00 0.00 H new ATOM 1059 N SER A 68 -12.532 1.118 -21.621 1.00 0.00 N ATOM 1060 CA SER A 68 -13.170 0.766 -22.878 1.00 0.00 C ATOM 1061 C SER A 68 -12.199 -0.030 -23.752 1.00 0.00 C ATOM 1062 O SER A 68 -10.997 0.225 -23.742 1.00 0.00 O ATOM 1063 CB SER A 68 -13.650 2.014 -23.621 1.00 0.00 C ATOM 1064 OG SER A 68 -12.630 2.574 -24.442 1.00 0.00 O ATOM 0 H SER A 68 -11.874 1.895 -21.680 1.00 0.00 H new ATOM 0 HA SER A 68 -14.041 0.149 -22.658 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.512 1.759 -24.238 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.984 2.759 -22.899 1.00 0.00 H new ATOM 0 HG SER A 68 -12.215 3.331 -23.978 1.00 0.00 H new ATOM 1070 N THR A 69 -12.758 -0.980 -24.488 1.00 0.00 N ATOM 1071 CA THR A 69 -11.957 -1.815 -25.367 1.00 0.00 C ATOM 1072 C THR A 69 -10.979 -0.958 -26.172 1.00 0.00 C ATOM 1073 O THR A 69 -9.949 -1.450 -26.632 1.00 0.00 O ATOM 1074 CB THR A 69 -12.910 -2.633 -26.241 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.317 -3.709 -25.399 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.193 -3.320 -27.404 1.00 0.00 C ATOM 0 H THR A 69 -13.756 -1.190 -24.493 1.00 0.00 H new ATOM 0 HA THR A 69 -11.339 -2.509 -24.797 1.00 0.00 H new ATOM 0 HB THR A 69 -13.693 -1.983 -26.631 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.939 -4.289 -25.887 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.915 -3.887 -27.992 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.721 -2.568 -28.036 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.432 -3.996 -27.014 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.334 0.310 -26.318 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.500 1.240 -27.060 1.00 0.00 C ATOM 1086 C ASP A 70 -9.307 1.650 -26.194 1.00 0.00 C ATOM 1087 O ASP A 70 -8.166 1.626 -26.652 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.277 2.507 -27.424 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.533 3.481 -28.340 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.406 3.128 -28.748 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.109 4.557 -28.611 1.00 0.00 O ATOM 0 H ASP A 70 -12.188 0.715 -25.935 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.171 0.744 -27.973 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.209 2.217 -27.908 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.544 3.028 -26.505 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.612 2.017 -24.958 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.579 2.432 -24.025 1.00 0.00 C ATOM 1098 C ALA A 71 -7.524 1.330 -23.915 1.00 0.00 C ATOM 1099 O ALA A 71 -6.326 1.609 -23.924 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.216 2.767 -22.674 1.00 0.00 C ATOM 0 H ALA A 71 -10.560 2.036 -24.581 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.079 3.332 -24.382 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.441 3.078 -21.974 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.936 3.575 -22.802 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.725 1.886 -22.283 1.00 0.00 H new ATOM 1106 N ARG A 72 -8.007 0.100 -23.812 1.00 0.00 N ATOM 1107 CA ARG A 72 -7.123 -1.045 -23.699 1.00 0.00 C ATOM 1108 C ARG A 72 -6.295 -1.203 -24.976 1.00 0.00 C ATOM 1109 O ARG A 72 -5.076 -1.366 -24.915 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.913 -2.331 -23.451 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.908 -2.150 -22.303 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.633 -3.461 -21.992 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.648 -4.538 -21.747 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.929 -5.846 -21.828 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.168 -6.246 -22.148 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.972 -6.753 -21.589 1.00 0.00 N ATOM 0 H ARG A 72 -9.001 -0.127 -23.805 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.462 -0.870 -22.850 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.447 -2.615 -24.358 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.226 -3.145 -23.217 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.383 -1.801 -21.414 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.635 -1.382 -22.565 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.271 -3.335 -21.117 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.283 -3.733 -22.824 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.696 -4.268 -21.501 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.896 -5.555 -22.330 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.383 -7.241 -22.