USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, 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 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -51:sc= 0.132 USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -5.27! (180deg=-3.87!) USER MOD Set 2.1: A 53 GLN : amide:sc= -10.3! C(o=-22!,f=-27!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -11.3! (180deg=-6.42!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -5.33! C(o=-4.5!,f=-16!) USER MOD Set 3.2: A 34 TYR OH : rot 17:sc= 0.845 USER MOD Set 4.1: A 25 THR OG1 : rot -66:sc= 1.05 USER MOD Set 4.2: A 37 THR OG1 : rot -1:sc= 0.727 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -18.5! C(o=-17!,f=-28!) USER MOD Set 5.2: A 24 SER OG : rot -122:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0323 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 -178:sc= -0.778 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 17 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -6.43! C(o=-11!,f=-6.4!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 22 SER OG : rot 180:sc= -0.342 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -117:sc= 0.633 USER MOD Single : A 32 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 43 HIS : no HE2:sc= -15.6! C(o=-16!,f=-23!) USER MOD Single : A 59 THR OG1 : rot 13:sc= 1.12 USER MOD Single : A 61 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.34) USER MOD Single : A 68 SER OG : rot -117:sc= 0.857 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -11.7! C(o=-14!,f=-12!) 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= -0.0437 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= -0.0862 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= -5.75! (180deg=-5.75!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.221) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.914 -2.067 -32.830 1.00 0.00 N ATOM 2 CA ALA A 1 31.224 -2.090 -34.249 1.00 0.00 C ATOM 3 C ALA A 1 30.023 -1.564 -35.038 1.00 0.00 C ATOM 4 O ALA A 1 30.172 -0.694 -35.894 1.00 0.00 O ATOM 5 CB ALA A 1 31.617 -3.510 -34.662 1.00 0.00 C ATOM 0 H1 ALA A 1 31.770 -2.294 -32.284 1.00 0.00 H new ATOM 0 H2 ALA A 1 30.574 -1.121 -32.564 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.176 -2.770 -32.624 1.00 0.00 H new ATOM 0 HA ALA A 1 32.071 -1.440 -34.468 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.850 -3.528 -35.727 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.492 -3.825 -34.094 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.789 -4.190 -34.460 1.00 0.00 H new ATOM 11 N GLU A 2 28.860 -2.114 -34.721 1.00 0.00 N ATOM 12 CA GLU A 2 27.634 -1.711 -35.389 1.00 0.00 C ATOM 13 C GLU A 2 26.445 -2.500 -34.837 1.00 0.00 C ATOM 14 O GLU A 2 26.282 -3.680 -35.143 1.00 0.00 O ATOM 15 CB GLU A 2 27.753 -1.888 -36.904 1.00 0.00 C ATOM 16 CG GLU A 2 26.863 -0.888 -37.644 1.00 0.00 C ATOM 17 CD GLU A 2 26.095 -1.569 -38.778 1.00 0.00 C ATOM 18 OE1 GLU A 2 25.697 -2.736 -38.573 1.00 0.00 O ATOM 19 OE2 GLU A 2 25.924 -0.909 -39.825 1.00 0.00 O ATOM 0 H GLU A 2 28.741 -2.836 -34.010 1.00 0.00 H new ATOM 0 HA GLU A 2 27.466 -0.652 -35.191 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.791 -1.752 -37.209 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.470 -2.904 -37.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.160 -0.435 -36.945 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.475 -0.081 -38.048 1.00 0.00 H new ATOM 26 N GLU A 3 25.645 -1.816 -34.032 1.00 0.00 N ATOM 27 CA GLU A 3 24.475 -2.437 -33.434 1.00 0.00 C ATOM 28 C GLU A 3 23.763 -1.448 -32.512 1.00 0.00 C ATOM 29 O GLU A 3 24.297 -0.383 -32.205 1.00 0.00 O ATOM 30 CB GLU A 3 24.858 -3.713 -32.681 1.00 0.00 C ATOM 31 CG GLU A 3 23.836 -4.825 -32.932 1.00 0.00 C ATOM 32 CD GLU A 3 23.596 -5.645 -31.662 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.591 -5.878 -30.941 1.00 0.00 O ATOM 34 OE2 GLU A 3 22.426 -6.021 -31.443 1.00 0.00 O ATOM 0 H GLU A 3 25.784 -0.837 -33.780 1.00 0.00 H new ATOM 0 HA GLU A 3 23.787 -2.718 -34.232 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.847 -4.044 -32.999 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.919 -3.505 -31.613 1.00 0.00 H new ATOM 0 HG2 GLU A 3 22.896 -4.390 -33.272 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.192 -5.478 -33.729 1.00 0.00 H new ATOM 41 N SER A 4 22.566 -1.835 -32.093 1.00 0.00 N ATOM 42 CA SER A 4 21.774 -0.994 -31.212 1.00 0.00 C ATOM 43 C SER A 4 20.417 -1.650 -30.942 1.00 0.00 C ATOM 44 O SER A 4 19.970 -2.497 -31.714 1.00 0.00 O ATOM 45 CB SER A 4 21.579 0.402 -31.808 1.00 0.00 C ATOM 46 OG SER A 4 21.616 1.418 -30.811 1.00 0.00 O ATOM 0 H SER A 4 22.126 -2.719 -32.348 1.00 0.00 H new ATOM 0 HA SER A 4 22.312 -0.885 -30.270 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.356 0.592 -32.548 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.624 0.442 -32.331 1.00 0.00 H new ATOM 0 HG SER A 4 21.490 2.294 -31.232 1.00 0.00 H new ATOM 52 N SER A 5 19.801 -1.233 -29.846 1.00 0.00 N ATOM 53 CA SER A 5 18.506 -1.770 -29.464 1.00 0.00 C ATOM 54 C SER A 5 17.975 -1.031 -28.234 1.00 0.00 C ATOM 55 O SER A 5 18.682 -0.219 -27.641 1.00 0.00 O ATOM 56 CB SER A 5 18.593 -3.272 -29.187 1.00 0.00 C ATOM 57 OG SER A 5 17.304 -3.870 -29.080 1.00 0.00 O ATOM 0 H SER A 5 20.175 -0.529 -29.210 1.00 0.00 H new ATOM 0 HA SER A 5 17.815 -1.621 -30.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.152 -3.757 -29.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.148 -3.439 -28.264 1.00 0.00 H new ATOM 0 HG SER A 5 17.402 -4.829 -28.905 1.00 0.00 H new ATOM 63 N LYS A 6 16.734 -1.340 -27.889 1.00 0.00 N ATOM 64 CA LYS A 6 16.099 -0.716 -26.741 1.00 0.00 C ATOM 65 C LYS A 6 14.632 -1.143 -26.679 1.00 0.00 C ATOM 66 O LYS A 6 13.890 -0.968 -27.643 1.00 0.00 O ATOM 67 CB LYS A 6 16.298 0.801 -26.778 1.00 0.00 C ATOM 68 CG LYS A 6 17.460 1.225 -25.878 1.00 0.00 C ATOM 69 CD LYS A 6 17.012 2.282 -24.867 1.00 0.00 C ATOM 70 CE LYS A 6 17.372 1.864 -23.441 1.00 0.00 C ATOM 71 NZ LYS A 6 18.768 2.240 -23.125 1.00 0.00 N ATOM 0 H LYS A 6 16.151 -2.015 -28.384 1.00 0.00 H new ATOM 0 HA LYS A 6 16.568 -1.053 -25.817 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.491 1.121 -27.802 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.384 1.299 -26.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.853 0.355 -25.351 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.272 1.621 -26.488 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.484 3.236 -25.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.935 2.432 -24.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.692 2.340 -22.734 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.245 0.787 -23.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.995 1.948 -22.