USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -39:sc= -0.949 USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -2.45 (180deg=-1.05) USER MOD Set 2.1: A 53 GLN : amide:sc= -8.68! C(o=-20!,f=-28!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -11.8! (180deg=-9.65!) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 HIS : no HE2:sc= -2.53 K(o=-1.9,f=-6.5) USER MOD Set 4.2: A 34 TYR OH : rot 9:sc= 0.673 USER MOD Set 5.1: A 25 THR OG1 : rot -63:sc= 1.63 USER MOD Set 5.2: A 37 THR OG1 : rot 29:sc= 1.26 USER MOD Set 6.1: A 19 HIS : no HE2:sc= -4.39! C(o=-8.4!,f=-12!) USER MOD Set 6.2: A 24 SER OG : rot 150:sc= -3.96! USER MOD Single : A 1 ALA N :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 4 SER OG : rot 68:sc= 0.0172 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 17 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -6.74! C(o=-11!,f=-6.7!) USER MOD Single : A 21 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.045) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -2:sc= 0.645 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -119:sc= 0.885 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 -30:sc= 0.1 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -8.6! C(o=-9.8!,f=-8.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -3.21! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00165 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= -4.63! (180deg=-4.63!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 31.850 2.284 -34.206 1.00 0.00 N ATOM 2 CA ALA A 1 32.632 1.082 -33.980 1.00 0.00 C ATOM 3 C ALA A 1 31.706 -0.044 -33.518 1.00 0.00 C ATOM 4 O ALA A 1 31.700 -1.127 -34.101 1.00 0.00 O ATOM 5 CB ALA A 1 33.742 1.377 -32.969 1.00 0.00 C ATOM 0 H1 ALA A 1 32.465 3.032 -34.585 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.091 2.081 -34.888 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.433 2.601 -33.308 1.00 0.00 H new ATOM 0 HA ALA A 1 33.111 0.757 -34.903 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.329 0.474 -32.799 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.389 2.163 -33.358 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.300 1.704 -32.028 1.00 0.00 H new ATOM 11 N GLU A 2 30.946 0.249 -32.473 1.00 0.00 N ATOM 12 CA GLU A 2 30.017 -0.725 -31.925 1.00 0.00 C ATOM 13 C GLU A 2 28.839 -0.016 -31.254 1.00 0.00 C ATOM 14 O GLU A 2 28.952 1.141 -30.854 1.00 0.00 O ATOM 15 CB GLU A 2 30.723 -1.665 -30.945 1.00 0.00 C ATOM 16 CG GLU A 2 30.632 -3.117 -31.416 1.00 0.00 C ATOM 17 CD GLU A 2 31.145 -4.076 -30.338 1.00 0.00 C ATOM 18 OE1 GLU A 2 30.489 -4.137 -29.276 1.00 0.00 O ATOM 19 OE2 GLU A 2 32.179 -4.725 -30.602 1.00 0.00 O ATOM 0 H GLU A 2 30.955 1.148 -31.991 1.00 0.00 H new ATOM 0 HA GLU A 2 29.631 -1.331 -32.744 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.769 -1.375 -30.848 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.273 -1.571 -29.957 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.598 -3.359 -31.661 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.215 -3.244 -32.328 1.00 0.00 H new ATOM 26 N GLU A 3 27.734 -0.742 -31.151 1.00 0.00 N ATOM 27 CA GLU A 3 26.537 -0.198 -30.534 1.00 0.00 C ATOM 28 C GLU A 3 25.483 -1.294 -30.363 1.00 0.00 C ATOM 29 O GLU A 3 25.672 -2.419 -30.821 1.00 0.00 O ATOM 30 CB GLU A 3 25.984 0.971 -31.351 1.00 0.00 C ATOM 31 CG GLU A 3 25.496 0.501 -32.722 1.00 0.00 C ATOM 32 CD GLU A 3 26.447 0.960 -33.830 1.00 0.00 C ATOM 33 OE1 GLU A 3 27.673 0.836 -33.611 1.00 0.00 O ATOM 34 OE2 GLU A 3 25.928 1.424 -34.867 1.00 0.00 O ATOM 0 H GLU A 3 27.644 -1.702 -31.485 1.00 0.00 H new ATOM 0 HA GLU A 3 26.800 0.182 -29.547 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.162 1.440 -30.810 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.757 1.729 -31.477 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.419 -0.586 -32.731 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.497 0.893 -32.910 1.00 0.00 H new ATOM 41 N SER A 4 24.398 -0.927 -29.698 1.00 0.00 N ATOM 42 CA SER A 4 23.315 -1.865 -29.459 1.00 0.00 C ATOM 43 C SER A 4 22.251 -1.220 -28.569 1.00 0.00 C ATOM 44 O SER A 4 22.543 -0.289 -27.821 1.00 0.00 O ATOM 45 CB SER A 4 23.832 -3.154 -28.819 1.00 0.00 C ATOM 46 OG SER A 4 23.641 -4.285 -29.663 1.00 0.00 O ATOM 0 H SER A 4 24.246 0.007 -29.317 1.00 0.00 H new ATOM 0 HA SER A 4 22.869 -2.123 -30.420 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.893 -3.046 -28.593 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.319 -3.319 -27.871 1.00 0.00 H new ATOM 0 HG SER A 4 24.220 -4.207 -30.450 1.00 0.00 H new ATOM 52 N SER A 5 21.037 -1.741 -28.679 1.00 0.00 N ATOM 53 CA SER A 5 19.928 -1.227 -27.893 1.00 0.00 C ATOM 54 C SER A 5 18.674 -2.069 -28.145 1.00 0.00 C ATOM 55 O SER A 5 18.648 -2.892 -29.058 1.00 0.00 O ATOM 56 CB SER A 5 19.655 0.242 -28.219 1.00 0.00 C ATOM 57 OG SER A 5 19.311 0.430 -29.588 1.00 0.00 O ATOM 0 H SER A 5 20.797 -2.514 -29.300 1.00 0.00 H new ATOM 0 HA SER A 5 20.197 -1.292 -26.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.845 0.609 -27.588 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.538 0.836 -27.982 1.00 0.00 H new ATOM 0 HG SER A 5 19.143 1.381 -29.755 1.00 0.00 H new ATOM 63 N LYS A 6 17.667 -1.834 -27.317 1.00 0.00 N ATOM 64 CA LYS A 6 16.414 -2.558 -27.438 1.00 0.00 C ATOM 65 C LYS A 6 15.394 -1.975 -26.458 1.00 0.00 C ATOM 66 O LYS A 6 15.715 -1.069 -25.690 1.00 0.00 O ATOM 67 CB LYS A 6 16.645 -4.061 -27.263 1.00 0.00 C ATOM 68 CG LYS A 6 16.992 -4.396 -25.811 1.00 0.00 C ATOM 69 CD LYS A 6 17.950 -5.586 -25.737 1.00 0.00 C ATOM 70 CE LYS A 6 19.141 -5.276 -24.825 1.00 0.00 C ATOM 71 NZ LYS A 6 19.196 -6.237 -23.702 1.00 0.00 N ATOM 0 H LYS A 6 17.694 -1.152 -26.559 1.00 0.00 H new ATOM 0 HA LYS A 6 16.000 -2.436 -28.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.751 -4.607 -27.562 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.452 -4.387 -27.918 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.446 -3.528 -25.332 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.080 -4.624 -25.259 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.420 -6.462 -25.363 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.307 -5.832 -26.737 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.067 -5.323 -25.398 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.056 -4.260 -24.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.009 -6.013 -23.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.319 -6.172 -23.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.299 -7.202 -24.076 1.00 0.00 H new ATOM 85 N ALA A 7 14.186 -2.518 -26.517 1.00 0.00 N ATOM 86 CA ALA A 7 13.118 -2.062 -25.645 1.00 0.00 C ATOM 87 C ALA A 7 13.047 -2.970 -24.416 1.00 0.00 C ATOM 88 O ALA A 7 13.518 -4.105 -24.451 1.00 0.00 O ATOM 89 CB ALA A 7 11.802 -2.029 -26.422 1.00 0.00 C ATOM 0 H ALA A 7 13.924 -3.269 -27.155 1.00 0.00 H new ATOM 0 HA ALA A 7 13.315 -1.048 -25.296 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.001 -1.687 -25.767 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.896 -1.347 -27.267 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.570 -3.030 -26.787 1.00 0.00 H new ATOM 95 N VAL A 8 12.454 -2.435 -23.358 1.00 0.00 N ATOM 96 CA VAL A 8 12.315 -3.184 -22.120 1.00 0.00 C ATOM 97 C VAL A 8 11.888 -4.617 -22.442 1.00 0.00 C ATOM 98 O VAL A 8 12.657 -5.558 -22.240 1.00 0.00 O ATOM 99 CB VAL A 8 11.342 -2.467 -21.182 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.330 -1.636 -21.973 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.634 -3.464 -20.261 1.00 0.00 C ATOM 0 H VAL A 8 12.065 -1.493 -23.333 1.00 0.00 H new ATOM 0 HA VAL A 8 13.270 -3.239 -21.597 1.00 0.00 H new ATOM 0 HB VAL A 8 11.919 -1.785 -20.557 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.650 -1.137 -21.283 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.857 -0.889 -22.567 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.760 -2.289 -22.634 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.948 -2.929 -19.604 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.075 -4.181 -20.862 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.374 -3.993 -19.660 1.00 0.00 H new ATOM 111 N LYS A 9 10.665 -4.741 -22.936 1.00 0.00 N ATOM 112 CA LYS A 9 10.128 -6.044 -23.287 1.00 0.00 C ATOM 113 C LYS A 9 9.688 -6.771 -22.014 1.00 0.00 C ATOM 114 O LYS A 9 8.545 -7.212 -21.911 1.00 0.00 O ATOM 115 CB LYS A 9 11.136 -6.831 -24.128 1.00 0.00 C ATOM 116 CG LYS A 9 10.579 -7.125 -25.521 1.00 0.00 C ATOM 117 CD LYS A 9 11.655 -7.727 -26.426 1.00 0.00 C ATOM 118 CE LYS A 9 11.073 -8.113 -27.787 1.00 0.00 C ATOM 119 NZ LYS A 9 11.548 -9.455 -28.193 1.00 0.00 N ATOM 0 H LYS A 9 10.030 -3.960 -23.101 1.00 0.00 H new ATOM 0 HA LYS A 9 9.243 -5.934 -23.913 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.063 -6.264 -24.216 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.381 -7.767 -23.626 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.738 -7.814 -25.442 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.198 -6.206 -25.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.464 -7.009 -26.563 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.087 -8.607 -25.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.984 -8.106 -27.739 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.364 -7.376 -28.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.143 -9.701 -29.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.586 -9.451 -28.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.249 -10.157 -27.487 1.00 0.00 H new ATOM 133 N TYR A 10 10.621 -6.869 -21.077 1.00 0.00 N ATOM 134 CA TYR A 10 10.343 -7.534 -19.815 1.00 0.00 C ATOM 135 C TYR A 10 10.897 -6.729 -18.638 1.00 0.00 C ATOM 136 O TYR A 10 12.106 -6.527 -18.535 1.00 0.00 O ATOM 137 CB TYR A 10 11.065 -8.882 -19.880 1.00 0.00 C ATOM 138 CG TYR A 10 11.983 -9.037 -21.093 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.232 -8.452 -21.092 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.562 -9.763 -22.190 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.098 -8.598 -22.234 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.428 -9.909 -23.332 1.00 0.00 C ATOM 143 CZ TYR A 10 13.653 -9.319 -23.297 1.00 0.00 C ATOM 144 OH TYR A 10 14.470 -9.457 -24.376 1.00 0.00 O ATOM 0 H TYR A 10 11.568 -6.500 -21.166 1.00 0.00 H new ATOM 0 HA TYR A 10 9.269 -7.642 -19.667 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.654 -9.011 -18.972 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.323 -9.680 -19.894 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.561 -7.884 -20.234 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.584 -10.221 -22.192 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.078 -8.145 -22.245 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.112 -10.474 -24.196 1.00 0.00 H new ATOM 0 HH TYR A 10 14.021 -9.998 -25.059 1.00 0.00 H new ATOM 154 N TYR A 11 9.988 -6.293 -17.780 1.00 0.00 N ATOM 155 CA TYR A 11 10.372 -5.514 -16.615 1.00 0.00 C ATOM 156 C TYR A 11 9.802 -6.127 -15.334 1.00 0.00 C ATOM 157 O TYR A 11 8.941 -7.003 -15.391 1.00 0.00 O ATOM 158 CB TYR A 11 9.761 -4.125 -16.816 1.00 0.00 C ATOM 159 CG TYR A 11 10.782 -3.041 -17.165 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.983 -3.387 -17.750 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.503 -1.716 -16.895 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.944 -2.366 -18.078 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.463 -0.696 -17.223 1.00 0.00 C ATOM 164 CZ TYR A 11 12.637 -1.070 -17.799 1.00 0.00 C ATOM 165 OH TYR A 11 13.544 -0.107 -18.109 1.00 0.00 O ATOM 0 H TYR A 11 8.986 -6.464 -17.868 1.00 0.00 H new ATOM 0 HA TYR A 11 11.457 -5.483 -16.515 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.017 -4.178 -17.611 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.235 -3.835 -15.906 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.202 -4.423 -17.962 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.563 -1.445 -16.437 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.888 -2.623 -18.535 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.256 0.344 -17.016 1.00 0.00 H new ATOM 0 HH TYR A 11 13.189 0.770 -17.854 1.00 0.00 H new ATOM 175 N THR A 12 10.306 -5.643 -14.209 1.00 0.00 N ATOM 176 CA THR A 12 9.860 -6.133 -12.916 1.00 0.00 C ATOM 177 C THR A 12 8.985 -5.085 -12.222 1.00 0.00 C ATOM 178 O THR A 12 9.162 -3.887 -12.431 1.00 0.00 O ATOM 179 CB THR A 12 11.096 -6.525 -12.105 1.00 0.00 C ATOM 180 OG1 THR A 12 11.736 -5.283 -11.826 1.00 0.00 O ATOM 181 CG2 THR A 12 12.122 -7.294 -12.939 1.00 0.00 C ATOM 0 H THR A 12 11.020 -4.916 -14.166 1.00 0.00 H new ATOM 0 HA THR A 12 9.232 -7.017 -13.024 1.00 0.00 H new ATOM 0 HB THR A 12 10.793 -7.132 -11.251 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.548 -5.444 -11.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.980 -7.548 -12.316 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.668 -8.208 -13.