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.030 -6.448 -21.345 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.186 -7.748 -21.651 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.988 -1.150 -26.104 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.332 -1.285 -27.394 1.00 0.00 C ATOM 1132 C GLU A 73 -5.325 -0.151 -27.598 1.00 0.00 C ATOM 1133 O GLU A 73 -4.224 -0.376 -28.099 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.357 -1.319 -28.529 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.447 -2.718 -29.143 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.518 -2.768 -30.236 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.635 -1.759 -30.964 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.195 -3.816 -30.317 1.00 0.00 O ATOM 0 H GLU A 73 -7.998 -1.015 -26.152 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.792 -2.232 -27.408 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.335 -1.020 -28.150 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.079 -0.598 -29.297 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.481 -2.998 -29.562 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.681 -3.446 -28.366 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.738 1.043 -27.199 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.886 2.213 -27.333 1.00 0.00 C ATOM 1147 C LEU A 74 -3.591 1.987 -26.550 1.00 0.00 C ATOM 1148 O LEU A 74 -2.509 2.340 -27.017 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.643 3.477 -26.918 1.00 0.00 C ATOM 1150 CG LEU A 74 -5.171 4.148 -25.628 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -4.016 5.114 -25.902 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.335 4.836 -24.910 1.00 0.00 C ATOM 0 H LEU A 74 -6.651 1.226 -26.783 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.607 2.364 -28.376 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.571 4.202 -27.729 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.698 3.225 -26.808 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.792 3.374 -24.960 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.700 5.577 -24.967 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.180 4.567 -26.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.345 5.887 -26.597 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.972 5.305 -23.996 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.766 5.596 -25.562 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.097 4.097 -24.661 1.00 0.00 H new ATOM 1164 N SER A 75 -3.744 1.400 -25.373 1.00 0.00 N ATOM 1165 CA SER A 75 -2.601 1.123 -24.520 1.00 0.00 C ATOM 1166 C SER A 75 -1.630 0.181 -25.235 1.00 0.00 C ATOM 1167 O SER A 75 -0.423 0.237 -25.009 1.00 0.00 O ATOM 1168 CB SER A 75 -3.042 0.518 -23.185 1.00 0.00 C ATOM 1169 OG SER A 75 -4.460 0.467 -23.066 1.00 0.00 O ATOM 0 H SER A 75 -4.643 1.108 -24.989 1.00 0.00 H new ATOM 0 HA SER A 75 -2.095 2.066 -24.311 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.634 -0.488 -23.090 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.630 1.108 -22.366 1.00 0.00 H new ATOM 0 HG SER A 75 -4.848 1.293 -23.424 1.00 0.00 H new ATOM 1175 N LYS A 76 -2.195 -0.665 -26.085 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.397 -1.618 -26.835 1.00 0.00 C ATOM 1177 C LYS A 76 -0.381 -0.861 -27.694 1.00 0.00 C ATOM 1178 O LYS A 76 0.570 -1.453 -28.202 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.297 -2.560 -27.636 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.090 -4.014 -27.206 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.312 -4.867 -27.554 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.955 -5.943 -28.582 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.092 -6.181 -29.499 1.00 0.00 N ATOM 0 H LYS A 76 -3.197 -0.709 -26.270 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.831 -2.256 -26.157 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.341 -2.280 -27.494 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.082 -2.457 -28.700 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.206 -4.420 -27.698 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.906 -4.057 -26.133 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.701 -5.337 -26.651 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.104 -4.230 -27.949 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.079 -5.633 -29.152 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.692 -6.869 -28.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.833 -6.914 -30.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.918 -6.497 -28.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.325 -5.300 -30.000 1.00 0.00 H new ATOM 1197 N THR A 77 -0.617 0.435 -27.828 1.00 0.00 N ATOM 1198 CA THR A 77 0.266 1.279 -28.616 1.00 0.00 C ATOM 1199 C THR A 77 1.370 1.865 -27.734 1.00 0.00 C ATOM 1200 O THR A 77 2.458 2.176 -28.219 1.00 0.00 O ATOM 1201 CB THR A 77 -0.589 2.343 -29.306 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.783 3.337 -28.304 1.00 0.00 O ATOM 1203 CG2 THR A 77 -2.002 1.847 -29.618 1.00 0.00 C ATOM 0 H THR A 77 -1.407 0.922 -27.404 1.00 0.00 H new ATOM 0 HA THR A 77 0.779 0.704 -29.387 1.00 0.00 H new ATOM 0 HB THR A 77 -0.102 2.656 -30.230 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.689 3.260 -27.938 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.567 2.641 -30.107 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.946 0.982 -30.278 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.501 1.565 -28.691 1.00 0.00 H new ATOM 1211 N PHE A 78 1.054 1.999 -26.455 1.00 0.00 N ATOM 1212 CA PHE A 78 2.005 2.543 -25.500 1.00 0.00 C ATOM 1213 C PHE A 78 2.815 1.427 -24.838 1.00 0.00 C ATOM 1214 O PHE A 78 3.758 1.696 -24.096 1.00 0.00 O ATOM 1215 CB PHE A 78 1.196 3.275 -24.429 1.00 0.00 C ATOM 1216 CG PHE A 78 0.515 4.551 -24.927 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.510 4.472 -25.818 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.934 5.765 -24.480 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -1.142 5.657 -26.279 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.302 