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.414 1.766 -23.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.878 3.271 -23.212 1.00 0.00 H new ATOM 85 N ALA A 7 14.257 -1.697 -25.535 1.00 0.00 N ATOM 86 CA ALA A 7 12.892 -2.151 -25.335 1.00 0.00 C ATOM 87 C ALA A 7 12.844 -3.095 -24.131 1.00 0.00 C ATOM 88 O ALA A 7 13.211 -4.263 -24.239 1.00 0.00 O ATOM 89 CB ALA A 7 12.381 -2.814 -26.615 1.00 0.00 C ATOM 0 H ALA A 7 14.876 -1.842 -24.737 1.00 0.00 H new ATOM 0 HA ALA A 7 12.235 -1.308 -25.120 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.357 -3.155 -26.464 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.408 -2.094 -27.433 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.014 -3.666 -26.861 1.00 0.00 H new ATOM 95 N VAL A 8 12.388 -2.552 -23.012 1.00 0.00 N ATOM 96 CA VAL A 8 12.287 -3.330 -21.789 1.00 0.00 C ATOM 97 C VAL A 8 11.843 -4.753 -22.131 1.00 0.00 C ATOM 98 O VAL A 8 12.586 -5.709 -21.912 1.00 0.00 O ATOM 99 CB VAL A 8 11.350 -2.632 -20.801 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.382 -1.697 -21.528 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.591 -3.654 -19.951 1.00 0.00 C ATOM 0 H VAL A 8 12.084 -1.582 -22.927 1.00 0.00 H new ATOM 0 HA VAL A 8 13.258 -3.401 -21.300 1.00 0.00 H new ATOM 0 HB VAL A 8 11.961 -2.026 -20.132 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.728 -1.214 -20.802 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.947 -0.938 -22.069 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.781 -2.272 -22.232 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.932 -3.132 -19.257 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.998 -4.298 -20.600 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.302 -4.260 -19.390 1.00 0.00 H new ATOM 111 N LYS A 9 10.633 -4.850 -22.664 1.00 0.00 N ATOM 112 CA LYS A 9 10.081 -6.140 -23.039 1.00 0.00 C ATOM 113 C LYS A 9 9.609 -6.872 -21.780 1.00 0.00 C ATOM 114 O LYS A 9 8.439 -7.235 -21.672 1.00 0.00 O ATOM 115 CB LYS A 9 11.092 -6.934 -23.870 1.00 0.00 C ATOM 116 CG LYS A 9 10.573 -7.160 -25.291 1.00 0.00 C ATOM 117 CD LYS A 9 11.156 -8.441 -25.891 1.00 0.00 C ATOM 118 CE LYS A 9 11.079 -8.416 -27.419 1.00 0.00 C ATOM 119 NZ LYS A 9 9.716 -8.775 -27.875 1.00 0.00 N ATOM 0 H LYS A 9 10.020 -4.055 -22.845 1.00 0.00 H new ATOM 0 HA LYS A 9 9.209 -6.011 -23.680 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.040 -6.398 -23.906 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.287 -7.894 -23.393 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.485 -7.222 -25.279 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.836 -6.308 -25.918 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.194 -8.554 -25.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.612 -9.305 -25.510 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.342 -7.424 -27.786 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.805 -9.114 -27.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.681 -8.753 -28.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.478 -9.731 -27.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.031 -8.093 -27.491 1.00 0.00 H new ATOM 133 N TYR A 10 10.544 -7.070 -20.863 1.00 0.00 N ATOM 134 CA TYR A 10 10.240 -7.753 -19.618 1.00 0.00 C ATOM 135 C TYR A 10 10.921 -7.064 -18.434 1.00 0.00 C ATOM 136 O TYR A 10 12.146 -7.082 -18.320 1.00 0.00 O ATOM 137 CB TYR A 10 10.805 -9.167 -19.763 1.00 0.00 C ATOM 138 CG TYR A 10 11.539 -9.411 -21.082 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.839 -8.975 -21.241 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.902 -10.068 -22.115 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.530 -9.204 -22.483 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.593 -10.299 -23.358 1.00 0.00 C ATOM 143 CZ TYR A 10 12.872 -9.855 -23.480 1.00 0.00 C ATOM 144 OH TYR A 10 13.526 -10.073 -24.652 1.00 0.00 O ATOM 0 H TYR A 10 11.514 -6.769 -20.958 1.00 0.00 H new ATOM 0 HA TYR A 10 9.166 -7.749 -19.431 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.489 -9.360 -18.937 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.989 -9.884 -19.675 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.338 -8.461 -20.433 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.885 -10.409 -21.992 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.547 -8.867 -22.620 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.106 -10.813 -24.174 1.00 0.00 H new ATOM 0 HH TYR A 10 12.925 -10.520 -25.284 1.00 0.00 H new ATOM 154 N TYR A 11 10.096 -6.472 -17.581 1.00 0.00 N ATOM 155 CA TYR A 11 10.604 -5.777 -16.410 1.00 0.00 C ATOM 156 C TYR A 11 9.946 -6.303 -15.132 1.00 0.00 C ATOM 157 O TYR A 11 9.008 -7.097 -15.195 1.00 0.00 O ATOM 158 CB TYR A 11 10.227 -4.306 -16.594 1.00 0.00 C ATOM 159 CG TYR A 11 11.395 -3.412 -17.017 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.428 -3.936 -17.768 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.416 -2.083 -16.648 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.527 -3.095 -18.165 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.516 -1.243 -17.044 1.00 0.00 C ATOM 164 CZ TYR A 11 13.516 -1.789 -17.784 1.00 0.00 C ATOM 165 OH TYR A 11 14.554 -0.996 -18.159 1.00 0.00 O ATOM 0 H TYR A 11 9.081 -6.460 -17.678 1.00 0.00 H new ATOM 0 HA TYR A 11 11.680 -5.924 -16.315 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.438 -4.235 -17.343 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.814 -3.928 -15.659 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.412 -4.976 -18.058 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.607 -1.673 -16.062 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.342 -3.492 -18.752 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.546 -0.202 -16.759 1.00 0.00 H new ATOM 0 HH TYR A 11 14.412 -0.088 -17.818 1.00 0.00 H new ATOM 175 N THR A 12 10.464 -5.841 -14.004 1.00 0.00 N ATOM 176 CA THR A 12 9.938 -6.254 -12.714 1.00 0.00 C ATOM 177 C THR A 12 9.093 -5.137 -12.100 1.00 0.00 C ATOM 178 O THR A 12 9.333 -3.960 -12.356 1.00 0.00 O ATOM 179 CB THR A 12 11.117 -6.679 -11.837 1.00 0.00 C ATOM 180 OG1 THR A 12 11.779 -5.453 -11.529 1.00 0.00 O ATOM 181 CG2 THR A 12 12.164 -7.482 -12.611 1.00 0.00 C ATOM 0 H THR A 12 11.243 -5.184 -13.956 1.00 0.00 H new ATOM 0 HA THR A 12 9.267 -7.107 -12.815 1.00 0.00 H new ATOM 0 HB THR A 12 10.751 -7.273 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.557 -5.635 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.979 -7.758 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.705 -8.384 -13.015 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.556 -6.877 -13.428 1.00 0.00 H new ATOM 189 N LEU A 13 8.120 -5.548 -11.300 1.00 0.00 N ATOM 190 CA LEU A 13 7.237 -4.595 -10.646 1.00 0.00 C ATOM 191 C LEU A 13 8.069 -3.447 -10.072 1.00 0.00 