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.450 -6.674 -13.774 1.00 0.00 H new ATOM 189 N LEU A 13 8.060 -5.578 -11.412 1.00 0.00 N ATOM 190 CA LEU A 13 7.157 -4.701 -10.687 1.00 0.00 C ATOM 191 C LEU A 13 7.952 -3.536 -10.093 1.00 0.00 C ATOM 192 O LEU A 13 7.468 -2.406 -10.051 1.00 0.00 O ATOM 193 CB LEU A 13 6.359 -5.492 -9.648 1.00 0.00 C ATOM 194 CG LEU A 13 4.916 -5.832 -10.027 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.124 -6.301 -8.806 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.241 -4.651 -10.730 1.00 0.00 C ATOM 0 H LEU A 13 7.916 -6.573 -11.242 1.00 0.00 H new ATOM 0 HA LEU A 13 6.418 -4.273 -11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.889 -6.422 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.345 -4.922 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 13 4.935 -6.660 -10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.102 -6.536 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.594 -7.191 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.111 -5.511 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.217 -4.919 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.233 -3.788 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.792 -4.405 -11.638 1.00 0.00 H new ATOM 208 N GLU A 14 9.160 -3.851 -9.649 1.00 0.00 N ATOM 209 CA GLU A 14 10.028 -2.845 -9.060 1.00 0.00 C ATOM 210 C GLU A 14 10.430 -1.810 -10.111 1.00 0.00 C ATOM 211 O GLU A 14 10.222 -0.612 -9.922 1.00 0.00 O ATOM 212 CB GLU A 14 11.261 -3.489 -8.423 1.00 0.00 C ATOM 213 CG GLU A 14 11.278 -3.264 -6.910 1.00 0.00 C ATOM 214 CD GLU A 14 11.902 -4.457 -6.184 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.104 -4.703 -6.425 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.164 -5.097 -5.405 1.00 0.00 O ATOM 0 H GLU A 14 9.558 -4.789 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 14 9.477 -2.335 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.268 -4.558 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.164 -3.070 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.841 -2.359 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.261 -3.107 -6.551 1.00 0.00 H new ATOM 223 N GLU A 15 11.002 -2.309 -11.198 1.00 0.00 N ATOM 224 CA GLU A 15 11.436 -1.442 -12.281 1.00 0.00 C ATOM 225 C GLU A 15 10.324 -0.458 -12.650 1.00 0.00 C ATOM 226 O GLU A 15 10.599 0.692 -12.994 1.00 0.00 O ATOM 227 CB GLU A 15 11.870 -2.262 -13.498 1.00 0.00 C ATOM 228 CG GLU A 15 13.257 -2.872 -13.282 1.00 0.00 C ATOM 229 CD GLU A 15 14.135 -2.687 -14.521 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.244 -1.526 -14.971 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.678 -3.711 -14.990 1.00 0.00 O ATOM 0 H GLU A 15 11.175 -3.302 -11.352 1.00 0.00 H new ATOM 0 HA GLU A 15 12.301 -0.872 -11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.145 -3.055 -13.684 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.882 -1.627 -14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.734 -2.404 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.160 -3.934 -13.055 1.00 0.00 H new ATOM 238 N ILE A 16 9.095 -0.943 -12.566 1.00 0.00 N ATOM 239 CA ILE A 16 7.942 -0.120 -12.888 1.00 0.00 C ATOM 240 C ILE A 16 7.601 0.764 -11.686 1.00 0.00 C ATOM 241 O ILE A 16 7.134 1.890 -11.851 1.00 0.00 O ATOM 242 CB ILE A 16 6.777 -0.991 -13.361 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.264 -2.090 -14.307 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.675 -0.138 -13.992 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.661 -3.445 -13.931 1.00 0.00 C ATOM 0 H ILE A 16 8.872 -1.896 -12.279 1.00 0.00 H new ATOM 0 HA ILE A 16 8.170 0.546 -13.720 1.00 0.00 H new ATOM 0 HB ILE A 16 6.343 -1.484 -12.491 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.992 -1.839 -15.332 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.352 -2.150 -14.271 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.859 -0.782 -14.320 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.302 0.576 -13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.078 0.401 -14.849 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.024 -4.208 -14.619 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.955 -3.704 -12.914 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.574 -3.389 -13.991 1.00 0.00 H new ATOM 257 N GLN A 17 7.847 0.219 -10.503 1.00 0.00 N ATOM 258 CA GLN A 17 7.571 0.944 -9.275 1.00 0.00 C ATOM 259 C GLN A 17 8.485 2.165 -9.162 1.00 0.00 C ATOM 260 O GLN A 17 8.135 3.149 -8.511 1.00 0.00 O ATOM 261 CB GLN A 17 7.721 0.032 -8.055 1.00 0.00 C ATOM 262 CG GLN A 17 6.738 0.426 -6.951 1.00 0.00 C ATOM 263 CD GLN A 17 7.480 0.890 -5.696 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.603 1.364 -5.747 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.791 0.731 -4.570 1.00 0.00 N ATOM 0 H GLN A 17 8.234 -0.715 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 17 6.538 1.290 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.549 -1.004 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.741 0.091 -7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.086 1.223 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.100 -0.423 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.855 0.327 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.199 1.013 -3.678 1.00 0.00 H new ATOM 274 N LYS A 18 9.639 2.064 -9.806 1.00 0.00 N ATOM 275 CA LYS A 18 10.605 3.148 -9.786 1.00 0.00 C ATOM 276 C LYS A 18 10.160 4.240 -10.761 1.00 0.00 C ATOM 277 O LYS A 18 10.417 5.422 -10.533 1.00 0.00 O ATOM 278 CB LYS A 18 12.013 2.615 -10.062 1.00 0.00 C ATOM 279 CG LYS A 18 12.376 1.495 -9.085 1.00 0.00 C ATOM 280 CD LYS A 18 12.799 2.067 -7.730 1.00 0.00 C ATOM 281 CE LYS A 18 14.133 2.809 -7.839 1.00 0.00 C ATOM 282 NZ LYS A 18 14.060 4.110 -7.137 1.00 0.00 N ATOM 0 H LYS A 18 9.926 1.247 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 18 10.648 3.602 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.071 2.243 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.736 3.426 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.522 0.831 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.186 0.894 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.030 2.746 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.886 1.260 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.930 2.202 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.383 2.968 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.973 4.601 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.313 4.694 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.843 3.951 -6.132 1.00 0.00 H new ATOM 296 N HIS A 19 9.499 3.806 -11.824 1.00 0.00 N ATOM 297 CA HIS A 19 9.015 4.734 -12.833 1.00 0.00 C ATOM 298 C HIS A 19 7.575 5.136 -12.512 1.00 0.00 C ATOM 299 O HIS A 19 6.633 4.447 -12.902 1.00 0.00 O ATOM 300 CB HIS A 19 9.165 4.137 -14.235 1.00 0.00 C ATOM 301 CG HIS A 19 10.544 4.302 -14.827 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.760 4.493 -16.181 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.774 4.304 -14.237 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.065 4.603 -16.385 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.692 4.484 -15.178 1.00 0.00 N ATOM 0 H HIS A 19 9.287 2.825 -12.009 1.00 0.00 H new ATOM 0 HA HIS A 19 9.620 5.641 -12.819 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.923 3.075 -14.195 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.437 4.605 -14.898 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.038 4.541 -16.900 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.968 4.180 -13.182 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.548 4.759 -17.338 1.00 0.00 H new ATOM 314 N ASN A 20 7.449 6.249 -11.803 1.00 0.00 N ATOM 315 CA ASN A 20 6.140 6.751 -11.425 1.00 0.00 C ATOM 316 C ASN A 20 6.157 8.281 -11.455 1.00 0.00 C ATOM 317 O ASN A 20 5.357 8.928 -10.782 1.00 0.00 O ATOM 318 CB ASN A 20 5.768 6.310 -10.008 1.00 0.00 C ATOM 319 CG ASN A 20 4.467 6.972 -9.550 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.636 7.274 -10.544 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.233 7.193 -8.373 1.00 0.00 N flip ATOM 0 H ASN A 20 8.233 6.817 -11.481 1.00 0.00 H new ATOM 0 HA ASN A 20 5.410 6.352 -12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.658 5.226 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.573 6.568 -9.320 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.916 6.935 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.355 7.635 -8.102 1.00 0.00 H new ATOM 328 N ASN A 21 7.078 8.815 -12.244 1.00 0.00 N ATOM 329 CA ASN A 21 7.210 10.257 -12.370 1.00 0.00 C ATOM 330 C ASN A 21 6.724 10.689 -13.754 1.00 0.00 C ATOM 331 O ASN A 21 6.604 9.865 -14.659 1.00 0.00 O ATOM 332 CB ASN A 21 8.670 10.691 -12.224 1.00 0.00 C ATOM 333 CG ASN A 21 8.912 11.353 -10.867 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.309 12.357 -10.520 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.825 10.738 -10.120 1.00 0.00 N ATOM 0 H ASN A 21 7.740 8.275 -12.802 1.00 0.00 H new ATOM 0 HA ASN A 21 6.616 10.721 -11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.323 9.825 -12.332 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.928 11.386 -13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.058 11.103 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.292 9.902 -10.471 1.00 0.00 H new ATOM 342 N SER A 22 6.459 11.981 -13.876 1.00 0.00 N ATOM 343 CA SER A 22 5.988 12.534 -15.135 1.00 0.00 C ATOM 344 C SER A 22 7.044 12.328 -16.224 1.00 0.00 C ATOM 345 O SER A 22 6.755 12.473 -17.410 1.00 0.00 O ATOM 346 CB SER A 22 5.654 14.020 -14.995 1.00 0.00 C ATOM 347 OG SER A 22 6.825 14.819 -14.846 1.00 0.00 O ATOM 0 H SER A 22 6.561 12.662 -13.123 1.00 0.00 H new ATOM 0 HA SER A 22 5.075 12.010 -15.418 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.099 14.351 -15.873 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.004 14.166 -14.133 1.00 0.00 H new ATOM 0 HG SER A 22 6.569 15.761 -14.761 1.00 0.00 H new ATOM 353 N LYS A 23 8.247 11.993 -15.781 1.00 0.00 N ATOM 354 CA LYS A 23 9.348 11.766 -16.702 1.00 0.00 C ATOM 355 C LYS A 23 9.503 10.263 -16.945 1.00 0.00 C ATOM 356 O LYS A 23 10.058 9.849 -17.961 1.00 0.00 O ATOM 357 CB LYS A 23 10.621 12.441 -16.191 1.00 0.00 C ATOM 358 CG LYS A 23 11.078 13.546 -17.146 1.00 0.00 C ATOM 359 CD LYS A 23 12.402 14.159 -16.685 1.00 0.00 C ATOM 360 CE LYS A 23 12.831 15.299 -17.610 1.00 0.00 C ATOM 361 NZ LYS A 23 13.207 16.493 -16.821 1.00 0.00 N ATOM 0 H LYS A 23 8.484 11.873 -14.796 1.00 0.00 H new ATOM 0 HA LYS A 23 9.137 12.225 -17.668 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.442 12.862 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.412 11.699 -16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.192 13.139 -18.150 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.314 14.322 -17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.299 14.532 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.175 13.391 -16.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.674 14.980 -18.223 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.018 15.548 -18.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.496 17.257 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.392 16.806 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.998 16.256 -16.188 1.00 0.00 H new ATOM 375 N SER A 24 9.001 9.488 -15.994 1.00 0.00 N ATOM 376 CA SER A 24 9.078 8.041 -16.091 1.00 0.00 C ATOM 377 C SER A 24 7.786 7.412 -15.562 1.00 0.00 C ATOM 378 O SER A 24 7.767 6.859 -14.463 1.00 0.00 O ATOM 379 CB SER A 24 10.286 7.499 -15.324 1.00 0.00 C ATOM 380 OG SER A 24 11.306 7.028 -16.199 1.00 0.00 O ATOM 0 H SER A 24 8.540 9.835 -15.153 1.00 0.00 H new ATOM 0 HA SER A 24 9.201 7.775 -17.141 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.691 8.283 -14.684 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.966 6.688 -14.670 1.00 0.00 H new ATOM 0 HG SER A 24 12.181 7.142 -15.773 1.00 0.00 H new ATOM 386 N THR A 25 6.740 7.519 -16.367 1.00 0.00 N ATOM 387 CA THR A 25 5.449 6.968 -15.993 1.00 0.00 C ATOM 388 C THR A 25 5.279 5.563 -16.574 1.00 0.00 C ATOM 389 O THR A 25 4.933 5.412 -17.745 1.00 0.00 O ATOM 390 CB THR A 25 4.366 7.950 -16.447 1.00 0.00 C ATOM 391 OG1 THR A 25 5.088 9.132 -16.780 1.00 0.00 O ATOM 392 CG2 THR A 25 3.449 8.383 -15.301 1.00 0.00 C ATOM 0 H THR A 25 6.760 7.979 -17.277 1.00 0.00 H new ATOM 0 HA THR A 25 5.368 6.849 -14.913 1.00 0.00 H new ATOM 0 HB THR A 25 3.769 7.492 -17.235 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.525 9.486 -15.977 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.700 9.079 -15.678 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.953 7.508 -14.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.040 8.871 -14.526 1.00 0.00 H new ATOM 400 N TRP A 26 5.531 4.574 -15.731 1.00 0.00 N ATOM 401 CA TRP A 26 5.411 3.187 -16.147 1.00 0.00 C ATOM 402 C TRP A 26 4.361 2.516 -15.258 1.00 0.00 C ATOM 403 O TRP A 26 4.253 2.830 -14.075 1.00 0.00 O ATOM 404 CB TRP A 26 6.768 2.482 -16.105 1.00 0.00 C ATOM 405 CG TRP A 26 7.485 2.429 -17.456 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.744 1.354 -18.211 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.025 3.551 -18.187 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.411 1.696 -19.370 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.587 3.075 -19.355 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.038 4.921 -17.873 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.203 3.902 -20.301 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.660 5.734 -18.828 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.229 5.271 -20.008 1.00 0.00 C ATOM 0 H TRP A 26 5.818 4.705 -14.761 1.00 0.00 H new ATOM 0 HA TRP A 26 5.082 3.123 -17.184 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.408 2.992 -15.385 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.626 1.465 -15.741 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.466 0.345 -17.946 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.718 1.055 -20.102 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.603 5.315 -16.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.635 3.506 -21.