6.950 -24.941 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.722 6.871 -25.832 1.00 0.00 C ATOM 0 H PHE A 78 0.151 1.740 -26.057 1.00 0.00 H new ATOM 0 HA PHE A 78 2.702 3.209 -26.008 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.436 2.599 -24.037 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.856 3.528 -23.599 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.843 3.508 -26.175 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.748 5.828 -23.774 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.957 5.594 -26.985 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.634 7.914 -24.584 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.202 7.772 -26.185 1.00 0.00 H new ATOM 1231 N ILE A 79 2.417 0.197 -25.130 1.00 0.00 N ATOM 1232 CA ILE A 79 3.095 -0.960 -24.571 1.00 0.00 C ATOM 1233 C ILE A 79 4.592 -0.865 -24.872 1.00 0.00 C ATOM 1234 O ILE A 79 4.994 -0.818 -26.032 1.00 0.00 O ATOM 1235 CB ILE A 79 2.449 -2.254 -25.074 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.293 -2.679 -24.165 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.491 -3.363 -25.231 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.082 -4.192 -24.217 1.00 0.00 C ATOM 0 H ILE A 79 1.634 -0.023 -25.746 1.00 0.00 H new ATOM 0 HA ILE A 79 2.988 -0.976 -23.486 1.00 0.00 H new ATOM 0 HB ILE A 79 2.030 -2.064 -26.062 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.500 -2.372 -23.140 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.379 -2.170 -24.471 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.005 -4.271 -25.589 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.250 -3.050 -25.948 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.961 -3.559 -24.267 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.255 -4.467 -23.562 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.851 -4.492 -25.239 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.990 -4.697 -23.887 1.00 0.00 H new ATOM 1250 N ILE A 80 5.376 -0.839 -23.804 1.00 0.00 N ATOM 1251 CA ILE A 80 6.820 -0.749 -23.938 1.00 0.00 C ATOM 1252 C ILE A 80 7.447 -2.099 -23.584 1.00 0.00 C ATOM 1253 O ILE A 80 8.555 -2.407 -24.018 1.00 0.00 O ATOM 1254 CB ILE A 80 7.365 0.417 -23.111 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.897 0.323 -21.657 1.00 0.00 C ATOM 1256 CG2 ILE A 80 6.996 1.759 -23.747 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.879 -0.495 -20.816 1.00 0.00 C ATOM 0 H ILE A 80 5.038 -0.879 -22.842 1.00 0.00 H new ATOM 0 HA ILE A 80 7.092 -0.531 -24.971 1.00 0.00 H new ATOM 0 HB ILE A 80 8.453 0.353 -23.104 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.800 1.324 -21.237 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.909 -0.136 -21.618 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.395 2.571 -23.140 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.418 1.815 -24.750 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.911 1.848 -23.805 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.522 -0.546 -19.787 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.956 -1.503 -21.224 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.860 -0.020 -20.837 1.00 0.00 H new ATOM 1269 N GLY A 81 6.708 -2.870 -22.797 1.00 0.00 N ATOM 1270 CA GLY A 81 7.177 -4.180 -22.379 1.00 0.00 C ATOM 1271 C GLY A 81 6.077 -4.946 -21.643 1.00 0.00 C ATOM 1272 O GLY A 81 4.891 -4.688 -21.847 1.00 0.00 O ATOM 0 H GLY A 81 5.789 -2.612 -22.439 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.501 -4.749 -23.250 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.045 -4.069 -21.729 1.00 0.00 H new ATOM 1276 N GLU A 82 6.508 -5.871 -20.798 1.00 0.00 N ATOM 1277 CA GLU A 82 5.575 -6.677 -20.029 1.00 0.00 C ATOM 1278 C GLU A 82 6.220 -7.128 -18.716 1.00 0.00 C ATOM 1279 O GLU A 82 7.443 -7.207 -18.617 1.00 0.00 O ATOM 1280 CB GLU A 82 5.088 -7.878 -20.842 1.00 0.00 C ATOM 1281 CG GLU A 82 5.191 -7.603 -22.343 1.00 0.00 C ATOM 1282 CD GLU A 82 4.684 -8.796 -23.156 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.804 -9.510 -22.628 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.189 -8.968 -24.288 1.00 0.00 O ATOM 0 H GLU A 82 7.492 -6.080 -20.629 1.00 0.00 H new ATOM 0 HA GLU A 82 4.705 -6.064 -19.792 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.680 -8.757 -20.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.054 -8.104 -20.580 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.611 -6.715 -22.594 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.227 -7.392 -22.607 1.00 0.00 H new ATOM 1291 N LEU A 83 5.368 -7.413 -17.743 1.00 0.00 N ATOM 1292 CA LEU A 83 5.837 -7.854 -16.441 1.00 0.00 C ATOM 1293 C LEU A 83 6.496 -9.228 -16.582 1.00 0.00 C ATOM 1294 O LEU A 83 5.853 -10.189 -16.997 1.00 0.00 O ATOM 1295 CB LEU A 83 4.700 -7.818 -15.420 1.00 0.00 C ATOM 1296 CG LEU A 83 5.120 -7.740 -13.951 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.567 -8.203 -13.768 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.893 -6.335 -13.389 1.00 0.00 C ATOM 0 H LEU A 83 4.354 -7.347 -17.830 1.00 0.00 H new ATOM 0 HA LEU A 83 6.597 -7.173 -16.058 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.066 -6.960 -15.642 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.088 -8.710 -15.556 1.00 0.00 H new ATOM 0 HG LEU A 83 4.489 -8.421 -13.380 