C ATOM 192 O LEU A 13 7.646 -2.292 -10.104 1.00 0.00 O ATOM 193 CB LEU A 13 6.363 -5.301 -9.608 1.00 0.00 C ATOM 194 CG LEU A 13 4.957 -5.692 -10.068 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.086 -6.105 -8.880 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.317 -4.569 -10.887 1.00 0.00 C ATOM 0 H LEU A 13 7.923 -6.526 -11.090 1.00 0.00 H new ATOM 0 HA LEU A 13 6.546 -4.158 -11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.880 -6.203 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.271 -4.652 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 13 5.040 -6.560 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.092 -6.378 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.539 -6.959 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.006 -5.273 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.318 -4.872 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.248 -3.668 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.929 -4.366 -11.766 1.00 0.00 H new ATOM 208 N GLU A 14 9.237 -3.803 -9.558 1.00 0.00 N ATOM 209 CA GLU A 14 10.133 -2.817 -8.978 1.00 0.00 C ATOM 210 C GLU A 14 10.574 -1.810 -10.040 1.00 0.00 C ATOM 211 O GLU A 14 10.440 -0.602 -9.851 1.00 0.00 O ATOM 212 CB GLU A 14 11.341 -3.491 -8.323 1.00 0.00 C ATOM 213 CG GLU A 14 11.373 -3.220 -6.818 1.00 0.00 C ATOM 214 CD GLU A 14 12.778 -3.431 -6.253 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.286 -4.563 -6.400 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.314 -2.454 -5.686 1.00 0.00 O ATOM 0 H GLU A 14 9.584 -4.762 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 14 9.593 -2.279 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.303 -4.566 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.259 -3.124 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.048 -2.198 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.670 -3.881 -6.311 1.00 0.00 H new ATOM 223 N GLU A 15 11.093 -2.344 -11.137 1.00 0.00 N ATOM 224 CA GLU A 15 11.556 -1.507 -12.230 1.00 0.00 C ATOM 225 C GLU A 15 10.470 -0.506 -12.628 1.00 0.00 C ATOM 226 O GLU A 15 10.769 0.639 -12.965 1.00 0.00 O ATOM 227 CB GLU A 15 11.983 -2.357 -13.429 1.00 0.00 C ATOM 228 CG GLU A 15 13.435 -2.815 -13.285 1.00 0.00 C ATOM 229 CD GLU A 15 13.960 -3.393 -14.601 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.313 -4.338 -15.104 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.996 -2.880 -15.074 1.00 0.00 O ATOM 0 H GLU A 15 11.203 -3.346 -11.291 1.00 0.00 H new ATOM 0 HA GLU A 15 12.430 -0.951 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.330 -3.226 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.869 -1.781 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.057 -1.974 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.507 -3.567 -12.499 1.00 0.00 H new ATOM 238 N ILE A 16 9.231 -0.972 -12.576 1.00 0.00 N ATOM 239 CA ILE A 16 8.099 -0.133 -12.926 1.00 0.00 C ATOM 240 C ILE A 16 7.760 0.779 -11.744 1.00 0.00 C ATOM 241 O ILE A 16 7.321 1.911 -11.934 1.00 0.00 O ATOM 242 CB ILE A 16 6.923 -0.988 -13.401 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.397 -2.101 -14.336 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.838 -0.121 -14.043 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.812 -3.453 -13.920 1.00 0.00 C ATOM 0 H ILE A 16 8.987 -1.922 -12.296 1.00 0.00 H new ATOM 0 HA ILE A 16 8.351 0.514 -13.766 1.00 0.00 H new ATOM 0 HB ILE A 16 6.476 -1.468 -12.530 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.100 -1.872 -15.360 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.486 -2.152 -14.323 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.014 -0.754 -14.372 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.472 0.602 -13.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.254 0.407 -14.901 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.165 -4.227 -14.601 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.130 -3.690 -12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.724 -3.405 -13.957 1.00 0.00 H new ATOM 257 N GLN A 17 7.975 0.249 -10.549 1.00 0.00 N ATOM 258 CA GLN A 17 7.698 1.000 -9.336 1.00 0.00 C ATOM 259 C GLN A 17 8.629 2.209 -9.236 1.00 0.00 C ATOM 260 O GLN A 17 8.236 3.259 -8.731 1.00 0.00 O ATOM 261 CB GLN A 17 7.823 0.107 -8.099 1.00 0.00 C ATOM 262 CG GLN A 17 6.765 0.467 -7.054 1.00 0.00 C ATOM 263 CD GLN A 17 7.404 0.710 -5.687 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.565 0.411 -5.453 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.587 1.269 -4.798 1.00 0.00 N ATOM 0 H GLN A 17 8.338 -0.692 -10.395 1.00 0.00 H new ATOM 0 HA GLN A 17 6.670 1.361 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.713 -0.938 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.818 0.215 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.225 1.359 -7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.034 -0.338 -6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.627 1.494 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.921 1.472 -3.856 1.00 0.00 H new ATOM 274 N LYS A 18 9.847 2.020 -9.725 1.00 0.00 N ATOM 275 CA LYS A 18 10.836 3.084 -9.697 1.00 0.00 C ATOM 276 C LYS A 18 10.447 4.165 -10.707 1.00 0.00 C ATOM 277 O LYS A 18 10.729 5.343 -10.499 1.00 0.00 O ATOM 278 CB LYS A 18 12.240 2.515 -9.916 1.00 0.00 C ATOM 279 CG LYS A 18 12.540 1.393 -8.919 1.00 0.00 C ATOM 280 CD LYS A 18 13.065 1.959 -7.600 1.00 0.00 C ATOM 281 CE LYS A 18 14.395 2.687 -7.808 1.00 0.00 C ATOM 282 NZ LYS A 18 15.119 2.821 -6.524 1.00 0.00 N ATOM 0 H LYS A 18 10.170 1.147 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 18 10.857 3.558 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.327 2.135 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.979 3.309 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.636 0.813 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.276 0.710 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.332 2.646 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.197 1.151 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.009 2.139 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.214 3.673 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.019 3.317 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.538 3.364 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.309 1.876 -6.132 1.00 0.00 H new ATOM 296 N HIS A 19 9.803 3.725 -11.778 1.00 0.00 N ATOM 297 CA HIS A 19 9.371 4.641 -12.820 1.00 0.00 C ATOM 298 C HIS A 19 7.923 5.063 -12.566 1.00 0.00 C ATOM 299 O HIS A 19 6.995 4.482 -13.125 1.00 0.00 O ATOM 300 CB HIS A 19 9.572 4.022 -14.205 1.00 0.00 C ATOM 301 CG HIS A 19 11.020 3.871 -14.606 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.562 4.501 -15.712 1.00 0.00 N ATOM 303 CD2 HIS A 19 12.033 