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.700 6.796 -18.634 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.689 5.964 -20.696 1.00 0.00 H new ATOM 424 N LEU A 27 3.614 1.606 -15.866 1.00 0.00 N ATOM 425 CA LEU A 27 2.577 0.888 -15.144 1.00 0.00 C ATOM 426 C LEU A 27 2.325 -0.458 -15.827 1.00 0.00 C ATOM 427 O LEU A 27 2.859 -0.722 -16.904 1.00 0.00 O ATOM 428 CB LEU A 27 1.322 1.752 -15.008 1.00 0.00 C ATOM 429 CG LEU A 27 0.344 1.706 -16.183 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.093 1.652 -17.518 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.640 0.544 -16.032 1.00 0.00 C ATOM 0 H LEU A 27 3.706 1.350 -16.849 1.00 0.00 H new ATOM 0 HA LEU A 27 2.901 0.674 -14.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.791 1.446 -14.107 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.632 2.786 -14.860 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.240 2.626 -16.177 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.375 1.620 -18.337 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.720 2.538 -17.620 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.718 0.760 -17.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.324 0.534 -16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.090 -0.396 -15.998 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.208 0.666 -15.110 1.00 0.00 H new ATOM 443 N ILE A 28 1.512 -1.274 -15.173 1.00 0.00 N ATOM 444 CA ILE A 28 1.182 -2.586 -15.704 1.00 0.00 C ATOM 445 C ILE A 28 -0.293 -2.613 -16.105 1.00 0.00 C ATOM 446 O ILE A 28 -1.145 -2.084 -15.392 1.00 0.00 O ATOM 447 CB ILE A 28 1.569 -3.681 -14.706 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.538 -3.143 -13.652 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.129 -4.908 -15.427 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.977 -3.155 -14.173 1.00 0.00 C ATOM 0 H ILE A 28 1.072 -1.052 -14.280 1.00 0.00 H new ATOM 0 HA ILE A 28 1.761 -2.789 -16.605 1.00 0.00 H new ATOM 0 HB ILE A 28 0.668 -4.000 -14.182 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.255 -2.127 -13.378 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.470 -3.748 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.396 -5.670 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.376 -5.306 -16.107 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.015 -4.624 -15.994 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.646 -2.768 -13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.265 -4.176 -14.423 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.047 -2.530 -15.063 1.00 0.00 H new ATOM 462 N LEU A 29 -0.552 -3.236 -17.245 1.00 0.00 N ATOM 463 CA LEU A 29 -1.911 -3.340 -17.750 1.00 0.00 C ATOM 464 C LEU A 29 -2.162 -4.769 -18.237 1.00 0.00 C ATOM 465 O LEU A 29 -1.528 -5.225 -19.187 1.00 0.00 O ATOM 466 CB LEU A 29 -2.169 -2.273 -18.816 1.00 0.00 C ATOM 467 CG LEU A 29 -3.368 -1.354 -18.568 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.832 -0.696 -19.868 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.501 -2.108 -17.870 1.00 0.00 C ATOM 0 H LEU A 29 0.156 -3.674 -17.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.629 -3.143 -16.954 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.276 -1.655 -18.907 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.311 -2.772 -19.775 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.053 -0.554 -17.898 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.685 -0.048 -19.664 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.018 -0.104 -20.286 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.124 -1.466 -20.582 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.340 -1.432 -17.706 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.823 -2.941 -18.495 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.148 -2.489 -16.911 1.00 0.00 H new ATOM 481 N HIS A 30 -3.089 -5.434 -17.566 1.00 0.00 N ATOM 482 CA HIS A 30 -3.433 -6.801 -17.918 1.00 0.00 C ATOM 483 C HIS A 30 -2.320 -7.746 -17.456 1.00 0.00 C ATOM 484 O HIS A 30 -2.567 -8.671 -16.685 1.00 0.00 O ATOM 485 CB HIS A 30 -3.727 -6.920 -19.414 1.00 0.00 C ATOM 486 CG HIS A 30 -4.671 -5.865 -19.940 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.235 -4.658 -20.459 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.033 -5.850 -20.022 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.296 -3.956 -20.832 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.409 -4.696 -20.559 1.00 0.00 N ATOM 0 H HIS A 30 -3.614 -5.052 -16.779 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.348 -7.093 -17.403 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.788 -6.860 -19.964 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.151 -7.904 -19.613 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.263 -4.360 -20.541 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.693 -6.643 -19.704 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.282 -2.971 -21.274 1.00 0.00 H new ATOM 499 N TYR A 31 -1.119 -7.477 -17.947 1.00 0.00 N ATOM 500 CA TYR A 31 0.032 -8.292 -17.596 1.00 0.00 C ATOM 501 C TYR A 31 1.292 -7.794 -18.305 1.00 0.00 C ATOM 502 O TYR A 31 2.349 -8.416 -18.210 1.00 0.00 O ATOM 503 CB TYR A 31 -0.288 -9.707 -18.080 1.00 0.00 C ATOM 504 CG TYR A 31 -0.676 -9.785 -19.558 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.985 -9.576 -19.940 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.284 -10.067 -20.509 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.350 -9.651 -21.331 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.080 -10.140 -21.900 1.00 0.00 C ATOM 509 CZ TYR A 31 -1.380 -9.929 -22.243 1.00 0.00 C ATOM 510 OH TYR A 31 -1.724 -9.999 -23.556 1.00 0.00 O ATOM 0 H TYR A 31 -0.918 -6.707 -18.585 1.00 0.00 H new ATOM 0 HA TYR A 31 0.218 -8.251 -16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.580 -10.344 -17.908 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.103 -10.110 -17.479 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.736 -9.356 -19.196 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.308 -10.233 -20.210 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.371 -9.490 -21.643 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.662 -10.357 -22.654 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.929 -10.204 -24.092 1.00 0.00 H new ATOM 520 N LYS A 32 1.140 -6.678 -19.001 1.00 0.00 N ATOM 521 CA LYS A 32 2.253 -6.091 -19.728 1.00 0.00 C ATOM 522 C LYS A 32 2.637 -4.761 -19.076 1.00 0.00 C ATOM 523 O LYS A 32 2.044 -4.363 -18.073 1.00 0.00 O ATOM 524 CB LYS A 32 1.917 -5.971 -21.217 1.00 0.00 C ATOM 525 CG LYS A 32 1.703 -7.351 -21.842 1.00 0.00 C ATOM 526 CD LYS A 32 0.736 -7.271 -23.025 1.00 0.00 C ATOM 527 CE LYS A 32 1.458 -7.561 -24.343 1.00 0.00 C ATOM 528 NZ LYS A 32 0.482 -7.707 -25.446 1.00 0.00 N ATOM 0 H LYS A 32 0.262 -6.164 -19.077 1.00 0.00 H new ATOM 0 HA LYS A 32 3.128 -6.739 -19.673 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.019 -5.367 -21.344 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.724 -5.454 -21.735 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.659 -7.756 -22.175 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.310 -8.037 -21.092 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.075 -7.986 -22.885 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.284 -6.280 -23.064 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.153 -6.753 -24.569 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.048 -8.472 -24.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.988 -7.903 -26.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.165 -8.493 -25.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.063 -6.827 -25.546 1.00 0.00 H new ATOM 542 N VAL A 33 3.626 -4.109 -19.670 1.00 0.00 N ATOM 543 CA VAL A 33 4.096 -2.833 -19.160 1.00 0.00 C ATOM 544 C VAL A 33 3.899 -1.758 -20.230 1.00 0.00 C ATOM 545 O VAL A 33 4.342 -1.918 -21.366 1.00 0.00 O ATOM 546 CB VAL A 33 5.549 -2.958 -18.697 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.096 -1.603 -18.240 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.684 -4.006 -17.590 1.00 0.00 C ATOM 0 H VAL A 33 4.115 -4.442 -20.501 1.00 0.00 H new ATOM 0 HA VAL A 33 3.516 -2.533 -18.287 1.00 0.00 H new ATOM 0 HB VAL A 33 6.145 -3.291 -19.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.130 -1.719 -17.916 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.052 -0.895 -19.068 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.496 -1.229 -17.411 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.727 -4.075 -17.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.070 -3.716 -16.738 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.352 -4.975 -17.964 1.00 0.00 H new ATOM 558 N TYR A 34 3.234 -0.684 -19.828 1.00 0.00 N ATOM 559 CA TYR A 34 2.973 0.418 -20.740 1.00 0.00 C ATOM 560 C TYR A 34 3.624 1.709 -20.239 1.00 0.00 C ATOM 561 O TYR A 34 3.718 1.935 -19.033 1.00 0.00 O ATOM 562 CB TYR A 34 1.454 0.601 -20.756 1.00 0.00 C ATOM 563 CG TYR A 34 0.675 -0.686 -21.036 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.720 -1.729 -20.135 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.072 -0.802 -22.191 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.013 -2.941 -20.398 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.804 -2.014 -22.455 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.739 -3.023 -21.545 1.00 0.00 C ATOM 569 OH TYR A 34 -1.432 -4.167 -21.795 1.00 0.00 O ATOM 0 H TYR A 34 2.869 -0.553 -18.885 1.00 0.00 H new ATOM 0 HA TYR A 34 3.379 0.203 -21.728 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.137 1.004 -19.794 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.196 1.342 -21.513 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.305 -1.637 -19.232 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.108 0.015 -22.896 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.013 -3.765 -19.701 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.391 -2.119 -23.355 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.411 -4.742 -21.002 1.00 0.00 H new ATOM 579 N ASP A 35 4.059 2.522 -21.189 1.00 0.00 N ATOM 580 CA ASP A 35 4.699 3.785 -20.861 1.00 0.00 C ATOM 581 C ASP A 35 3.632 4.875 -20.732 1.00 0.00 C ATOM 582 O ASP A 35 3.269 5.511 -21.718 1.00 0.00 O ATOM 583 CB ASP A 35 5.679 4.208 -21.956 1.00 0.00 C ATOM 584 CG ASP A 35 6.880 5.021 -21.471 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.750 5.638 -20.393 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.903 5.007 -22.190 1.00 0.00 O ATOM 0 H ASP A 35 3.981 2.331 -22.188 1.00 0.00 H new ATOM 0 HA ASP A 35 5.241 3.654 -19.925 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.045 3.314 -22.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.139 4.795 -22.699 1.00 0.00 H new ATOM 591 N LEU A 36 3.161 5.054 -19.507 1.00 0.00 N ATOM 592 CA LEU A 36 2.143 6.056 -19.237 1.00 0.00 C ATOM 593 C LEU A 36 2.649 7.427 -19.691 1.00 0.00 C ATOM 594 O LEU A 36 1.866 8.267 -20.130 1.00 0.00 O ATOM 595 CB LEU A 36 1.726 6.011 -17.765 1.00 0.00 C ATOM 596 CG LEU A 36 0.751 4.899 -17.378 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.028 5.234 -16.071 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.231 4.610 -18.517 1.00 0.00 C ATOM 0 H LEU A 36 3.465 4.523 -18.691 1.00 0.00 H new ATOM 0 HA LEU A 36 1.239 5.845 -19.808 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.624 5.907 -17.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.275 6.969 -17.506 1.00 0.00 H new ATOM 0 HG LEU A 36 1.323 3.988 -17.206 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.660 4.427 -15.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.759 5.352 -15.271 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.531 6.162 -16.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.914 3.815 -18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.801 5.511 -18.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.321 4.298 -19.403 1.00 0.00 H new ATOM 610 N THR A 37 3.956 7.610 -19.572 1.00 0.00 N ATOM 611 CA THR A 37 4.575 8.863 -19.966 1.00 0.00 C ATOM 612 C THR A 37 4.090 9.285 -21.353 1.00 0.00 C ATOM 613 O THR A 37 3.921 10.475 -21.620 1.00 0.00 O ATOM 614 CB THR A 37 6.093 8.688 -19.881 1.00 0.00 C ATOM 615 OG1 THR A 37 6.451 9.339 -18.663 1.00 0.00 O ATOM 616 CG2 THR A 37 6.836 9.480 -20.958 1.00 0.00 C ATOM 0 H THR A 37 4.603 6.911 -19.208 1.00 0.00 H new ATOM 0 HA THR A 37 4.288 9.673 -19.296 1.00 0.00 H new ATOM 0 HB THR A 37 6.341 7.631 -19.972 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.698 9.299 -18.037 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.909 9.320 -20.852 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.515 9.144 -21.944 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.615 10.541 -20.847 1.00 0.00 H new ATOM 624 N LYS A 38 3.880 8.289 -22.201 1.00 0.00 N ATOM 625 CA LYS A 38 3.418 8.543 -23.554 1.00 0.00 C ATOM 626 C LYS A 38 1.930 8.900 -23.522 1.00 0.00 C ATOM 627 O LYS A 38 1.476 9.749 -24.286 1.00 0.00 O ATOM 628 CB LYS A 38 3.746 7.356 -24.463 1.00 0.00 C ATOM 629 CG LYS A 38 5.086 7.563 -25.173 1.00 0.00 C ATOM 630 CD LYS A 38 4.920 7.480 -26.691 1.00 0.00 C ATOM 631 CE LYS A 38 6.071 6.698 -27.328 1.00 0.00 C ATOM 632 NZ LYS A 38 5.588 5.405 -27.860 1.00 0.00 N ATOM 0 H LYS A 38 4.022 7.304 -21.977 1.00 0.00 H new ATOM 0 HA LYS A 38 3.942 9.398 -23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.781 6.440 -23.873 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.955 7.229 -25.202 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.499 8.534 -24.901 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.799 6.809 -24.840 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.972 6.998 -26.