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.840 -8.137 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.664 -9.235 -14.104 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.230 -7.567 -14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.200 -6.307 -12.343 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.481 -5.616 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.836 -6.080 -13.464 1.00 0.00 H new ATOM 1310 N HIS A 84 7.770 -9.277 -16.223 1.00 0.00 N ATOM 1311 CA HIS A 84 8.524 -10.516 -16.303 1.00 0.00 C ATOM 1312 C HIS A 84 7.986 -11.511 -15.271 1.00 0.00 C ATOM 1313 O HIS A 84 7.003 -11.229 -14.585 1.00 0.00 O ATOM 1314 CB HIS A 84 10.023 -10.254 -16.148 1.00 0.00 C ATOM 1315 CG HIS A 84 10.856 -10.757 -17.302 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.240 -10.742 -17.289 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.488 -11.289 -18.503 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.676 -11.244 -18.436 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.588 -11.581 -19.187 1.00 0.00 N ATOM 0 H HIS A 84 8.300 -8.478 -15.876 1.00 0.00 H new ATOM 0 HA HIS A 84 8.394 -10.961 -17.290 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.185 -9.182 -16.037 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.371 -10.726 -15.229 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.474 -11.446 -18.840 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.710 -11.365 -18.725 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.615 -11.990 -20.121 1.00 0.00 H new ATOM 1328 N PRO A 85 8.670 -12.683 -15.192 1.00 0.00 N ATOM 1329 CA PRO A 85 8.273 -13.720 -14.255 1.00 0.00 C ATOM 1330 C PRO A 85 8.670 -13.350 -12.825 1.00 0.00 C ATOM 1331 O PRO A 85 8.595 -14.181 -11.921 1.00 0.00 O ATOM 1332 CB PRO A 85 8.953 -14.984 -14.755 1.00 0.00 C ATOM 1333 CG PRO A 85 10.073 -14.519 -15.670 1.00 0.00 C ATOM 1334 CD PRO A 85 9.837 -13.051 -15.988 1.00 0.00 C ATOM 0 HA PRO A 85 7.192 -13.857 -14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.345 -15.571 -13.925 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.249 -15.620 -15.291 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.041 -14.654 -15.187 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.088 -15.110 -16.586 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.703 -12.444 -15.725 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.654 -12.901 -17.052 1.00 0.00 H new ATOM 1342 N ASP A 86 9.086 -12.102 -12.665 1.00 0.00 N ATOM 1343 CA ASP A 86 9.496 -11.612 -11.360 1.00 0.00 C ATOM 1344 C ASP A 86 8.255 -11.312 -10.520 1.00 0.00 C ATOM 1345 O ASP A 86 8.314 -11.329 -9.290 1.00 0.00 O ATOM 1346 CB ASP A 86 10.305 -10.320 -11.487 1.00 0.00 C ATOM 1347 CG ASP A 86 10.034 -9.278 -10.401 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.521 -9.493 -9.271 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.344 -8.286 -10.727 1.00 0.00 O ATOM 0 H ASP A 86 9.148 -11.416 -13.417 1.00 0.00 H new ATOM 0 HA ASP A 86 10.112 -12.379 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.366 -10.570 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.096 -9.873 -12.459 1.00 0.00 H new ATOM 1354 N ASP A 87 7.160 -11.041 -11.214 1.00 0.00 N ATOM 1355 CA ASP A 87 5.905 -10.737 -10.546 1.00 0.00 C ATOM 1356 C ASP A 87 4.831 -10.448 -11.597 1.00 0.00 C ATOM 1357 O ASP A 87 4.144 -9.430 -11.524 1.00 0.00 O ATOM 1358 CB ASP A 87 6.041 -9.499 -9.656 1.00 0.00 C ATOM 1359 CG ASP A 87 6.535 -9.775 -8.236 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.843 -10.546 -7.534 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.592 -9.212 -7.882 1.00 0.00 O ATOM 0 H ASP A 87 7.115 -11.025 -12.233 1.00 0.00 H new ATOM 0 HA ASP A 87 5.633 -11.595 -9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.728 -8.800 -10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.072 -9.004 -9.598 1.00 0.00 H new ATOM 1366 N ARG A 88 4.719 -11.362 -12.549 1.00 0.00 N ATOM 1367 CA ARG A 88 3.738 -11.218 -13.612 1.00 0.00 C ATOM 1368 C ARG A 88 2.457 -11.974 -13.259 1.00 0.00 C ATOM 1369 O ARG A 88 1.359 -11.434 -13.384 1.00 0.00 O ATOM 1370 CB ARG A 88 4.285 -11.748 -14.940 1.00 0.00 C ATOM 1371 CG ARG A 88 4.661 -13.227 -14.826 1.00 0.00 C ATOM 1372 CD ARG A 88 5.328 -13.723 -16.113 1.00 0.00 C ATOM 1373 NE ARG A 88 4.788 -15.050 -16.481 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.891 -16.143 -15.714 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.513 -16.074 -14.528 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.371 -17.306 -16.131 1.00 0.00 N ATOM 0 H ARG A 88 5.291 -12.205 -12.607 1.00 0.00 H new ATOM 0 HA ARG A 88 3.518 -10.156 -13.719 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.538 -11.618 -15.723 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.160 -11.168 -15.235 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.337 -13.370 -13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.768 -13.819 -14.623 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.153 -13.013 -16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.407 -13.786 -15.973 1.00 0.00 H new ATOM 0 HE ARG A 88 4.307 -15.138 -17.376 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.908 -15.189 -14.210 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.591 -16.907 -13.944 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.897 -17.359 -17.033 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.450 -18.138 -15.547 1.00 0.00 H new ATOM 1390 N SER A 89 2.638 -13.212 -12.824 1.00 0.00 N ATOM 1391 CA SER A 89 1.510 -14.048 -12.451 1.00 0.00 C ATOM 1392 C SER A 89 0.931 -13.579 -11.115 1.00 0.00 C ATOM 1393 O SER A 89 -0.070 -14.118 -10.646 1.00 0.00 O ATOM 1394 CB SER A 89 1.919 -15.520 -12.365 1.00 0.00 C ATOM 1395 OG SER A 89 0.798 -16.375 -12.161 1.00 0.00 O ATOM 0 H SER A 89 3.550 -13.657 -12.721 1.00 0.00 H new ATOM 0 HA SER A 89 0.746 -13.956 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.432 -15.808 -13.283 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.629 -15.652 -11.548 1.00 0.00 H new ATOM 0 HG SER A 89 0.146 -15.927 -11.582 1.00 0.00 H new ATOM 1401 N LYS A 90 1.585 -12.581 -10.541 1.00 0.00 N ATOM 1402 CA LYS A 90 1.147 -12.034 -9.268 1.00 0.00 C ATOM 1403 C LYS A 90 0.394 -10.723 -9.513 1.00 0.00 C ATOM 1404 O LYS A 90 -0.051 -10.073 -8.568 1.00 0.00 O ATOM 1405 CB LYS A 90 2.331 -11.891 -8.311 1.00 0.00 C ATOM 1406 CG LYS A 90 2.097 -12.689 -7.026 1.00 0.00 C ATOM 1407 CD LYS A 90 1.463 -11.812 -5.943 1.00 0.00 C ATOM 1408 CE LYS A 90 1.043 -12.652 -4.735 1.00 0.00 C ATOM 1409 NZ LYS A 90 2.184 -12.842 -3.813 1.00 0.00 N ATOM 0 H LYS A 90 2.415 -12.137 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 90 0.451 -12.716 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.242 -12.239 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.482 -10.839 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.449 -13.540 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.044 -13.091 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.172 -11.046 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.594 -11.295 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.223 -12.161 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.673 -13.621 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.881 -13.414 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.955 -13.330 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.519 -11.916 -3.479 1.00 0.00 H new ATOM 1423 N ILE A 91 0.274 -10.377 -10.786 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.418 -9.158 -11.167 1.00 0.00 C ATOM 1425 C ILE A 91 -1.378 -9.459 -12.318 1.00 0.00 C ATOM 1426 O ILE A 91 -2.510 -8.977 -12.330 1.00 0.00 O ATOM 1427 CB ILE A 91 0.587 -8.046 -11.480 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.930 -8.021 -12.970 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.836 -8.177 -10.607 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.882 -6.867 -13.294 1.00 0.00 C ATOM 0 H ILE A 91 0.644 -10.919 -11.566 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.021 -8.788 -10.337 1.00 0.00 H new ATOM 0 HB ILE A 91 0.124 -7.089 -11.240 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.389 -8.967 -13.257 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.016 -7.919 -13.556 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.534 -7.376 -10.848 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.554 -8.109 -9.556 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.311 -9.140 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.110 -6.872 -14.360 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.411 -5.921 -13.028 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.804 -6.985 -12.725 1.00 0.00 H new ATOM 1442 N THR A 92 -0.891 -10.255 -13.260 1.00 0.00 N ATOM 1443 CA THR A 92 -1.693 -10.627 -14.413 1.00 0.00 C ATOM 1444 C THR A 92 -3.153 -10.831 -14.005 1.00 0.00 C ATOM 1445 O THR A 92 -3.442 -11.580 -13.072 1.00 0.00 O ATOM 1446 CB THR A 92 -1.061 -11.866 -15.048 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.621 -11.911 -16.358 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.536 -13.166 -14.395 1.00 0.00 C ATOM 0 H THR A 92 0.048 -10.652 -13.248 1.00 0.00 H new ATOM 0 HA THR A 92 -1.706 -9.832 -15.159 1.00 0.00 H new ATOM 0 HB THR A 92 0.024 -11.797 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.263 -12.685 -16.841 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.057 -14.015 -14.883 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.272 -13.160 -13.337 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.618 -13.251 -14.498 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.037 -10.153 -14.723 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.458 -10.251 -14.447 1.00 0.00 C ATOM 1458 C LYS A 93 -5.728 -9.795 -13.012 1.00 0.00 C ATOM 1459 O LYS A 93 -4.842 -9.853 -12.162 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.968 -11.662 -14.750 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.650 -11.717 -16.119 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.347 -13.062 -16.331 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.638 -12.890 -17.135 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.362 -12.993 -18.586 1.00 0.00 N ATOM 0 H LYS A 93 -3.795 -9.533 -15.496 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.019 -9.586 -15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.136 -12.366 -14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.671 -11.972 -13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.378 -10.910 -16.199 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.911 -11.559 -16.904 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.677 -13.744 -16.854 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.573 -13.515 -15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.361 -13.651 -16.841 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.086 -11.922 -16.