3.157 -14.035 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.842 4.174 -15.796 1.00 0.00 C ATOM 305 NE2 HIS A 19 13.133 3.340 -14.756 1.00 0.00 N ATOM 0 H HIS A 19 9.570 2.746 -11.947 1.00 0.00 H new ATOM 0 HA HIS A 19 9.985 5.541 -12.794 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.096 3.042 -14.226 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.063 4.640 -14.945 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.954 2.547 -13.147 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.534 4.509 -16.554 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.045 2.926 -14.564 1.00 0.00 H new ATOM 314 N ASN A 20 7.775 6.071 -11.719 1.00 0.00 N ATOM 315 CA ASN A 20 6.456 6.578 -11.382 1.00 0.00 C ATOM 316 C ASN A 20 6.454 8.104 -11.504 1.00 0.00 C ATOM 317 O ASN A 20 5.689 8.784 -10.822 1.00 0.00 O ATOM 318 CB ASN A 20 6.077 6.220 -9.942 1.00 0.00 C ATOM 319 CG ASN A 20 4.800 6.943 -9.515 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.957 7.188 -10.514 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.591 7.256 -8.354 1.00 0.00 N flip ATOM 0 H ASN A 20 8.547 6.550 -11.256 1.00 0.00 H new ATOM 0 HA ASN A 20 5.738 6.127 -12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.935 5.143 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.893 6.488 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.281 7.038 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.727 7.736 -8.103 1.00 0.00 H new ATOM 328 N ASN A 21 7.319 8.597 -12.378 1.00 0.00 N ATOM 329 CA ASN A 21 7.427 10.029 -12.598 1.00 0.00 C ATOM 330 C ASN A 21 6.748 10.389 -13.922 1.00 0.00 C ATOM 331 O ASN A 21 6.485 9.516 -14.746 1.00 0.00 O ATOM 332 CB ASN A 21 8.891 10.464 -12.684 1.00 0.00 C ATOM 333 CG ASN A 21 9.711 9.854 -11.546 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.225 9.622 -10.452 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.979 9.610 -11.864 1.00 0.00 N ATOM 0 H ASN A 21 7.952 8.030 -12.942 1.00 0.00 H new ATOM 0 HA ASN A 21 6.949 10.536 -11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.309 10.158 -13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.954 11.551 -12.641 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.609 9.204 -11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.321 9.829 -12.800 1.00 0.00 H new ATOM 342 N SER A 22 6.485 11.677 -14.084 1.00 0.00 N ATOM 343 CA SER A 22 5.843 12.164 -15.293 1.00 0.00 C ATOM 344 C SER A 22 6.852 12.202 -16.441 1.00 0.00 C ATOM 345 O SER A 22 6.587 12.797 -17.485 1.00 0.00 O ATOM 346 CB SER A 22 5.235 13.552 -15.073 1.00 0.00 C ATOM 347 OG SER A 22 3.844 13.483 -14.773 1.00 0.00 O ATOM 0 H SER A 22 6.705 12.399 -13.398 1.00 0.00 H new ATOM 0 HA SER A 22 5.034 11.480 -15.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.758 14.052 -14.257 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.384 14.159 -15.966 1.00 0.00 H new ATOM 0 HG SER A 22 3.493 14.388 -14.638 1.00 0.00 H new ATOM 353 N LYS A 23 7.987 11.559 -16.212 1.00 0.00 N ATOM 354 CA LYS A 23 9.037 11.512 -17.215 1.00 0.00 C ATOM 355 C LYS A 23 9.336 10.054 -17.567 1.00 0.00 C ATOM 356 O LYS A 23 10.078 9.778 -18.508 1.00 0.00 O ATOM 357 CB LYS A 23 10.264 12.296 -16.744 1.00 0.00 C ATOM 358 CG LYS A 23 10.649 13.374 -17.757 1.00 0.00 C ATOM 359 CD LYS A 23 11.746 14.286 -17.202 1.00 0.00 C ATOM 360 CE LYS A 23 11.923 15.528 -18.075 1.00 0.00 C ATOM 361 NZ LYS A 23 12.981 16.402 -17.523 1.00 0.00 N ATOM 0 H LYS A 23 8.203 11.066 -15.346 1.00 0.00 H new ATOM 0 HA LYS A 23 8.709 12.000 -18.133 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.056 12.757 -15.778 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.101 11.614 -16.598 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.994 12.905 -18.678 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.771 13.969 -18.011 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.494 14.586 -16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.687 13.738 -17.149 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.182 15.232 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.983 16.077 -18.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.089 17.241 -18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.719 16.699 -16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.880 15.881 -17.491 1.00 0.00 H new ATOM 375 N SER A 24 8.743 9.158 -16.791 1.00 0.00 N ATOM 376 CA SER A 24 8.937 7.735 -17.008 1.00 0.00 C ATOM 377 C SER A 24 7.719 6.958 -16.504 1.00 0.00 C ATOM 378 O SER A 24 7.803 5.756 -16.255 1.00 0.00 O ATOM 379 CB SER A 24 10.205 7.239 -16.314 1.00 0.00 C ATOM 380 OG SER A 24 11.108 6.621 -17.229 1.00 0.00 O ATOM 0 H SER A 24 8.128 9.391 -16.011 1.00 0.00 H new ATOM 0 HA SER A 24 9.052 7.566 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.702 8.077 -15.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.936 6.527 -15.533 1.00 0.00 H new ATOM 0 HG SER A 24 11.286 5.701 -16.942 1.00 0.00 H new ATOM 386 N THR A 25 6.612 7.675 -16.370 1.00 0.00 N ATOM 387 CA THR A 25 5.379 7.069 -15.900 1.00 0.00 C ATOM 388 C THR A 25 5.194 5.685 -16.525 1.00 0.00 C ATOM 389 O THR A 25 4.766 5.570 -17.672 1.00 0.00 O ATOM 390 CB THR A 25 4.231 8.032 -16.206 1.00 0.00 C ATOM 391 OG1 THR A 25 4.878 9.280 -16.443 1.00 0.00 O ATOM 392 CG2 THR A 25 3.347 8.297 -14.986 1.00 0.00 C ATOM 0 H THR A 25 6.544 8.671 -16.579 1.00 0.00 H new ATOM 0 HA THR A 25 5.405 6.905 -14.823 1.00 0.00 H new ATOM 0 HB THR A 25 3.622 7.625 -17.013 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.303 9.590 -15.616 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.548 8.987 -15.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.914 7.359 -14.640 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.948 8.735 -14.189 1.00 0.00 H new ATOM 400 N TRP A 26 5.524 4.668 -15.743 1.00 0.00 N ATOM 401 CA TRP A 26 5.399 3.295 -16.205 1.00 0.00 C ATOM 402 C TRP A 26 4.409 2.577 -15.288 1.00 0.00 C ATOM 403 O TRP A 26 4.330 2.876 -14.097 1.00 0.00 O ATOM 404 CB TRP A 26 6.766 2.612 -16.265 1.00 0.00 C ATOM 405 CG TRP A 26 7.733 3.239 -17.269 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.454 4.104 -18.254 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.157 3.013 -17.350 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.588 4.451 -18.960 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.656 3.767 -18.393 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.994 2.198 -16.568 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.012 3.780 -18.749 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.345 2.224 -16.936 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.864 2.977 -17.983 1.00 0.00 C ATOM 0 H TRP A 26 5.878 4.767 -14.792 1.00 0.00 H new ATOM 0 HA TRP A 26 5.014 3.263 -17.224 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.219 2.641 -15.274 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.625 1.562 -16.520 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.465 4.482 -18.468 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.634 5.092 -19.752 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.625 1.599 -15.