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.882 8.485 -27.112 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.516 7.285 -28.131 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.853 6.524 -26.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.382 4.888 -28.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.184 4.840 -27.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.858 5.577 -28.580 1.00 0.00 H new ATOM 646 N PHE A 39 1.214 8.231 -22.629 1.00 0.00 N ATOM 647 CA PHE A 39 -0.213 8.469 -22.486 1.00 0.00 C ATOM 648 C PHE A 39 -0.521 9.192 -21.173 1.00 0.00 C ATOM 649 O PHE A 39 -1.401 8.774 -20.423 1.00 0.00 O ATOM 650 CB PHE A 39 -0.894 7.099 -22.474 1.00 0.00 C ATOM 651 CG PHE A 39 -2.415 7.160 -22.621 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.973 7.877 -23.634 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.211 6.497 -21.740 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.385 7.932 -23.771 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.624 6.553 -21.877 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.181 7.269 -22.889 1.00 0.00 C ATOM 0 H PHE A 39 1.595 7.525 -21.998 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.570 9.094 -23.304 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.485 6.494 -23.283 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.649 6.591 -21.541 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.342 8.404 -24.334 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.769 5.928 -20.936 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.827 8.500 -24.576 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.256 6.026 -21.177 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.255 7.312 -22.993 1.00 0.00 H new ATOM 666 N LEU A 40 0.224 10.262 -20.935 1.00 0.00 N ATOM 667 CA LEU A 40 0.041 11.045 -19.725 1.00 0.00 C ATOM 668 C LEU A 40 -0.997 12.139 -19.983 1.00 0.00 C ATOM 669 O LEU A 40 -2.117 12.068 -19.481 1.00 0.00 O ATOM 670 CB LEU A 40 1.386 11.579 -19.225 1.00 0.00 C ATOM 671 CG LEU A 40 2.041 10.785 -18.093 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.211 11.563 -17.485 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.011 10.381 -17.037 1.00 0.00 C ATOM 0 H LEU A 40 0.955 10.604 -21.559 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.347 10.420 -18.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.077 11.612 -20.067 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.245 12.606 -18.888 1.00 0.00 H new ATOM 0 HG LEU A 40 2.448 9.865 -18.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.660 10.977 -16.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.958 11.757 -18.255 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.849 12.510 -17.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.504 9.818 -16.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.552 11.275 -16.615 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.242 9.761 -17.498 1.00 0.00 H new ATOM 685 N GLU A 41 -0.587 13.126 -20.766 1.00 0.00 N ATOM 686 CA GLU A 41 -1.468 14.234 -21.098 1.00 0.00 C ATOM 687 C GLU A 41 -2.873 13.719 -21.413 1.00 0.00 C ATOM 688 O GLU A 41 -3.852 14.168 -20.815 1.00 0.00 O ATOM 689 CB GLU A 41 -0.908 15.050 -22.265 1.00 0.00 C ATOM 690 CG GLU A 41 -0.634 14.156 -23.476 1.00 0.00 C ATOM 691 CD GLU A 41 0.285 14.858 -24.478 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.511 14.828 -24.242 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.261 15.409 -25.458 1.00 0.00 O ATOM 0 H GLU A 41 0.343 13.182 -21.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.530 14.895 -20.233 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.615 15.833 -22.539 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.013 15.546 -21.958 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.175 13.223 -23.148 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.575 13.895 -23.961 1.00 0.00 H new ATOM 700 N GLU A 42 -2.930 12.783 -22.349 1.00 0.00 N ATOM 701 CA GLU A 42 -4.199 12.202 -22.751 1.00 0.00 C ATOM 702 C GLU A 42 -4.983 11.737 -21.522 1.00 0.00 C ATOM 703 O GLU A 42 -4.547 11.940 -20.389 1.00 0.00 O ATOM 704 CB GLU A 42 -3.989 11.050 -23.734 1.00 0.00 C ATOM 705 CG GLU A 42 -4.242 11.504 -25.174 1.00 0.00 C ATOM 706 CD GLU A 42 -5.629 11.070 -25.650 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.602 11.396 -24.935 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.686 10.420 -26.717 1.00 0.00 O ATOM 0 H GLU A 42 -2.117 12.412 -22.841 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.781 12.969 -23.261 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.972 10.670 -23.642 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.660 10.228 -23.485 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.155 12.589 -25.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.480 11.084 -25.831 1.00 0.00 H new ATOM 715 N HIS A 43 -6.127 11.122 -21.786 1.00 0.00 N ATOM 716 CA HIS A 43 -6.974 10.626 -20.715 1.00 0.00 C ATOM 717 C HIS A 43 -7.984 11.705 -20.318 1.00 0.00 C ATOM 718 O HIS A 43 -7.630 12.877 -20.196 1.00 0.00 O ATOM 719 CB HIS A 43 -6.131 10.141 -19.535 1.00 0.00 C ATOM 720 CG HIS A 43 -6.756 9.007 -18.758 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.645 9.213 -17.716 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.615 7.656 -18.882 1.00 0.00 C ATOM 723 CE1 HIS A 43 -8.013 8.031 -17.241 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.374 7.068 -17.964 1.00 0.00 N ATOM 0 H HIS A 43 -6.487 10.956 -22.726 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.537 9.760 -21.064 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.157 9.821 -19.905 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.956 10.978 -18.859 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.962 10.119 -17.373 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.992 7.150 -19.604 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.699 7.861 -16.424 1.00 0.00 H new ATOM 733 N PRO A 44 -9.254 11.260 -20.123 1.00 0.00 N ATOM 734 CA PRO A 44 -10.317 12.175 -19.741 1.00 0.00 C ATOM 735 C PRO A 44 -10.195 12.576 -18.271 1.00 0.00 C ATOM 736 O PRO A 44 -11.157 12.473 -17.513 1.00 0.00 O ATOM 737 CB PRO A 44 -11.606 11.429 -20.048 1.00 0.00 C ATOM 738 CG PRO A 44 -11.224 9.960 -20.150 1.00 0.00 C ATOM 739 CD PRO A 44 -9.710 9.879 -20.257 1.00 0.00 C ATOM 0 HA PRO A 44 -10.277 13.117 -20.287 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.345 11.587 -19.262 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.050 11.783 -20.979 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.575 9.413 -19.275 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.693 9.503 -21.021 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.291 9.246 -19.475 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.403 9.451 -21.211 1.00 0.00 H new ATOM 747 N GLY A 45 -9.001 13.026 -17.911 1.00 0.00 N ATOM 748 CA GLY A 45 -8.739 13.444 -16.545 1.00 0.00 C ATOM 749 C GLY A 45 -7.430 14.232 -16.452 1.00 0.00 C ATOM 750 O GLY A 45 -7.389 15.307 -15.857 1.00 0.00 O ATOM 0 H GLY A 45 -8.205 13.110 -18.543 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.564 14.059 -16.185 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.687 12.569 -15.897 1.00 0.00 H new ATOM 754 N GLY A 46 -6.393 13.665 -17.050 1.00 0.00 N ATOM 755 CA GLY A 46 -5.086 14.299 -17.044 1.00 0.00 C ATOM 756 C GLY A 46 -3.968 13.255 -17.014 1.00 0.00 C ATOM 757 O GLY A 46 -4.187 12.097 -17.369 1.00 0.00 O ATOM 0 H GLY A 46 -6.431 12.773 -17.542 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.979 14.926 -17.929 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.000 14.954 -16.177 1.00 0.00 H new ATOM 761 N GLU A 47 -2.796 13.701 -16.589 1.00 0.00 N ATOM 762 CA GLU A 47 -1.644 12.818 -16.509 1.00 0.00 C ATOM 763 C GLU A 47 -1.710 11.974 -15.235 1.00 0.00 C ATOM 764 O GLU A 47 -1.507 10.761 -15.279 1.00 0.00 O ATOM 765 CB GLU A 47 -0.339 13.615 -16.571 1.00 0.00 C ATOM 766 CG GLU A 47 -0.360 14.613 -17.731 1.00 0.00 C ATOM 767 CD GLU A 47 0.083 16.002 -17.267 1.00 0.00 C ATOM 768 OE1 GLU A 47 1.284 16.137 -16.948 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.788 16.898 -17.241 1.00 0.00 O ATOM 0 H GLU A 47 -2.618 14.662 -16.296 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.664 12.147 -17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.189 14.147 -15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.503 12.933 -16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.298 14.265 -18.527 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.365 14.669 -18.149 1.00 0.00 H new ATOM 776 N GLU A 48 -1.994 12.647 -14.131 1.00 0.00 N ATOM 777 CA GLU A 48 -2.090 11.973 -12.847 1.00 0.00 C ATOM 778 C GLU A 48 -2.874 10.667 -12.990 1.00 0.00 C ATOM 779 O GLU A 48 -2.382 9.600 -12.626 1.00 0.00 O ATOM 780 CB GLU A 48 -2.728 12.883 -11.795 1.00 0.00 C ATOM 781 CG GLU A 48 -1.775 13.117 -10.622 1.00 0.00 C ATOM 782 CD GLU A 48 -2.185 14.356 -9.821 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.340 14.366 -9.345 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.334 15.263 -9.703 1.00 0.00 O ATOM 0 H GLU A 48 -2.161 13.653 -14.098 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.082 11.734 -12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.994 13.838 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.653 12.434 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.773 12.243 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.758 13.240 -10.994 1.00 0.00 H new ATOM 791 N VAL A 49 -4.081 10.794 -13.521 1.00 0.00 N ATOM 792 CA VAL A 49 -4.939 9.637 -13.717 1.00 0.00 C ATOM 793 C VAL A 49 -4.076 8.420 -14.059 1.00 0.00 C ATOM 794 O VAL A 49 -4.398 7.298 -13.674 1.00 0.00 O ATOM 795 CB VAL A 49 -5.992 9.941 -14.784 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.354 10.050 -16.170 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.103 8.889 -14.774 1.00 0.00 C ATOM 0 H VAL A 49 -4.486 11.681 -13.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.482 9.404 -12.801 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.441 10.905 -14.545 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.125 10.267 -16.909 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.617 10.853 -16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.865 9.109 -16.421 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.838 9.129 -15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.676 7.907 -14.975 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.588 8.881 -13.798 1.00 0.00 H new ATOM 807 N LEU A 50 -2.994 8.685 -14.779 1.00 0.00 N ATOM 808 CA LEU A 50 -2.084 7.626 -15.177 1.00 0.00 C ATOM 809 C LEU A 50 -0.884 7.608 -14.227 1.00 0.00 C ATOM 810 O LEU A 50 -0.362 6.542 -13.901 1.00 0.00 O ATOM 811 CB LEU A 50 -1.698 7.776 -16.651 1.00 0.00 C ATOM 812 CG LEU A 50 -2.854 7.734 -17.653 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.007 9.075 -18.370 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.684 6.574 -18.637 1.00 0.00 C ATOM 0 H LEU A 50 -2.729 9.617 -15.096 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.572 6.654 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.171 8.722 -16.774 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.994 6.983 -16.905 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.778 7.557 -17.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.835 9.018 -19.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.207 9.858 -17.639 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.088 9.307 -18.907 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.518 6.566 -19.338 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.750 6.696 -19.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.662 5.632 -18.089 1.00 0.00 H new ATOM 826 N ARG A 51 -0.481 8.800 -13.810 1.00 0.00 N ATOM 827 CA ARG A 51 0.647 8.933 -12.904 1.00 0.00 C ATOM 828 C ARG A 51 0.302 8.344 -11.536 1.00 0.00 C ATOM 829 O ARG A 51 1.123 7.664 -10.924 1.00 0.00 O ATOM 830 CB ARG A 51 1.045 10.401 -12.735 1.00 0.00 C ATOM 831 CG ARG A 51 2.562 10.545 -12.598 1.00 0.00 C ATOM 832 CD ARG A 51 2.926 11.311 -11.324 1.00 0.00 C ATOM 833 NE ARG A 51 3.426 12.660 -11.670 1.00 0.00 N ATOM 834 CZ ARG A 51 3.737 13.601 -10.769 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.602 13.345 -9.460 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.182 14.798 -11.175 1.00 0.00 N ATOM 0 H ARG A 51 -0.915 9.682 -14.083 1.00 0.00 H new ATOM 0 HA ARG A 51 1.486 8.387 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.697 10.977 -13.593 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.556 10.815 -11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.024 9.558 -12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.962 11.067 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.053 11.393 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.686 10.764 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 51 3.541 12.888 -12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.263 12.434 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.839 14.061 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.284 14.993 -12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.419 15.514 -10.488 1.00 0.00 H new ATOM 850 N GLU A 52 -0.916 8.626 -11.096 1.00 0.00 N ATOM 851 CA GLU A 52 -1.380 8.133 -9.810 1.00 0.00 C ATOM 852 C GLU A 52 -1.390 6.602 -9.802 1.00 0.00 C ATOM 853 O GLU A 52 -1.470 5.985 -8.741 1.00 0.00 O ATOM 854 CB GLU A 52 -2.766 8.691 -9.476 1.00 0.00 C ATOM 855 CG GLU A 52 -3.840 8.055 -10.358 1.00 0.00 C ATOM 856 CD GLU A 52 -5.239 8.316 -9.792 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.571 7.665 -8.778 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.943 9.161 -10.387 1.00 0.00 O ATOM 0 H GLU A 52 -1.595 