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.248 -12.874 -19.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.689 -12.251 -18.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.955 -13.927 -18.797 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.989 -9.341 -12.779 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.386 -8.876 -11.463 1.00 0.00 C ATOM 1480 C PRO A 94 -7.598 -10.051 -10.506 1.00 0.00 C ATOM 1481 O PRO A 94 -6.690 -10.421 -9.763 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.652 -8.065 -11.696 1.00 0.00 C ATOM 1483 CG PRO A 94 -9.173 -8.491 -13.059 1.00 0.00 C ATOM 1484 CD PRO A 94 -8.066 -9.259 -13.763 1.00 0.00 C ATOM 0 HA PRO A 94 -6.620 -8.266 -10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.390 -8.260 -10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.441 -6.996 -11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.060 -9.114 -12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.465 -7.620 -13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.402 -10.251 -14.066 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.739 -8.744 -14.666 1.00 0.00 H new ATOM 1492 N SER A 95 -8.800 -10.606 -10.558 1.00 0.00 N ATOM 1493 CA SER A 95 -9.141 -11.732 -9.704 1.00 0.00 C ATOM 1494 C SER A 95 -10.454 -12.362 -10.171 1.00 0.00 C ATOM 1495 O SER A 95 -10.485 -13.530 -10.557 1.00 0.00 O ATOM 1496 CB SER A 95 -9.249 -11.301 -8.241 1.00 0.00 C ATOM 1497 OG SER A 95 -9.085 -12.400 -7.347 1.00 0.00 O ATOM 0 H SER A 95 -9.549 -10.298 -11.177 1.00 0.00 H new ATOM 0 HA SER A 95 -8.344 -12.472 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.493 -10.545 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.220 -10.837 -8.071 1.00 0.00 H new ATOM 0 HG SER A 95 -9.159 -12.083 -6.422 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.509 -11.560 -10.119 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.822 -12.025 -10.532 1.00 0.00 C ATOM 1505 C GLU A 96 -13.858 -10.914 -10.353 1.00 0.00 C ATOM 1506 O GLU A 96 -13.802 -10.158 -9.385 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.226 -13.283 -9.759 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.765 -14.358 -10.706 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.967 -15.076 -10.090 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -16.071 -14.494 -10.154 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.756 -16.194 -9.570 1.00 0.00 O ATOM 0 H GLU A 96 -11.480 -10.592 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.778 -12.287 -11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.366 -13.671 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.985 -13.031 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.055 -13.902 -11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.979 -15.080 -10.927 1.00 0.00 H new ATOM 1518 N SER A 97 -14.782 -10.851 -11.302 1.00 0.00 N ATOM 1519 CA SER A 97 -15.830 -9.845 -11.261 1.00 0.00 C ATOM 1520 C SER A 97 -16.908 -10.254 -10.257 1.00 0.00 C ATOM 1521 O SER A 97 -17.012 -11.425 -9.893 1.00 0.00 O ATOM 1522 CB SER A 97 -16.444 -9.634 -12.646 1.00 0.00 C ATOM 1523 OG SER A 97 -16.684 -8.256 -12.921 1.00 0.00 O ATOM 0 H SER A 97 -14.826 -11.480 -12.103 1.00 0.00 H new ATOM 0 HA SER A 97 -15.387 -8.901 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.777 -10.044 -13.404 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.382 -10.186 -12.715 1.00 0.00 H new ATOM 0 HG SER A 97 -17.075 -8.164 -13.815 1.00 0.00 H new ATOM 1529 N ILE A 98 -17.686 -9.267 -9.838 1.00 0.00 N ATOM 1530 CA ILE A 98 -18.754 -9.510 -8.883 1.00 0.00 C ATOM 1531 C ILE A 98 -20.026 -8.804 -9.357 1.00 0.00 C ATOM 1532 O ILE A 98 -19.966 -7.700 -9.894 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.315 -9.104 -7.474 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.120 -9.936 -7.011 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -19.486 -9.183 -6.491 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.334 -9.208 -5.917 1.00 0.00 C ATOM 0 H ILE A 98 -17.598 -8.297 -10.142 1.00 0.00 H new ATOM 0 HA ILE A 98 -18.981 -10.575 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 98 -17.990 -8.064 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.467 -10.899 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.466 -10.142 -7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -19.147 -8.890 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -20.280 -8.511 -6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -19.865 -10.204 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.489 -9.822 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -15.968 -8.257 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -16.985 -9.026 -5.062 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.150 -9.474 -9.144 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.435 -8.926 -9.544 1.00 0.00 C ATOM 1550 C ILE A 99 -22.874 -7.870 -8.527 1.00 0.00 C ATOM 1551 O ILE A 99 -22.152 -7.587 -7.572 1.00 0.00 O ATOM 1552 CB ILE A 99 -23.456 -10.048 -9.745 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -23.694 -10.814 -8.442 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -23.034 -10.976 -10.886 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -25.102 -10.558 -7.904 1.00 0.00 C ATOM 0 H ILE A 99 -21.197 -10.391 -8.700 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.352 -8.425 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 99 -24.406 -9.597 -10.031 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -23.555 -11.881 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.956 -10.512 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -23.777 -11.764 -11.008 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -22.957 -10.404 -11.811 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.067 -11.422 -10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -25.244 -11.114 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -25.230 -9.493 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -25.837 -10.884 -8.640 1.00 0.00 H new ATOM 1567 N THR A 100 -24.053 -7.319 -8.766 1.00 0.00 N ATOM 1568 CA THR A 100 -24.596 -6.300 -7.883 1.00 0.00 C ATOM 1569 C THR A 100 -26.125 -6.309 -7.934 1.00 0.00 C ATOM 1570 O THR A 100 -26.716 -6.898 -8.839 1.00 0.00 O ATOM 1571 CB THR A 100 -23.984 -4.956 -8.279 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.616 -5.072 -7.899 1.00 0.00 O ATOM 1573 CG2 THR A 100 -24.509 -3.799 -7.426 1.00 0.00 C ATOM 0 H THR A 100 -24.649 -7.558 -9.559 1.00 0.00 H new ATOM 0 HA THR A 100 -24.335 -6.499 -6.843 1.00 0.00 H new ATOM 0 HB THR A 100 -24.195 -4.758 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 100 -22.480 -5.915 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 100 -24.042 -2.868 -7.749 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.590 -3.722 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.269 -3.981 -6.378 1.00 0.00 H new ATOM 1581 N THR A 101 -26.722 -5.651 -6.952 1.00 0.00 N ATOM 1582 CA THR A 101 -28.171 -5.577 -6.874 1.00 0.00 C ATOM 1583 C THR A 101 -28.714 -4.623 -7.939 1.00 0.00 C ATOM 1584 O THR A 101 -28.045 -3.662 -8.317 1.00 0.00 O ATOM 1585 CB THR A 101 -28.547 -5.174 -5.447 1.00 0.00 C ATOM 1586 OG1 THR A 101 -29.971 -5.222 -5.436 1.00 0.00 O ATOM 1587 CG2 THR A 101 -28.223 -3.708 -5.148 1.00 0.00 C ATOM 0 H THR A 101 -26.229 -5.164 -6.203 1.00 0.00 H new ATOM 0 HA THR A 101 -28.629 -6.543 -7.085 1.00 0.00 H new ATOM 0 HB THR A 101 -28.021 -5.815 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 101 -30.300 -4.976 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.509 -3.474 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.154 -3.539 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.775 -3.066 -5.834 1.00 0.00 H new ATOM 1595 N ILE A 102 -29.923 -4.920 -8.392 1.00 0.00 N ATOM 1596 CA ILE A 102 -30.564 -4.102 -9.408 1.00 0.00 C ATOM 1597 C ILE A 102 -31.494 -3.092 -8.729 1.00 0.00 C ATOM 1598 O ILE A 102 -31.668 -3.123 -7.512 1.00 0.00 O ATOM 1599 CB ILE A 102 -31.264 -4.982 -10.444 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -32.494 -5.665 -9.843 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -30.289 -5.990 -11.054 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -33.752 -4.825 -10.067 1.00 0.00 C ATOM 0 H ILE A 102 -30.476 -5.716 -8.074 1.00 0.00 H new ATOM 0 HA ILE A 102 -29.820 -3.531 -9.962 1.00 0.00 H new ATOM 0 HB ILE A 102 -31.615 -4.343 -11.254 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -32.624 -6.649 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -32.342 -5.821 -8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -30.812 -6.604 -11.788 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.473 -5.457 -11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -29.887 -6.629 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -34.612 -5.333 -9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -33.628 -3.851 -9.594 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -33.915 -4.691 -11.136 1.00 0.00 H new ATOM 1614 N ASP A 103 -32.066 -2.221 -9.548 1.00 0.00 N ATOM 1615 CA ASP A 103 -32.974 -1.205 -9.042 1.00 0.00 C ATOM 1616 C ASP A 103 -33.837 -0.681 -10.191 1.00 0.00 C ATOM 1617 O ASP A 103 -33.567 -0.968 -11.356 1.00 0.00 O ATOM 1618 CB ASP A 103 -32.202 -0.020 -8.453 1.00 0.00 C ATOM 1619 CG ASP A 103 -33.075 1.118 -7.923 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -33.529 0.993 -6.765 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -33.266 2.089 -8.686 1.00 0.00 O ATOM 0 H ASP A 103 -31.919 -2.198 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 103 -33.588 -1.659 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -31.572 -0.383 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.537 0.378 -9.219 1.00 0.00 H new ATOM 1626 N SER A 104 -34.860 0.076 -9.822 1.00 0.00 N ATOM 1627 CA SER A 104 -35.766 0.642 -10.809 1.00 0.00 C ATOM 1628 C SER A 104 -36.064 2.104 -10.467 1.00 0.00 C ATOM 1629 O SER A 104 -35.746 2.566 -9.372 1.00 0.00 O ATOM 1630 CB SER A 104 -37.065 -0.161 -10.887 1.00 0.00 C ATOM 1631 OG SER A 104 -37.249 -0.754 -12.169 1.00 0.00 O ATOM 0 H SER A 104 -35.082 0.311 -8.855 1.00 0.00 H new ATOM 0 HA SER A 104 -35.283 0.595 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 104 -37.056 -0.940 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 104 -37.909 0.492 -10.665 1.00 0.00 H new ATOM 0 HG