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.379 4.378 -19.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 12.032 1.616 -16.366 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.921 2.942 -18.204 1.00 0.00 H new ATOM 424 N LEU A 27 3.679 1.641 -15.876 1.00 0.00 N ATOM 425 CA LEU A 27 2.697 0.875 -15.126 1.00 0.00 C ATOM 426 C LEU A 27 2.427 -0.446 -15.848 1.00 0.00 C ATOM 427 O LEU A 27 2.959 -0.685 -16.932 1.00 0.00 O ATOM 428 CB LEU A 27 1.440 1.711 -14.882 1.00 0.00 C ATOM 429 CG LEU A 27 0.404 1.709 -16.007 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.084 1.693 -17.378 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.583 0.552 -15.843 1.00 0.00 C ATOM 0 H LEU A 27 3.748 1.395 -16.864 1.00 0.00 H new ATOM 0 HA LEU A 27 3.082 0.625 -14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.960 1.351 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.743 2.741 -14.696 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.171 2.633 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.325 1.692 -18.161 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.712 2.578 -17.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.700 0.798 -17.468 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.308 0.575 -16.656 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.042 -0.394 -15.866 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.103 0.650 -14.890 1.00 0.00 H new ATOM 443 N ILE A 28 1.600 -1.269 -15.220 1.00 0.00 N ATOM 444 CA ILE A 28 1.252 -2.560 -15.790 1.00 0.00 C ATOM 445 C ILE A 28 -0.238 -2.574 -16.137 1.00 0.00 C ATOM 446 O ILE A 28 -1.070 -2.161 -15.331 1.00 0.00 O ATOM 447 CB ILE A 28 1.676 -3.691 -14.851 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.693 -3.196 -13.821 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.199 -4.892 -15.643 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.102 -3.154 -14.418 1.00 0.00 C ATOM 0 H ILE A 28 1.161 -1.067 -14.322 1.00 0.00 H new ATOM 0 HA ILE A 28 1.797 -2.727 -16.719 1.00 0.00 H new ATOM 0 HB ILE A 28 0.798 -4.026 -14.300 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.411 -2.202 -13.475 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.682 -3.851 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.494 -5.682 -14.953 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.415 -5.261 -16.304 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.061 -4.589 -16.237 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.806 -2.799 -13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.390 -4.154 -14.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.115 -2.479 -15.274 1.00 0.00 H new ATOM 462 N LEU A 29 -0.528 -3.052 -17.338 1.00 0.00 N ATOM 463 CA LEU A 29 -1.904 -3.127 -17.802 1.00 0.00 C ATOM 464 C LEU A 29 -2.176 -4.527 -18.354 1.00 0.00 C ATOM 465 O LEU A 29 -1.522 -4.964 -19.301 1.00 0.00 O ATOM 466 CB LEU A 29 -2.193 -2.005 -18.800 1.00 0.00 C ATOM 467 CG LEU A 29 -3.520 -1.265 -18.612 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.020 -0.690 -19.939 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.561 -2.169 -17.948 1.00 0.00 C ATOM 0 H LEU A 29 0.166 -3.391 -18.004 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.595 -2.972 -16.974 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.383 -1.278 -18.743 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.174 -2.426 -19.805 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.351 -0.423 -17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.964 -0.170 -19.777 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.283 0.009 -20.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.170 -1.500 -20.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.495 -1.620 -17.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.734 -3.045 -18.573 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.197 -2.487 -16.971 1.00 0.00 H new ATOM 481 N HIS A 30 -3.142 -5.193 -17.740 1.00 0.00 N ATOM 482 CA HIS A 30 -3.510 -6.535 -18.159 1.00 0.00 C ATOM 483 C HIS A 30 -2.431 -7.525 -17.714 1.00 0.00 C ATOM 484 O HIS A 30 -2.741 -8.624 -17.261 1.00 0.00 O ATOM 485 CB HIS A 30 -3.774 -6.582 -19.665 1.00 0.00 C ATOM 486 CG HIS A 30 -4.677 -5.479 -20.163 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.202 -4.375 -20.850 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.028 -5.323 -20.070 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.231 -3.596 -21.150 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.362 -4.185 -20.666 1.00 0.00 N ATOM 0 H HIS A 30 -3.682 -4.828 -16.955 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.443 -6.827 -17.677 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.822 -6.525 -20.193 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.220 -7.544 -19.916 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.226 -4.192 -21.085 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.711 -6.009 -19.592 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.183 -2.659 -21.684 1.00 0.00 H new ATOM 499 N TYR A 31 -1.185 -7.097 -17.861 1.00 0.00 N ATOM 500 CA TYR A 31 -0.058 -7.932 -17.481 1.00 0.00 C ATOM 501 C TYR A 31 1.240 -7.420 -18.109 1.00 0.00 C ATOM 502 O TYR A 31 2.328 -7.852 -17.734 1.00 0.00 O ATOM 503 CB TYR A 31 -0.361 -9.326 -18.033 1.00 0.00 C ATOM 504 CG TYR A 31 0.833 -10.002 -18.708 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.940 -10.355 -17.962 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.806 -10.257 -20.064 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.064 -10.990 -18.599 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.931 -10.893 -20.700 1.00 0.00 C ATOM 509 CZ TYR A 31 3.005 -11.228 -19.936 1.00 0.00 C ATOM 510 OH TYR A 31 4.067 -11.827 -20.537 1.00 0.00 O ATOM 0 H TYR A 31 -0.932 -6.184 -18.238 1.00 0.00 H new ATOM 0 HA TYR A 31 0.073 -7.930 -16.399 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.711 -9.960 -17.218 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.177 -9.251 -18.752 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.963 -10.155 -16.901 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.059 -9.980 -20.648 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.936 -11.271 -18.027 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.922 -11.099 -21.760 1.00 0.00 H new ATOM 0 HH TYR A 31 4.459 -11.215 -21.195 1.00 0.00 H new ATOM 520 N LYS A 32 1.081 -6.503 -19.054 1.00 0.00 N ATOM 521 CA LYS A 32 2.226 -5.927 -19.736 1.00 0.00 C ATOM 522 C LYS A 32 2.555 -4.568 -19.115 1.00 0.00 C ATOM 523 O LYS A 32 1.791 -4.053 -18.302 1.00 0.00 O ATOM 524 CB LYS A 32 1.978 -5.870 -21.246 1.00 0.00 C ATOM 525 CG LYS A 32 1.655 -7.259 -21.800 1.00 0.00 C ATOM 526 CD LYS A 32 0.340 -7.245 -22.583 1.00 0.00 C ATOM 527 CE LYS A 32 0.543 -7.772 -24.005 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.560 -7.325 -24.885 1.00 0.00 N ATOM 0 H LYS A 32 0.177 -6.146 -19.362 1.00 0.00 H new ATOM 0 HA LYS A 32 3.105 -6.559 -19.604 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.153 -5.189 -21.458 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.859 -5.470 -21.748 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.465 -7.593 -22.448 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.587 -7.974 -20.