9.189 -11.607 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.690 8.478 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.994 8.504 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.770 9.772 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.771 8.458 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.667 6.981 -10.430 1.00 0.00 H new ATOM 865 N GLN A 53 -1.307 6.035 -10.996 1.00 0.00 N ATOM 866 CA GLN A 53 -1.305 4.589 -11.139 1.00 0.00 C ATOM 867 C GLN A 53 0.096 4.094 -11.504 1.00 0.00 C ATOM 868 O GLN A 53 0.434 2.938 -11.253 1.00 0.00 O ATOM 869 CB GLN A 53 -2.334 4.139 -12.178 1.00 0.00 C ATOM 870 CG GLN A 53 -2.091 4.829 -13.523 1.00 0.00 C ATOM 871 CD GLN A 53 -3.140 4.404 -14.554 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.976 3.438 -15.280 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.220 5.178 -14.576 1.00 0.00 N ATOM 0 H GLN A 53 -1.241 6.551 -11.874 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.587 4.148 -10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.280 3.058 -12.305 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.339 4.368 -11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.122 5.911 -13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.095 4.581 -13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.292 5.972 -13.939 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.977 4.978 -15.230 1.00 0.00 H new ATOM 882 N ALA A 54 0.872 4.993 -12.091 1.00 0.00 N ATOM 883 CA ALA A 54 2.230 4.662 -12.492 1.00 0.00 C ATOM 884 C ALA A 54 3.042 4.276 -11.255 1.00 0.00 C ATOM 885 O ALA A 54 2.989 4.960 -10.235 1.00 0.00 O ATOM 886 CB ALA A 54 2.841 5.843 -13.247 1.00 0.00 C ATOM 0 H ALA A 54 0.587 5.950 -12.299 1.00 0.00 H new ATOM 0 HA ALA A 54 2.234 3.807 -13.168 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.859 5.595 -13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.243 6.057 -14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.857 6.720 -12.599 1.00 0.00 H new ATOM 892 N GLY A 55 3.778 3.181 -11.387 1.00 0.00 N ATOM 893 CA GLY A 55 4.601 2.696 -10.293 1.00 0.00 C ATOM 894 C GLY A 55 4.146 1.308 -9.838 1.00 0.00 C ATOM 895 O GLY A 55 4.481 0.872 -8.737 1.00 0.00 O ATOM 0 H GLY A 55 3.821 2.617 -12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.644 2.656 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.547 3.393 -9.456 1.00 0.00 H new ATOM 899 N GLY A 56 3.392 0.654 -10.707 1.00 0.00 N ATOM 900 CA GLY A 56 2.888 -0.677 -10.407 1.00 0.00 C ATOM 901 C GLY A 56 1.746 -1.057 -11.355 1.00 0.00 C ATOM 902 O GLY A 56 1.448 -0.325 -12.297 1.00 0.00 O ATOM 0 H GLY A 56 3.117 1.019 -11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.695 -1.404 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.537 -0.713 -9.376 1.00 0.00 H new ATOM 906 N ASP A 57 1.139 -2.200 -11.069 1.00 0.00 N ATOM 907 CA ASP A 57 0.038 -2.684 -11.883 1.00 0.00 C ATOM 908 C ASP A 57 -1.180 -1.782 -11.674 1.00 0.00 C ATOM 909 O ASP A 57 -1.712 -1.696 -10.569 1.00 0.00 O ATOM 910 CB ASP A 57 -0.355 -4.109 -11.486 1.00 0.00 C ATOM 911 CG ASP A 57 -1.861 -4.356 -11.370 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.589 -3.839 -12.243 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.249 -5.056 -10.410 1.00 0.00 O ATOM 0 H ASP A 57 1.389 -2.804 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 57 0.359 -2.675 -12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.056 -4.801 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.111 -4.345 -10.530 1.00 0.00 H new ATOM 918 N ALA A 58 -1.588 -1.135 -12.756 1.00 0.00 N ATOM 919 CA ALA A 58 -2.734 -0.241 -12.705 1.00 0.00 C ATOM 920 C ALA A 58 -3.988 -1.004 -13.139 1.00 0.00 C ATOM 921 O ALA A 58 -5.105 -0.601 -12.818 1.00 0.00 O ATOM 922 CB ALA A 58 -2.465 0.984 -13.580 1.00 0.00 C ATOM 0 H ALA A 58 -1.147 -1.211 -13.672 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.899 0.115 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.324 1.654 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.581 1.506 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.298 0.666 -14.609 1.00 0.00 H new ATOM 928 N THR A 59 -3.760 -2.091 -13.861 1.00 0.00 N ATOM 929 CA THR A 59 -4.857 -2.913 -14.341 1.00 0.00 C ATOM 930 C THR A 59 -5.861 -3.174 -13.217 1.00 0.00 C ATOM 931 O THR A 59 -7.066 -3.011 -13.403 1.00 0.00 O ATOM 932 CB THR A 59 -4.265 -4.192 -14.935 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.056 -4.434 -16.095 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.512 -5.417 -14.054 1.00 0.00 C ATOM 0 H THR A 59 -2.832 -2.421 -14.125 1.00 0.00 H new ATOM 0 HA THR A 59 -5.419 -2.403 -15.124 1.00 0.00 H new ATOM 0 HB THR A 59 -3.193 -4.061 -15.081 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.759 -3.754 -16.159 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.071 -6.297 -14.522 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.057 -5.260 -13.076 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.585 -5.569 -13.934 1.00 0.00 H new ATOM 942 N GLU A 60 -5.327 -3.575 -12.072 1.00 0.00 N ATOM 943 CA GLU A 60 -6.161 -3.860 -10.916 1.00 0.00 C ATOM 944 C GLU A 60 -7.217 -2.766 -10.742 1.00 0.00 C ATOM 945 O GLU A 60 -8.342 -3.045 -10.326 1.00 0.00 O ATOM 946 CB GLU A 60 -5.313 -4.012 -9.652 1.00 0.00 C ATOM 947 CG GLU A 60 -5.413 -5.432 -9.093 1.00 0.00 C ATOM 948 CD GLU A 60 -5.979 -5.424 -7.671 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.979 -4.702 -7.463 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.401 -6.139 -6.825 1.00 0.00 O ATOM 0 H GLU A 60 -4.327 -3.709 -11.920 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.673 -4.808 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.272 -3.778 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.644 -3.297 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.050 -6.036 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.427 -5.897 -9.093 1.00 0.00 H new ATOM 957 N ASN A 61 -6.816 -1.545 -11.064 1.00 0.00 N ATOM 958 CA ASN A 61 -7.714 -0.408 -10.947 1.00 0.00 C ATOM 959 C ASN A 61 -8.383 -0.152 -12.299 1.00 0.00 C ATOM 960 O ASN A 61 -9.606 -0.050 -12.380 1.00 0.00 O ATOM 961 CB ASN A 61 -6.950 0.856 -10.549 1.00 0.00 C ATOM 962 CG ASN A 61 -7.569 1.502 -9.308 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.586 2.174 -9.366 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.901 1.261 -8.182 1.00 0.00 N ATOM 0 H ASN A 61 -5.882 -1.318 -11.406 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.454 -0.638 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.907 0.608 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.959 1.566 -11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.234 1.647 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.056 0.690 -8.203 1.00 0.00 H new ATOM 971 N PHE A 62 -7.551 -0.053 -13.326 1.00 0.00 N ATOM 972 CA PHE A 62 -8.049 0.190 -14.669 1.00 0.00 C ATOM 973 C PHE A 62 -9.179 -0.780 -15.021 1.00 0.00 C ATOM 974 O PHE A 62 -9.977 -0.510 -15.916 1.00 0.00 O ATOM 975 CB PHE A 62 -6.878 -0.041 -15.628 1.00 0.00 C ATOM 976 CG PHE A 62 -7.225 -0.911 -16.836 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.390 -2.253 -16.684 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.369 -0.343 -18.064 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.713 -3.060 -17.807 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.692 -1.151 -19.186 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.857 -2.493 -19.034 1.00 0.00 C ATOM 0 H PHE A 62 -6.537 -0.137 -13.255 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.442 1.204 -14.741 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.515 0.924 -15.981 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.060 -0.508 -15.080 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.275 -2.704 -15.710 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.238 0.722 -18.185 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.844 -4.125 -17.686 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.807 -0.700 -20.161 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.102 -3.107 -19.888 1.00 0.00 H new ATOM 991 N GLU A 63 -9.209 -1.889 -14.297 1.00 0.00 N ATOM 992 CA GLU A 63 -10.227 -2.901 -14.521 1.00 0.00 C ATOM 993 C GLU A 63 -11.494 -2.562 -13.732 1.00 0.00 C ATOM 994 O GLU A 63 -12.605 -2.817 -14.197 1.00 0.00 O ATOM 995 CB GLU A 63 -9.709 -4.293 -14.152 1.00 0.00 C ATOM 996 CG GLU A 63 -9.225 -5.044 -15.393 1.00 0.00 C ATOM 997 CD GLU A 63 -10.126 -6.243 -15.695 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.235 -6.001 -16.219 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.686 -7.374 -15.396 1.00 0.00 O ATOM 0 H GLU A 63 -8.545 -2.109 -13.555 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.473 -2.911 -15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.893 -4.203 -13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.500 -4.862 -13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.213 -4.369 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.201 -5.384 -15.240 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.286 -1.992 -12.556 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.398 -1.616 -11.699 1.00 0.00 C ATOM 1008 C ASP A 64 -13.177 -0.474 -12.354 1.00 0.00 C ATOM 1009 O ASP A 64 -14.359 -0.283 -12.074 1.00 0.00 O ATOM 1010 CB ASP A 64 -11.903 -1.127 -10.337 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.845 -0.162 -9.613 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.712 -0.667 -8.867 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.677 1.058 -9.824 1.00 0.00 O ATOM 0 H ASP A 64 -10.364 -1.781 -12.175 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.028 -2.494 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.733 -1.993 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.939 -0.636 -10.473 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.484 0.255 -13.218 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.096 1.372 -13.915 1.00 0.00 C ATOM 1020 C VAL A 65 -13.678 0.882 -15.242 1.00 0.00 C ATOM 1021 O VAL A 65 -14.179 1.677 -16.037 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.078 2.502 -14.090 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.712 2.099 -13.530 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.968 2.918 -15.557 1.00 0.00 C ATOM 0 H VAL A 65 -11.504 0.093 -13.450 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.919 1.782 -13.330 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.432 3.364 -13.524 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.007 2.919 -13.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.806 1.874 -12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.349 1.216 -14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.238 3.722 -15.653 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.648 2.064 -16.154 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.939 3.265 -15.911 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.591 -0.425 -15.443 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.103 -1.031 -16.661 1.00 0.00 C ATOM 1036 C GLY A 66 -13.797 -0.157 -17.878 1.00 0.00 C ATOM 1037 O GLY A 66 -14.685 0.506 -18.411 1.00 0.00 O ATOM 0 H GLY A 66 -13.174 -1.081 -14.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.658 -2.017 -16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.180 -1.176 -16.574 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.536 -0.186 -18.284 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.100 0.595 -19.430 1.00 0.00 C ATOM 1043 C HIS A 67 -12.740 0.039 -20.703 1.00 0.00 C ATOM 1044 O HIS A 67 -13.509 -0.919 -20.648 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.573 0.643 -19.506 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.946 1.688 -18.615 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.871 1.553 -17.239 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.367 2.886 -18.916 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.271 2.627 -16.746 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.960 3.451 -17.787 1.00 0.00 N ATOM 0 H HIS A 67 -11.802 -0.738 -17.840 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.432 1.627 -19.319 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.175 -0.335 -19.237 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.277 0.835 -20.537 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.218 0.762 -16.697 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.258 3.304 -19.906 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.065 2.816 -15.703 1.00 0.00 H new ATOM 1059 N SER A 68 -12.399 0.663 -21.820 1.00 0.00 N ATOM 1060 CA SER A 68 -12.930 0.243 -23.107 1.00 0.00 C ATOM 1061 C SER A 68 -11.854 -0.503 -23.898 1.00 0.00 C ATOM 1062 O SER A 68 -10.668 -0.194 -23.784 1.00 0.00 O ATOM 1063 CB SER A 68 -13.445 1.440 -23.907 1.00 0.00 C ATOM 1064 OG SER A 68 -12.422 2.029 -24.704 1.00 0.00 O ATOM 0 H SER A 68 -11.761 1.457 -21.862 1.00 0.00 H new ATOM 0 HA SER A 68 -13.770 -0.428 -22.929 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.266 1.121 -24.549 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.847 2.187 -23.223 1.00 0.00 H new ATOM 0 HG SER A 68 -12.282 2.957 -24.423 1.00 0.00 H new ATOM 1070 N THR A 69 -12.307 -1.470 -24.683 1.00 0.00 N ATOM 1071 CA THR A 69 -11.397 -2.262 -25.494 1.00 0.00 C ATOM 1072 C THR A 69 -10.484 -1.350 -26.315 1.00 0.00 C ATOM 1073 O THR A 69 -9.394 -1.757 -26.717 1.00 0.00 O ATOM 1074 CB THR A 69 -12.235 -3.213 -26.351 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.595 -4.261 -25.454 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.406 -3.914 -27.429 1.00 0.00 C ATOM 0 H THR A 69 -13.291 -1.723 -24.775 1.00 0.00 H new ATOM 0 HA THR A 69 -10.732 -2.861 -24.872 1.00 0.00 H new ATOM 0 HB THR A 69 -13.047 -2.658 -26.821 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.142 -4.923 -25.927 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.049 -4.577 -28.008 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.964 -3.169 -28.090 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.614 -4.497 -26.958 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.961 -0.135 -26.540 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.200 0.838 -27.307 1.00 0.00 C ATOM 1086 C ASP A 70 -9.029 1.343 -26.462 1.00 0.00 C ATOM 1087 O ASP A 70 -7.899 1.418 -26.940 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.066 2.041 -27.683 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.399 3.048 -28.622 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.602 2.594 -29.470 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.703 4.252 -28.470 1.00 0.00 O ATOM 0 H ASP A 70 -11.865 0.199 -26.205 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.847 0.350 -28.216 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.980 1.679 -28.153 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.360 2.558 -26.770 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.341 1.679 -25.217 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.329 2.176 -24.301 1.00 0.00 C ATOM 1098 C ALA A 71 -7.236 1.119 -24.133 1.00 0.00 C ATOM 1099 O ALA A 71 -6.049 1.443 -24.131 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.985 2.552 -22.971 1.00 0.00 C ATOM 0 H ALA A 71 -10.280 1.616 -24.823 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.860 3.075 -24.699 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.226 2.925 -22.283 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.733 3.326 -23.140 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.464 1.673 -22.540 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.674 -0.123 -23.998 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.746 -1.230 -23.830 1.00 0.00 C ATOM 1108 C ARG A 72 -5.865 -1.377 -25.071 1.00 0.00 C ATOM 1109 O ARG A 72 -4.666 -1.626 -24.960 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.494 -2.542 -23.585 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.555 -2.374 -22.495 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.296 -3.689 -22.244 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.137 -3.571 -21.031 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.587 -4.617 -20.324 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.276 -5.865 -20.703 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.344 -4.417 -19.238 1.00 0.00 N ATOM 0 H ARG A 72 -8.659 -0.389 -24.001 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.123 -1.012 -22.962 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.967 -2.873 -24.510 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.787 -3.318 -23.293 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.083 -2.036 -21.572 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.266 -1.602 -22.790 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.917 -3.936 -23.105 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.580 -4.502 -22.123 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.390 -2.635 -20.714 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.697 -6.018 -21.529 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.618 -6.661 -20.165 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.579 -3.468 -18.948 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.686 -5.214 -18.701 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.496 -1.218 -26.227 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.783 -1.329 -27.488 1.00 0.00 C ATOM 1132 C GLU A 73 -4.846 -0.135 -27.677 1.00 0.00 C ATOM 1133 O GLU A 73 -3.737 -0.286 -28.187 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.759 -1.451 -28.661 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.187 -2.906 -28.869 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.210 -3.020 -30.001 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.108 -2.202 -30.941 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.068 -3.921 -29.901 1.00 0.00 O ATOM 0 H GLU A 73 -7.491 -1.014 -26.316 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.181 -2.237 -27.462 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.637 -0.833 -28.474 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.291 -1.072 -29.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.314 -3.516 -29.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.615 -3.298 -27.946 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.327 1.025 -27.255 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.546 2.246 -27.371 1.00 0.00 C ATOM 1147 C LEU A 74 -3.244 2.090 -26.583 1.00 0.00 C ATOM 1148 O LEU A 74 -2.183 2.510 -27.041 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.379 3.457 -26.949 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.875 4.223 -25.723 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -4.085 5.465 -26.140 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.031 4.568 -24.780 1.00 0.00 C ATOM 0 H LEU A 74 -6.247 1.146 -26.832 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.271 2.425 -28.410 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.430 4.149 -27.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.397 3.122 -26.750 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.191 3.577 -25.172 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.738 5.991 -25.251 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.227 5.165 -26.742 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.726 6.125 -26.725 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.647 5.112 -23.917 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.757 5.188 -25.306 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.514 3.650 -24.445 1.00 0.00 H new ATOM 1164 N SER A 75 -3.368 1.484 -25.411 1.00 0.00 N ATOM 1165 CA SER A 75 -2.214 1.267 -24.556 1.00 0.00 C ATOM 1166 C SER A 75 -1.206 0.355 -25.256 1.00 0.00 C ATOM 1167 O SER A 75 -0.005 0.436 -24.999 1.00 0.00 O ATOM 1168 CB SER A 75 -2.630 0.664 -23.212 1.00 0.00 C ATOM 1169 OG SER A 75 -4.044 0.663 -23.043 1.00 0.00 O ATOM 0 H SER A 75 -4.250 1.137 -25.034 1.00 0.00 H new ATOM 0 HA SER A 75 -1.747 2.233 -24.363 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.256 -0.357 -23.141 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.168 1.229 -22.402 1.00 0.00 H new ATOM 0 HG SER A 75 -4.418 1.491 -23.410 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.730 -0.493 -26.129 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.891 -1.420 -26.871 1.00 0.00 C ATOM 1177 C LYS A 76 0.137 -0.631 -27.685 1.00 0.00 C ATOM 1178 O LYS A 76 1.242 -1.112 -27.932 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.750 -2.364 -27.713 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.708 -1.973 -29.191 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.647 -2.852 -30.019 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.288 -2.792 -31.505 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.608 -4.076 -32.167 1.00 0.00 N ATOM 0 H LYS A 76 -2.726 -0.558 -26.339 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.333 -2.060 -26.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.395 -3.388 -27.594 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.780 -2.340 -27.356 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.992 -0.927 -29.302 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.689 -2.068 -29.567 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.589 -3.883 -29.669 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.677 -2.525 -29.877 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.836 -1.982 -31.985 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.227 -2.571 -31.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.358 -4.019 -33.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.066 -4.842 -31.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.625 -4.271 -32.073 1.00 0.00 H new ATOM 1197 N THR A 77 -0.265 0.568 -28.082 1.00 0.00 N ATOM 1198 CA THR A 77 0.606 1.428 -28.864 1.00 0.00 C ATOM 1199 C THR A 77 1.647 2.095 -27.962 1.00 0.00 C ATOM 1200 O THR A 77 2.629 2.654 -28.448 1.00 0.00 O ATOM 1201 CB THR A 77 -0.270 2.427 -29.621 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.593 2.956 -30.624 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.642 3.643 -28.771 1.00 0.00 C ATOM 0 H THR A 77 -1.182 0.964 -27.876 1.00 0.00 H new ATOM 0 HA THR A 77 1.175 0.854 -29.595 1.00 0.00 H new ATOM 0 HB THR A 77 -1.179 1.929 -29.958 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.518 2.943 -30.300 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.264 4.320 -29.357 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.193 3.316 -27.889 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.265 4.161 -28.461 1.00 0.00 H new ATOM 1211 N PHE A 78 1.395 2.016 -26.664 1.00 0.00 N ATOM 1212 CA PHE A 78 2.298 2.605 -25.689 1.00 0.00 C ATOM 1213 C PHE A 78 3.085 1.523 -24.945 1.00 0.00 C ATOM 1214 O PHE A 78 4.005 1.829 -24.191 1.00 0.00 O ATOM 1215 CB PHE A 78 1.435 3.371 -24.685 1.00 0.00 C ATOM 1216 CG PHE A 78 0.836 4.665 -25.239 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.604 5.507 -25.980 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.466 4.974 -24.993 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.050 6.709 -26.495 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.020 6.175 -25.507 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.251 7.017 -26.247 1.00 0.00 C ATOM 0 H PHE A 78 0.579 1.553 -26.264 1.00 0.00 H new ATOM 0 HA PHE A 78 3.013 3.256 -26.191 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.626 2.723 -24.348 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.039 3.608 -23.809 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.637 5.262 -26.177 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.078 4.305 -24.406 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.661 7.378 -27.083 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.053 6.420 -25.310 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.673 7.931 -26.638 1.00 0.00 H new ATOM 1231 N ILE A 79 2.692 0.281 -25.186 1.00 0.00 N ATOM 1232 CA ILE A 79 3.349 -0.848 -24.548 1.00 0.00 C ATOM 1233 C ILE A 79 4.835 -0.835 -24.906 1.00 0.00 C ATOM 1234 O ILE A 79 5.196 -0.796 -26.081 1.00 0.00 O ATOM 1235 CB ILE A 79 2.640 -2.155 -24.912 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.467 -2.424 -23.966 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.627 -3.323 -24.945 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.043 -3.894 -24.022 1.00 0.00 C ATOM 0 H ILE A 79 1.928 0.031 -25.814 1.00 0.00 H new ATOM 0 HA ILE A 79 3.281 -0.766 -23.463 1.00 0.00 H new ATOM 0 HB ILE A 79 2.228 -2.052 -25.916 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.750 -2.162 -22.946 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.624 -1.788 -24.236 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.098 -4.239 -25.206 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.399 -3.126 -25.688 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.088 -3.437 -23.964 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.208 -4.058 -23.341 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.738 -4.146 -25.038 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.881 -4.526 -23.728 1.00 0.00 H new ATOM 1250 N ILE A 80 5.661 -0.871 -23.869 1.00 0.00 N ATOM 1251 CA ILE A 80 7.102 -0.862 -24.059 1.00 0.00 C ATOM 1252 C ILE A 80 7.664 -2.242 -23.713 1.00 0.00 C ATOM 1253 O ILE A 80 8.730 -2.621 -24.196 1.00 0.00 O ATOM 1254 CB ILE A 80 7.741 0.279 -23.266 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.842 0.712 -22.106 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.097 1.451 -24.183 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.869 -0.321 -20.976 1.00 0.00 C ATOM 0 H ILE A 80 5.359 -0.906 -22.895 1.00 0.00 H new ATOM 0 HA ILE A 80 7.348 -0.668 -25.103 1.00 0.00 H new ATOM 0 HB ILE A 80 8.672 -0.086 -22.833 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.172 1.679 -21.727 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.820 0.841 -22.462 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.550 2.249 -23.594 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.802 1.116 -24.944 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.193 1.824 -24.665 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.222 0.011 -20.164 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.516 -1.281 -21.352 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.889 -0.429 -20.606 1.00 0.00 H new ATOM 1269 N GLY A 81 6.923 -2.955 -22.876 1.00 0.00 N ATOM 1270 CA GLY A 81 7.335 -4.284 -22.460 1.00 0.00 C ATOM 1271 C GLY A 81 6.192 -5.014 -21.751 1.00 0.00 C ATOM 1272 O GLY A 81 5.022 -4.721 -21.987 1.00 0.00 O ATOM 0 H GLY A 81 6.041 -2.637 -22.476 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.655 -4.859 -23.329 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.194 -4.211 -21.793 1.00 0.00 H new ATOM 1276 N GLU A 82 6.573 -5.953 -20.897 1.00 0.00 N ATOM 1277 CA GLU A 82 5.595 -6.728 -20.152 1.00 0.00 C ATOM 1278 C GLU A 82 6.188 -7.192 -18.819 1.00 0.00 C ATOM 1279 O GLU A 82 7.408 -7.234 -18.660 1.00 0.00 O ATOM 1280 CB GLU A 82 5.097 -7.919 -20.973 1.00 0.00 C ATOM 1281 CG GLU A 82 5.285 -7.667 -22.471 1.00 0.00 C ATOM 1282 CD GLU A 82 4.758 -8.844 -23.294 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.985 -9.638 -22.719 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.143 -8.923 -24.481 1.00 0.00 O ATOM 0 H GLU A 82 7.545 -6.195 -20.704 1.00 0.00 H new ATOM 0 HA GLU A 82 4.738 -6.088 -19.944 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.638 -8.819 -20.681 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.043 -8.098 -20.760 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.763 -6.755 -22.758 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.342 -7.511 -22.688 1.00 0.00 H new ATOM 1291 N LEU A 83 5.299 -7.529 -17.897 1.00 0.00 N ATOM 1292 CA LEU A 83 5.719 -7.989 -16.584 1.00 0.00 C ATOM 1293 C LEU A 83 6.370 -9.366 -16.715 1.00 0.00 C ATOM 1294 O LEU A 83 5.760 -10.298 -17.242 1.00 0.00 O ATOM 1295 CB LEU A 83 4.547 -7.953 -15.603 1.00 0.00 C ATOM 1296 CG LEU A 83 4.914 -7.909 -14.118 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.344 -8.401 -13.894 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.691 -6.511 -13.539 1.00 0.00 C ATOM 0 H LEU A 83 4.289 -7.493 -18.033 1.00 0.00 H new ATOM 0 HA LEU A 83 6.472 -7.319 -16.169 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.935 -7.080 -15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.926 -8.832 -15.777 1.00 0.00 H new ATOM 0 HG LEU A 83 4.251 -8.588 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.581 -8.360 -12.831 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.435 -9.428 -14.247 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.038 -7.766 -14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.959 -6.508 -12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.312 -5.792 -14.