SER A 104 -38.088 -1.260 -12.178 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.118 5.329 -17.360 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.706 7.240 -18.422 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.049 4.963 -20.609 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.645 3.229 -16.290 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.040 5.849 -14.109 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.766 5.964 -19.131 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.903 6.668 -19.402 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.102 6.782 -20.860 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.029 6.206 -21.487 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.195 5.710 -20.415 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.762 6.098 -22.988 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.317 7.389 -21.531 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.533 6.483 -21.407 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.186 5.017 -21.566 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.217 4.284 -20.560 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.838 4.592 -22.683 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.655 4.345 -18.242 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.331 4.313 -19.608 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.174 3.466 -19.855 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.823 2.926 -18.633 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.720 3.502 -17.657 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.571 3.159 -21.227 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.965 1.845 -18.326 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.680 1.588 -18.748 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.478 4.675 -15.590 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.457 3.768 -15.335 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.323 3.468 -13.893 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.291 4.216 -13.286 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.979 4.981 -14.335 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.301 2.470 -13.292 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.595 4.277 -11.918 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.603 4.331 -10.952 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.597 6.308 -16.441 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.809 6.465 -15.066 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.898 7.369 -14.802 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.324 7.789 -16.006 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.561 7.091 -17.035 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.491 7.741 -13.451 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.336 8.877 -16.264 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.719 8.288 -16.398 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.437 8.794 -17.625 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.685 8.770 -17.620 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.760 9.230 -18.586 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.710 6.054 -23.524 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.188 5.194 -23.191 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.197 6.969 -23.321 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.500 2.985 -21.123 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.738 4.004 -21.895 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.045 2.269 -21.642 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.026 2.792 -12.288 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.411 2.439 -13.920 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.747 1.477 -13.245 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.383 6.903 -12.763 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.548 7.978 -13.571 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.967 8.609 -13.050 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.163 0.692 -18.405 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.180 2.280 -19.425 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.872 4.378 -9.897 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.554 4.327 -11.247 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.268 6.762 -22.162 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.000 6.639 -20.434 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.101 7.568 -22.584 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.536 8.358 -21.082 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.303 8.531 -15.511 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.647 7.201 -16.444 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.074 9.418 -17.174 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.319 9.599 -15.448 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.522 7.860 -18.762 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.680 4.876 -21.620 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.884 2.536 -15.962 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.284 6.060 -13.078 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.386 1.100 -17.651 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.640 4.282 -11.606 1.00 0.00 H new