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.401 -7.856 -22.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.054 -6.230 -22.620 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.496 -7.418 -24.398 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.588 -8.861 -23.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.407 -7.691 -25.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.464 -7.684 -24.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.585 -6.286 -24.910 1.00 0.00 H new ATOM 542 N VAL A 33 3.693 -4.027 -19.524 1.00 0.00 N ATOM 543 CA VAL A 33 4.131 -2.736 -19.017 1.00 0.00 C ATOM 544 C VAL A 33 3.926 -1.673 -20.099 1.00 0.00 C ATOM 545 O VAL A 33 4.345 -1.855 -21.241 1.00 0.00 O ATOM 546 CB VAL A 33 5.581 -2.827 -18.537 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.992 -1.558 -17.790 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.793 -4.070 -17.669 1.00 0.00 C ATOM 0 H VAL A 33 4.325 -4.457 -20.199 1.00 0.00 H new ATOM 0 HA VAL A 33 3.534 -2.442 -18.154 1.00 0.00 H new ATOM 0 HB VAL A 33 6.220 -2.919 -19.415 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.027 -1.649 -17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.897 -0.698 -18.453 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.345 -1.420 -16.923 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.832 -4.112 -17.341 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.139 -4.022 -16.799 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.560 -4.963 -18.249 1.00 0.00 H new ATOM 558 N TYR A 34 3.282 -0.586 -19.699 1.00 0.00 N ATOM 559 CA TYR A 34 3.015 0.506 -20.620 1.00 0.00 C ATOM 560 C TYR A 34 3.656 1.807 -20.126 1.00 0.00 C ATOM 561 O TYR A 34 3.793 2.017 -18.923 1.00 0.00 O ATOM 562 CB TYR A 34 1.495 0.678 -20.642 1.00 0.00 C ATOM 563 CG TYR A 34 0.730 -0.601 -20.984 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.834 -1.708 -20.164 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.064 -0.652 -22.112 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.114 -2.913 -20.486 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.785 -1.856 -22.433 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.659 -2.927 -21.605 1.00 0.00 C ATOM 569 OH TYR A 34 -1.339 -4.065 -21.909 1.00 0.00 O ATOM 0 H TYR A 34 2.938 -0.438 -18.750 1.00 0.00 H new ATOM 0 HA TYR A 34 3.425 0.286 -21.606 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.166 1.036 -19.667 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.237 1.449 -21.368 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.455 -1.670 -19.281 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.144 0.212 -22.754 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.186 -3.785 -19.853 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.411 -1.907 -23.311 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.381 -4.642 -21.118 1.00 0.00 H new ATOM 579 N ASP A 35 4.030 2.643 -21.082 1.00 0.00 N ATOM 580 CA ASP A 35 4.652 3.917 -20.761 1.00 0.00 C ATOM 581 C ASP A 35 3.571 4.993 -20.644 1.00 0.00 C ATOM 582 O ASP A 35 3.219 5.634 -21.634 1.00 0.00 O ATOM 583 CB ASP A 35 5.629 4.345 -21.858 1.00 0.00 C ATOM 584 CG ASP A 35 7.087 4.474 -21.411 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.701 3.414 -21.162 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.554 5.629 -21.330 1.00 0.00 O ATOM 0 H ASP A 35 3.915 2.464 -22.080 1.00 0.00 H new ATOM 0 HA ASP A 35 5.193 3.801 -19.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.577 3.622 -22.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.302 5.303 -22.261 1.00 0.00 H new ATOM 591 N LEU A 36 3.074 5.158 -19.428 1.00 0.00 N ATOM 592 CA LEU A 36 2.041 6.146 -19.170 1.00 0.00 C ATOM 593 C LEU A 36 2.526 7.520 -19.634 1.00 0.00 C ATOM 594 O LEU A 36 1.721 8.375 -19.999 1.00 0.00 O ATOM 595 CB LEU A 36 1.619 6.108 -17.699 1.00 0.00 C ATOM 596 CG LEU A 36 0.712 4.946 -17.290 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.026 5.229 -15.952 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.296 4.623 -18.394 1.00 0.00 C ATOM 0 H LEU A 36 3.367 4.624 -18.610 1.00 0.00 H new ATOM 0 HA LEU A 36 1.143 5.915 -19.743 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.519 6.074 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.108 7.042 -17.464 1.00 0.00 H new ATOM 0 HG LEU A 36 1.333 4.061 -17.152 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.613 4.387 -15.685 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.781 5.371 -15.179 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.580 6.131 -16.037 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.928 3.793 -18.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.916 5.498 -18.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.237 4.347 -19.304 1.00 0.00 H new ATOM 610 N THR A 37 3.840 7.689 -19.607 1.00 0.00 N ATOM 611 CA THR A 37 4.443 8.944 -20.021 1.00 0.00 C ATOM 612 C THR A 37 3.983 9.315 -21.433 1.00 0.00 C ATOM 613 O THR A 37 3.717 10.482 -21.715 1.00 0.00 O ATOM 614 CB THR A 37 5.960 8.805 -19.894 1.00 0.00 C ATOM 615 OG1 THR A 37 6.225 9.125 -18.530 1.00 0.00 O ATOM 616 CG2 THR A 37 6.716 9.878 -20.681 1.00 0.00 C ATOM 0 H THR A 37 4.504 6.977 -19.304 1.00 0.00 H new ATOM 0 HA THR A 37 4.124 9.767 -19.381 1.00 0.00 H new ATOM 0 HB THR A 37 6.264 7.818 -20.243 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.385 9.351 -18.078 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.789 9.733 -20.556 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.460 9.802 -21.738 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.438 10.865 -20.310 1.00 0.00 H new ATOM 624 N LYS A 38 3.903 8.301 -22.281 1.00 0.00 N ATOM 625 CA LYS A 38 3.480 8.507 -23.656 1.00 0.00 C ATOM 626 C LYS A 38 1.966 8.723 -23.692 1.00 0.00 C ATOM 627 O LYS A 38 1.427 9.198 -24.691 1.00 0.00 O ATOM 628 CB LYS A 38 3.958 7.352 -24.541 1.00 0.00 C ATOM 629 CG LYS A 38 5.432 7.520 -24.912 1.00 0.00 C ATOM 630 CD LYS A 38 6.110 6.161 -25.094 1.00 0.00 C ATOM 631 CE LYS A 38 5.809 5.578 -26.476 1.00 0.00 C ATOM 632 NZ LYS A 38 6.758 4.490 -26.799 1.00 0.00 N ATOM 0 H LYS A 38 4.124 7.334 -22.043 1.00 0.00 H new ATOM 0 HA LYS A 38 3.940 9.406 -24.