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.642 -6.235 -13.648 1.00 0.00 H new ATOM 1310 N HIS A 84 7.597 -9.455 -16.227 1.00 0.00 N ATOM 1311 CA HIS A 84 8.338 -10.705 -16.283 1.00 0.00 C ATOM 1312 C HIS A 84 7.788 -11.675 -15.234 1.00 0.00 C ATOM 1313 O HIS A 84 6.777 -11.391 -14.591 1.00 0.00 O ATOM 1314 CB HIS A 84 9.838 -10.455 -16.130 1.00 0.00 C ATOM 1315 CG HIS A 84 10.672 -11.014 -17.260 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.306 -11.530 -18.467 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.053 -11.080 -17.210 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.403 -11.892 -19.121 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.489 -11.615 -18.342 1.00 0.00 N flip ATOM 0 H HIS A 84 8.099 -8.682 -15.790 1.00 0.00 H new ATOM 0 HA HIS A 84 8.204 -11.167 -17.261 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.012 -9.381 -16.060 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.175 -10.894 -15.191 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.671 -10.751 -16.388 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.431 -12.333 -20.107 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.464 -11.789 -18.587 1.00 0.00 H new ATOM 1328 N PRO A 85 8.496 -12.826 -15.090 1.00 0.00 N ATOM 1329 CA PRO A 85 8.090 -13.839 -14.129 1.00 0.00 C ATOM 1330 C PRO A 85 8.432 -13.408 -12.700 1.00 0.00 C ATOM 1331 O PRO A 85 8.322 -14.201 -11.767 1.00 0.00 O ATOM 1332 CB PRO A 85 8.817 -15.102 -14.559 1.00 0.00 C ATOM 1333 CG PRO A 85 9.956 -14.643 -15.455 1.00 0.00 C ATOM 1334 CD PRO A 85 9.697 -13.194 -15.833 1.00 0.00 C ATOM 0 HA PRO A 85 7.012 -14.000 -14.117 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.196 -15.648 -13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.147 -15.776 -15.093 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.911 -14.738 -14.937 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.014 -15.266 -16.348 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.540 -12.558 -15.563 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.547 -13.086 -16.907 1.00 0.00 H new ATOM 1342 N ASP A 86 8.839 -12.154 -12.577 1.00 0.00 N ATOM 1343 CA ASP A 86 9.197 -11.609 -11.279 1.00 0.00 C ATOM 1344 C ASP A 86 7.925 -11.206 -10.530 1.00 0.00 C ATOM 1345 O ASP A 86 7.908 -11.174 -9.300 1.00 0.00 O ATOM 1346 CB ASP A 86 10.073 -10.363 -11.427 1.00 0.00 C ATOM 1347 CG ASP A 86 9.777 -9.243 -10.427 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.330 -9.320 -9.308 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.006 -8.333 -10.804 1.00 0.00 O ATOM 0 H ASP A 86 8.929 -11.500 -13.354 1.00 0.00 H new ATOM 0 HA ASP A 86 9.748 -12.375 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.117 -10.657 -11.322 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.952 -9.970 -12.436 1.00 0.00 H new ATOM 1354 N ASP A 87 6.890 -10.911 -11.303 1.00 0.00 N ATOM 1355 CA ASP A 87 5.617 -10.514 -10.728 1.00 0.00 C ATOM 1356 C ASP A 87 4.506 -10.732 -11.758 1.00 0.00 C ATOM 1357 O ASP A 87 3.612 -9.900 -11.897 1.00 0.00 O ATOM 1358 CB ASP A 87 5.624 -9.031 -10.348 1.00 0.00 C ATOM 1359 CG ASP A 87 5.747 -8.749 -8.849 1.00 0.00 C ATOM 1360 OD1 ASP A 87 4.718 -8.903 -8.156 1.00 0.00 O ATOM 1361 OD2 ASP A 87 6.866 -8.384 -8.430 1.00 0.00 O ATOM 0 H ASP A 87 6.908 -10.939 -12.322 1.00 0.00 H new ATOM 0 HA ASP A 87 5.448 -11.116 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.451 -8.543 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.705 -8.573 -10.715 1.00 0.00 H new ATOM 1366 N ARG A 88 4.603 -11.855 -12.454 1.00 0.00 N ATOM 1367 CA ARG A 88 3.617 -12.194 -13.468 1.00 0.00 C ATOM 1368 C ARG A 88 2.422 -12.904 -12.829 1.00 0.00 C ATOM 1369 O ARG A 88 1.350 -12.315 -12.684 1.00 0.00 O ATOM 1370 CB ARG A 88 4.222 -13.097 -14.544 1.00 0.00 C ATOM 1371 CG ARG A 88 4.428 -12.329 -15.851 1.00 0.00 C ATOM 1372 CD ARG A 88 5.329 -13.111 -16.810 1.00 0.00 C ATOM 1373 NE ARG A 88 4.524 -13.667 -17.920 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.032 -14.037 -19.102 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.345 -13.912 -19.338 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.226 -14.532 -20.053 1.00 0.00 N ATOM 0 H ARG A 88 5.348 -12.542 -12.337 1.00 0.00 H new ATOM 0 HA ARG A 88 3.286 -11.265 -13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.176 -13.494 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.567 -13.950 -14.719 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.464 -12.142 -16.323 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.873 -11.357 -15.639 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.107 -12.458 -17.206 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.831 -13.917 -16.275 1.00 0.00 H new ATOM 0 HE ARG A 88 3.520 -13.775 -17.776 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.959 -13.534 -18.616 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.730 -14.194 -20.239 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.226 -14.626 -19.876 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.613 -14.814 -20.954 1.00 0.00 H new ATOM 1390 N SER A 89 2.644 -14.158 -12.463 1.00 0.00 N ATOM 1391 CA SER A 89 1.598 -14.954 -11.844 1.00 0.00 C ATOM 1392 C SER A 89 1.271 -14.399 -10.456 1.00 0.00 C ATOM 1393 O SER A 89 0.906 -15.151 -9.554 1.00 0.00 O ATOM 1394 CB SER A 89 2.011 -16.424 -11.745 1.00 0.00 C ATOM 1395 OG SER A 89 0.910 -17.303 -11.950 1.00 0.00 O ATOM 0 H SER A 89 3.533 -14.642 -12.583 1.00 0.00 H new ATOM 0 HA SER A 89 0.708 -14.896 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.785 -16.634 -12.484 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.448 -16.613 -10.764 1.00 0.00 H new ATOM 0 HG SER A 89 1.215 -18.232 -11.880 1.00 0.00 H new ATOM 1401 N LYS A 90 1.414 -13.088 -10.329 1.00 0.00 N ATOM 1402 CA LYS A 90 1.138 -12.424 -9.066 1.00 0.00 C ATOM 1403 C LYS A 90 0.184 -11.253 -9.308 1.00 0.00 C ATOM 1404 O LYS A 90 -0.658 -10.949 -8.465 1.00 0.00 O ATOM 1405 CB LYS A 90 2.443 -12.022 -8.377 1.00 0.00 C ATOM 1406 CG LYS A 90 2.669 -12.845 -7.107 1.00 0.00 C ATOM 1407 CD LYS A 90 1.920 -12.239 -5.918 1.00 0.00 C ATOM 1408 CE LYS A 90 0.963 -13.257 -5.296 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.299 -13.480 -3.871 1.00 0.00 N ATOM 0 H LYS A 90 1.717 -12.468 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 90 0.638 -13.106 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.279 -12.166 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.415 -10.961 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.333 -13.869 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.735 -12.891 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.635 -11.901 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.361 -11.362 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.063 -12.900 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.020 -14.199 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.640 -14.174 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.272 -13.841 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.222 -12.582 -3.352 1.00 0.00 H new ATOM 1423 N ILE A 91 0.348 -10.628 -10.465 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.489 -9.496 -10.829 1.00 0.00 C ATOM 1425 C ILE A 91 -1.073 -9.728 -12.224 1.00 0.00 C ATOM 1426 O ILE A 91 -2.203 -9.330 -12.500 1.00 0.00 O ATOM 1427 CB ILE A 91 0.294 -8.187 -10.699 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.732 -7.673 -12.071 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.475 -8.348 -9.741 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.697 -6.494 -11.930 1.00 0.00 C ATOM 0 H ILE A 91 1.047 -10.883 -11.162 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.330 -9.407 -10.142 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.366 -7.434 -10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.213 -8.477 -12.628 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.142 -7.366 -12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.014 -7.404 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.108 -8.635 -8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.146 -9.120 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.994 -6.146 -12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.205 -5.683 -11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.581 -6.811 -11.377 1.00 0.00 H new ATOM 1442 N THR A 92 -0.277 -10.371 -13.065 1.00 0.00 N ATOM 1443 CA THR A 92 -0.702 -10.660 -14.424 1.00 0.00 C ATOM 1444 C THR A 92 -2.188 -11.020 -14.453 1.00 0.00 C ATOM 1445 O THR A 92 -2.899 -10.659 -15.390 1.00 0.00 O ATOM 1446 CB THR A 92 0.202 -11.764 -14.977 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.045 -11.744 -16.380 1.00 0.00 O ATOM 1448 CG2 THR A 92 -0.243 -13.160 -14.538 1.00 0.00 C ATOM 0 H THR A 92 0.660 -10.700 -12.832 1.00 0.00 H new ATOM 0 HA THR A 92 -0.600 -9.784 -15.065 1.00 0.00 H new ATOM 0 HB THR A 92 1.227 -11.592 -14.650 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.502 -12.429 -16.818 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.432 -13.906 -14.958 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.222 -13.223 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.256 -13.347 -14.893 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.614 -11.727 -13.417 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.002 -12.140 -13.313 1.00 0.00 C ATOM 1458 C LYS A 93 -4.721 -11.247 -12.298 1.00 0.00 C ATOM 1459 O LYS A 93 -4.155 -10.897 -11.264 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.094 -13.633 -12.990 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.553 -14.087 -12.908 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.660 -15.479 -12.280 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.662 -15.482 -11.124 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.639 -16.785 -10.423 1.00 0.00 N ATOM 0 H LYS A 93 -2.021 -12.024 -12.642 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.510 -12.011 -14.269 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.573 -14.207 -13.756 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.593 -13.836 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.127 -13.373 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.990 -14.100 -13.906 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.969 -16.200 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.681 -15.795 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.422 -14.681 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.665 -15.284 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.325 -16.771 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.890 -17.542 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.686 -16.959 -10.045 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.989 -10.896 -12.639 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.791 -10.050 -11.771 1.00 0.00 C ATOM 1480 C PRO A 94 -7.297 -10.833 -10.557 1.00 0.00 C ATOM 1481 O PRO A 94 -6.883 -11.969 -10.332 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.914 -9.532 -12.653 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.968 -10.467 -13.851 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.692 -11.292 -13.857 1.00 0.00 C ATOM 0 HA PRO A 94 -6.221 -9.223 -11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.863 -9.530 -12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.723 -8.506 -12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.842 -11.116 -13.790 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.058 -9.897 -14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.911 -12.360 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.093 -11.088 -14.744 1.00 0.00 H new ATOM 1492 N SER A 95 -8.184 -10.195 -9.810 1.00 0.00 N ATOM 1493 CA SER A 95 -8.751 -10.818 -8.625 1.00 0.00 C ATOM 1494 C SER A 95 -10.266 -10.612 -8.601 1.00 0.00 C ATOM 1495 O SER A 95 -10.814 -9.899 -9.440 1.00 0.00 O ATOM 1496 CB SER A 95 -8.118 -10.255 -7.351 1.00 0.00 C ATOM 1497 OG SER A 95 -8.364 -8.858 -7.204 1.00 0.00 O ATOM 0 H SER A 95 -8.525 -9.253 -10.001 1.00 0.00 H new ATOM 0 HA SER A 95 -8.536 -11.886 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.513 -10.786 