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.816 6.406 -24.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.354 7.309 -25.447 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.515 8.098 -25.832 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.945 8.085 -24.133 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.187 6.268 -24.968 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.766 5.473 -24.322 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.788 5.197 -26.502 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.876 6.362 -27.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.539 4.106 -27.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.729 4.863 -26.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.675 3.735 -26.089 1.00 0.00 H new ATOM 646 N PHE A 39 1.323 8.365 -22.591 1.00 0.00 N ATOM 647 CA PHE A 39 -0.119 8.515 -22.484 1.00 0.00 C ATOM 648 C PHE A 39 -0.493 9.368 -21.271 1.00 0.00 C ATOM 649 O PHE A 39 -1.330 8.972 -20.463 1.00 0.00 O ATOM 650 CB PHE A 39 -0.702 7.111 -22.305 1.00 0.00 C ATOM 651 CG PHE A 39 -2.228 7.053 -22.419 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.857 7.680 -23.447 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.952 6.372 -21.489 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.273 7.626 -23.552 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.368 6.318 -21.595 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.997 6.945 -22.623 1.00 0.00 C ATOM 0 H PHE A 39 1.773 7.971 -21.765 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.509 9.008 -23.375 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.266 6.449 -23.054 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.406 6.727 -21.329 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.281 8.219 -24.184 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.451 5.874 -20.672 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.774 8.125 -24.368 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.944 5.778 -20.858 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.073 6.903 -22.703 1.00 0.00 H new ATOM 666 N LEU A 40 0.146 10.525 -21.183 1.00 0.00 N ATOM 667 CA LEU A 40 -0.109 11.440 -20.082 1.00 0.00 C ATOM 668 C LEU A 40 -1.083 12.527 -20.543 1.00 0.00 C ATOM 669 O LEU A 40 -1.936 12.967 -19.773 1.00 0.00 O ATOM 670 CB LEU A 40 1.205 11.988 -19.526 1.00 0.00 C ATOM 671 CG LEU A 40 1.362 11.940 -18.004 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.098 10.672 -17.569 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.043 13.206 -17.483 1.00 0.00 C ATOM 0 H LEU A 40 0.840 10.850 -21.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.585 10.916 -19.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.027 11.430 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.310 13.024 -19.850 1.00 0.00 H new ATOM 0 HG LEU A 40 0.368 11.904 -17.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.196 10.663 -16.483 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.534 9.796 -17.890 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.089 10.652 -18.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.142 13.146 -16.399 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.031 13.299 -17.933 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.442 14.077 -17.745 1.00 0.00 H new ATOM 685 N GLU A 41 -0.924 12.926 -21.796 1.00 0.00 N ATOM 686 CA GLU A 41 -1.779 13.953 -22.367 1.00 0.00 C ATOM 687 C GLU A 41 -3.229 13.469 -22.419 1.00 0.00 C ATOM 688 O GLU A 41 -4.115 14.090 -21.834 1.00 0.00 O ATOM 689 CB GLU A 41 -1.288 14.362 -23.757 1.00 0.00 C ATOM 690 CG GLU A 41 -0.449 15.640 -23.689 1.00 0.00 C ATOM 691 CD GLU A 41 0.439 15.781 -24.926 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.102 16.211 -25.967 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.640 15.454 -24.803 1.00 0.00 O ATOM 0 H GLU A 41 -0.217 12.557 -22.432 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.734 14.834 -21.726 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.695 13.556 -24.189 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.142 14.518 -24.417 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.106 16.506 -23.608 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.171 15.625 -22.792 1.00 0.00 H new ATOM 700 N GLU A 42 -3.425 12.364 -23.122 1.00 0.00 N ATOM 701 CA GLU A 42 -4.754 11.789 -23.258 1.00 0.00 C ATOM 702 C GLU A 42 -5.388 11.589 -21.880 1.00 0.00 C ATOM 703 O GLU A 42 -4.859 12.060 -20.875 1.00 0.00 O ATOM 704 CB GLU A 42 -4.705 10.472 -24.035 1.00 0.00 C ATOM 705 CG GLU A 42 -4.672 10.727 -25.544 1.00 0.00 C ATOM 706 CD GLU A 42 -6.075 10.631 -26.146 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.873 9.835 -25.603 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.319 11.353 -27.137 1.00 0.00 O ATOM 0 H GLU A 42 -2.687 11.851 -23.604 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.373 12.484 -23.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.823 9.904 -23.739 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.575 9.865 -23.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.255 11.715 -25.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.015 10.002 -26.025 1.00 0.00 H new ATOM 715 N HIS A 43 -6.513 10.890 -21.878 1.00 0.00 N ATOM 716 CA HIS A 43 -7.225 10.622 -20.640 1.00 0.00 C ATOM 717 C HIS A 43 -8.159 11.792 -20.322 1.00 0.00 C ATOM 718 O HIS A 43 -7.712 12.931 -20.194 1.00 0.00 O ATOM 719 CB HIS A 43 -6.246 10.319 -19.504 1.00 0.00 C ATOM 720 CG HIS A 43 -6.587 9.079 -18.714 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.690 8.043 -18.520 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.735 8.720 -18.070 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.282 7.108 -17.791 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.549 7.529 -17.515 1.00 0.00 N ATOM 0 H HIS A 43 -6.949 10.501 -22.714 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.842 9.731 -20.757 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.245 10.208 -19.921 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.216 11.172 -18.826 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.735 8.006 -18.877 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.641 9.306 -18.020 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.839 6.176 -17.472 1.00 0.00 H new ATOM 733 N PRO A 44 -9.473 11.462 -20.199 1.00 0.00 N ATOM 734 CA PRO A 44 -10.473 12.471 -19.898 1.00 0.00 C ATOM 735 C PRO A 44 -10.406 12.889 -18.428 1.00 0.00 C ATOM 736 O PRO A 44 -11.227 13.680 -17.964 1.00 0.00 O ATOM 737 CB PRO A 44 -11.801 11.833 -20.274 1.00 0.00 C ATOM 738 CG