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.043 -10.434 -7.371 1.00 0.00 H new ATOM 0 HG SER A 95 -7.945 -8.537 -6.378 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.903 -11.250 -7.629 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.344 -11.147 -7.484 1.00 0.00 C ATOM 1505 C GLU A 96 -12.718 -10.958 -6.012 1.00 0.00 C ATOM 1506 O GLU A 96 -11.935 -11.288 -5.124 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.044 -12.372 -8.075 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.290 -11.965 -8.863 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.914 -13.173 -9.565 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.983 -14.236 -8.911 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.307 -13.006 -10.740 1.00 0.00 O ATOM 0 H GLU A 96 -10.446 -11.840 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.683 -10.273 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.356 -12.909 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.323 -13.057 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.019 -11.514 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.027 -11.207 -9.601 1.00 0.00 H new ATOM 1518 N SER A 97 -13.914 -10.427 -5.802 1.00 0.00 N ATOM 1519 CA SER A 97 -14.400 -10.191 -4.454 1.00 0.00 C ATOM 1520 C SER A 97 -13.740 -8.938 -3.871 1.00 0.00 C ATOM 1521 O SER A 97 -12.634 -8.573 -4.269 1.00 0.00 O ATOM 1522 CB SER A 97 -14.135 -11.398 -3.552 1.00 0.00 C ATOM 1523 OG SER A 97 -15.158 -11.569 -2.575 1.00 0.00 O ATOM 0 H SER A 97 -14.560 -10.154 -6.543 1.00 0.00 H new ATOM 0 HA SER A 97 -15.478 -10.038 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.063 -12.298 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.174 -11.274 -3.053 1.00 0.00 H new ATOM 0 HG SER A 97 -14.953 -12.351 -2.020 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.446 -8.316 -2.939 1.00 0.00 N ATOM 1530 CA ILE A 98 -13.942 -7.112 -2.297 1.00 0.00 C ATOM 1531 C ILE A 98 -14.755 -6.837 -1.031 1.00 0.00 C ATOM 1532 O ILE A 98 -14.189 -6.618 0.039 1.00 0.00 O ATOM 1533 CB ILE A 98 -13.928 -5.945 -3.286 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -13.235 -4.722 -2.680 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.342 -5.621 -3.772 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -12.331 -4.040 -3.709 1.00 0.00 C ATOM 0 H ILE A 98 -15.363 -8.622 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 98 -12.906 -7.249 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.349 -6.244 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.984 -4.015 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.644 -5.025 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.304 -4.788 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.765 -6.494 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.966 -5.350 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.850 -3.174 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.569 -4.743 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.929 -3.717 -4.561 1.00 0.00 H new ATOM 1548 N ILE A 99 -16.070 -6.855 -1.194 1.00 0.00 N ATOM 1549 CA ILE A 99 -16.967 -6.609 -0.078 1.00 0.00 C ATOM 1550 C ILE A 99 -16.783 -5.170 0.410 1.00 0.00 C ATOM 1551 O ILE A 99 -15.657 -4.697 0.549 1.00 0.00 O ATOM 1552 CB ILE A 99 -16.761 -7.659 1.015 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -17.132 -9.055 0.512 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -17.528 -7.286 2.286 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -16.024 -10.064 0.825 1.00 0.00 C ATOM 0 H ILE A 99 -16.536 -7.036 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 99 -18.005 -6.709 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 99 -15.702 -7.680 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.064 -9.377 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.307 -9.023 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -17.364 -8.049 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.174 -6.324 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.593 -7.219 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -16.313 -11.048 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -15.100 -9.752 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.869 -10.111 1.903 1.00 0.00 H new ATOM 1567 N THR A 100 -17.908 -4.515 0.654 1.00 0.00 N ATOM 1568 CA THR A 100 -17.888 -3.140 1.123 1.00 0.00 C ATOM 1569 C THR A 100 -19.043 -2.889 2.094 1.00 0.00 C ATOM 1570 O THR A 100 -20.135 -3.428 1.918 1.00 0.00 O ATOM 1571 CB THR A 100 -17.914 -2.222 -0.102 1.00 0.00 C ATOM 1572 OG1 THR A 100 -16.577 -2.261 -0.594 1.00 0.00 O ATOM 1573 CG2 THR A 100 -18.131 -0.755 0.271 1.00 0.00 C ATOM 0 H THR A 100 -18.840 -4.911 0.536 1.00 0.00 H new ATOM 0 HA THR A 100 -16.980 -2.929 1.687 1.00 0.00 H new ATOM 0 HB THR A 100 -18.704 -2.545 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.505 -1.694 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.141 -0.147 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.083 -0.649 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.323 -0.422 0.923 1.00 0.00 H new ATOM 1581 N THR A 101 -18.763 -2.071 3.098 1.00 0.00 N ATOM 1582 CA THR A 101 -19.765 -1.744 4.098 1.00 0.00 C ATOM 1583 C THR A 101 -19.840 -0.229 4.301 1.00 0.00 C ATOM 1584 O THR A 101 -18.868 0.483 4.050 1.00 0.00 O ATOM 1585 CB THR A 101 -19.425 -2.511 5.377 1.00 0.00 C ATOM 1586 OG1 THR A 101 -19.985 -3.804 5.164 1.00 0.00 O ATOM 1587 CG2 THR A 101 -20.177 -1.977 6.598 1.00 0.00 C ATOM 0 H THR A 101 -17.857 -1.625 3.240 1.00 0.00 H new ATOM 0 HA THR A 101 -20.760 -2.048 3.774 1.00 0.00 H new ATOM 0 HB THR A 101 -18.352 -2.456 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.810 -4.369 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 101 -19.899 -2.556 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 101 -19.918 -0.930 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 101 -21.251 -2.064 6.431 1.00 0.00 H new ATOM 1595 N ILE A 102 -21.002 0.219 4.752 1.00 0.00 N ATOM 1596 CA ILE A 102 -21.216 1.635 4.992 1.00 0.00 C ATOM 1597 C ILE A 102 -22.220 1.810 6.134 1.00 0.00 C ATOM 1598 O ILE A 102 -23.122 0.991 6.302 1.00 0.00 O ATOM 1599 CB ILE A 102 -21.628 2.341 3.698 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -23.136 2.226 3.468 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -20.825 1.815 2.507 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -23.508 0.833 2.956 1.00 0.00 C ATOM 0 H ILE A 102 -21.806 -0.374 4.958 1.00 0.00 H new ATOM 0 HA ILE A 102 -20.288 2.112 5.308 1.00 0.00 H new ATOM 0 HB ILE A 102 -21.397 3.402 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -23.666 2.429 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -23.456 2.979 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -21.137 2.333 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.763 1.991 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -21.002 0.746 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -24.586 0.778 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -22.995 0.643 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -23.208 0.084 3.689 1.00 0.00 H new ATOM 1614 N ASP A 103 -22.028 2.883 6.889 1.00 0.00 N ATOM 1615 CA ASP A 103 -22.904 3.173 8.010 1.00 0.00 C ATOM 1616 C ASP A 103 -22.420 4.442 8.715 1.00 0.00 C ATOM 1617 O ASP A 103 -21.358 4.971 8.387 1.00 0.00 O ATOM 1618 CB ASP A 103 -22.893 2.033 9.029 1.00 0.00 C ATOM 1619 CG ASP A 103 -21.544 1.786 9.708 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -20.743 1.028 9.120 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -21.345 2.360 10.801 1.00 0.00 O ATOM 0 H ASP A 103 -21.279 3.561 6.746 1.00 0.00 H new ATOM 0 HA ASP A 103 -23.915 3.300 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -23.636 2.245 9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -23.205 1.116 8.529 1.00 0.00 H new ATOM 1626 N SER A 104 -23.221 4.894 9.669 1.00 0.00 N ATOM 1627 CA SER A 104 -22.887 6.091 10.422 1.00 0.00 C ATOM 1628 C SER A 104 -22.773 7.288 9.477 1.00 0.00 C ATOM 1629 O SER A 104 -22.554 7.120 8.279 1.00 0.00 O ATOM 1630 CB SER A 104 -21.583 5.904 11.201 1.00 0.00 C ATOM 1631 OG SER A 104 -20.998 7.152 11.566 1.00 0.00 O ATOM 0 H SER A 104 -24.100 4.453 9.938 1.00 0.00 H new ATOM 0 HA SER A 104 -23.685 6.278 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.778 5.318 12.099 1.00 0.00 H new ATOM 0 HB3 SER A 104 -20.877 5.335 10.596 1.00 0.00 H new ATOM 0 HG SER A 104 -20.169 6.992 12.063 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.200 5.066 -17.696 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.896 6.745 -18.872 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.996 4.741 -20.902 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.603 3.190 -16.511 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.266 5.556 -14.484 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.838 5.620 -19.497 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.017 6.226 -19.816 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.175 6.303 -21.282 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.040 5.806 -21.865 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.205 5.394 -20.759 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.714 5.698 -23.354 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.413 6.799 -22.002 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.551 5.793 -21.913 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.067 4.359 -21.957 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.009 3.782 -23.059 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.784 3.780 -20.893 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.634 4.190 -18.513 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.262 4.165 -19.869 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.033 3.412 -20.063 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.681 2.919 -18.821 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.654 3.435 -17.885 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.362 3.135 -21.409 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.749 1.916 -18.469 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.434 1.758 -18.843 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.568 4.493 -15.895 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.486 3.674 -15.590 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.376 3.407 -14.140 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.422 4.084 -13.578 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.133 4.774 -14.662 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.298 2.504 -13.491 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.774 4.140 -12.222 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.823 4.287 -11.227 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.782 5.936 -16.842 1.00 0.00 N HETATM 1671 C1D HEM A 105 -10.051 6.095 -15.477 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.217 6.911 -15.264 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.636 7.278 -16.488 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.787 6.629 -17.480 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.883 7.252 -13.939 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.723 8.277 -16.798 1.00 0.00 C HETATM 1677 CBD HEM A 105 -14.053 7.577 -16.941 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.789 8.007 -18.188 1.00 0.00 C HETATM 1679 O1D HEM A 105 -16.032 7.893 -18.197 1.00 0.00 O HETATM 1680 O2D HEM A 105 -14.131 8.471 -19.150 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.637 5.570 -23.920 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.063 4.840 -23.523 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.209 6.606 -23.683 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.120 3.087 -22.191 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.830 2.185 -21.362 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.657 3.935 -21.636 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.007 1.722 -14.193 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.702 2.048 -12.587 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.425 3.105 -13.236 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.731 6.434 -13.234 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.951 7.401 -14.096 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.445 8.165 -13.536 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.859 0.911 -18.468 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.968 2.479 -19.514 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.130 4.327 -10.182 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.768 4.363 -11.489 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.246 5.963 -22.735 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.104 5.957 -20.988 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.175 6.989 -23.049 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.731 7.748 -21.570 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.669 7.787 -16.066 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.894 6.499 -16.968 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.484 8.810 -17.718 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.780 9.021 -16.004 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.747 7.292 -19.249 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.586 4.672 -21.899 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.799 2.567 -16.148 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.560 5.762 -13.465 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.132 1.148 -17.797 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.825 4.066 -11.944 1.00 0.00 H new