PRO A 44 -11.544 10.337 -20.332 1.00 0.00 C ATOM 739 CD PRO A 44 -10.038 10.123 -20.343 1.00 0.00 C ATOM 0 HA PRO A 44 -10.318 13.395 -20.454 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.570 12.069 -19.538 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.155 12.206 -21.235 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.994 9.839 -19.473 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.997 9.906 -21.225 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.725 9.471 -19.528 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.711 9.653 -21.271 1.00 0.00 H new ATOM 747 N GLY A 45 -9.420 12.338 -17.735 1.00 0.00 N ATOM 748 CA GLY A 45 -9.234 12.644 -16.326 1.00 0.00 C ATOM 749 C GLY A 45 -8.029 13.564 -16.118 1.00 0.00 C ATOM 750 O GLY A 45 -8.124 14.566 -15.411 1.00 0.00 O ATOM 0 H GLY A 45 -8.742 11.682 -18.122 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.132 13.120 -15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.091 11.720 -15.765 1.00 0.00 H new ATOM 754 N GLY A 46 -6.925 13.190 -16.747 1.00 0.00 N ATOM 755 CA GLY A 46 -5.703 13.969 -16.641 1.00 0.00 C ATOM 756 C GLY A 46 -4.469 13.068 -16.732 1.00 0.00 C ATOM 757 O GLY A 46 -4.561 11.929 -17.184 1.00 0.00 O ATOM 0 H GLY A 46 -6.851 12.358 -17.332 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.673 14.715 -17.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.693 14.510 -15.695 1.00 0.00 H new ATOM 761 N GLU A 47 -3.343 13.615 -16.297 1.00 0.00 N ATOM 762 CA GLU A 47 -2.092 12.876 -16.323 1.00 0.00 C ATOM 763 C GLU A 47 -1.956 12.018 -15.064 1.00 0.00 C ATOM 764 O GLU A 47 -1.597 10.843 -15.144 1.00 0.00 O ATOM 765 CB GLU A 47 -0.900 13.822 -16.475 1.00 0.00 C ATOM 766 CG GLU A 47 -0.854 14.426 -17.880 1.00 0.00 C ATOM 767 CD GLU A 47 -0.189 15.803 -17.862 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.592 16.619 -17.005 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.709 16.011 -18.706 1.00 0.00 O ATOM 0 H GLU A 47 -3.271 14.562 -15.924 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.101 12.215 -17.189 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.967 14.619 -15.735 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.025 13.281 -16.278 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.305 13.762 -18.548 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.866 14.512 -18.276 1.00 0.00 H new ATOM 776 N GLU A 48 -2.249 12.637 -13.930 1.00 0.00 N ATOM 777 CA GLU A 48 -2.164 11.944 -12.656 1.00 0.00 C ATOM 778 C GLU A 48 -2.902 10.606 -12.727 1.00 0.00 C ATOM 779 O GLU A 48 -2.376 9.580 -12.299 1.00 0.00 O ATOM 780 CB GLU A 48 -2.713 12.814 -11.522 1.00 0.00 C ATOM 781 CG GLU A 48 -1.778 12.787 -10.309 1.00 0.00 C ATOM 782 CD GLU A 48 -1.741 14.152 -9.619 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.822 14.770 -9.524 1.00 0.00 O ATOM 784 OE2 GLU A 48 -0.630 14.545 -9.199 1.00 0.00 O ATOM 0 H GLU A 48 -2.546 13.611 -13.867 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.114 11.745 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.833 13.840 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.702 12.459 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.113 12.027 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.773 12.507 -10.625 1.00 0.00 H new ATOM 791 N VAL A 49 -4.108 10.662 -13.272 1.00 0.00 N ATOM 792 CA VAL A 49 -4.924 9.466 -13.406 1.00 0.00 C ATOM 793 C VAL A 49 -4.033 8.287 -13.799 1.00 0.00 C ATOM 794 O VAL A 49 -4.331 7.140 -13.466 1.00 0.00 O ATOM 795 CB VAL A 49 -6.060 9.715 -14.400 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.511 9.942 -15.810 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.068 8.566 -14.381 1.00 0.00 C ATOM 0 H VAL A 49 -4.540 11.516 -13.626 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.393 9.216 -12.454 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.583 10.621 -14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.338 10.117 -16.499 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.851 10.809 -15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.953 9.062 -16.129 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.865 8.769 -15.097 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.566 7.637 -14.651 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.493 8.472 -13.382 1.00 0.00 H new ATOM 807 N LEU A 50 -2.957 8.608 -14.503 1.00 0.00 N ATOM 808 CA LEU A 50 -2.020 7.590 -14.945 1.00 0.00 C ATOM 809 C LEU A 50 -0.810 7.576 -14.010 1.00 0.00 C ATOM 810 O LEU A 50 -0.262 6.515 -13.712 1.00 0.00 O ATOM 811 CB LEU A 50 -1.659 7.798 -16.416 1.00 0.00 C ATOM 812 CG LEU A 50 -2.832 7.835 -17.398 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.995 9.228 -18.008 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.684 6.753 -18.470 1.00 0.00 C ATOM 0 H LEU A 50 -2.714 9.560 -14.778 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.476 6.602 -14.890 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.107 8.734 -16.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.982 6.999 -16.720 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.746 7.618 -16.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.836 9.225 -18.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.181 9.953 -17.215 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.085 9.500 -18.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.531 6.801 -19.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.759 6.914 -19.024 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.657 5.772 -17.996 1.00 0.00 H new ATOM 826 N ARG A 51 -0.426 8.766 -13.573 1.00 0.00 N ATOM 827 CA ARG A 51 0.710 8.904 -12.677 1.00 0.00 C ATOM 828 C ARG A 51 0.406 8.248 -11.329 1.00 0.00 C ATOM 829 O ARG A 51 1.266 7.588 -10.747 1.00 0.00 O ATOM 830 CB ARG A 51 1.059 10.377 -12.454 1.00 0.00 C ATOM 831 CG ARG A 51 2.566 10.560 -12.256 1.00 0.00 C ATOM 832 CD ARG A 51 2.911 10.708 -10.773 1.00 0.00 C ATOM 833 NE ARG A 51 2.903 12.138 -10.393 1.00 0.00 N ATOM 834 CZ ARG A 51 3.304 12.600 -9.200 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.747 11.749 -8.266 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.262 13.915 -8.943 1.00 0.00 N ATOM 0 H ARG A 51 -0.881 9.644 -13.823 1.00 0.00 H new ATOM 0 HA ARG A 51 1.562 8.407 -13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.727 10.967 -13.308 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.526 10.753 -11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.098 9.705 -12.673 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.903 11.442 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.191 10.158 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.892 10.276 -10.574 1.00 0.00 H new ATOM 0 HE ARG A 51 2.572 12.814 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.780 10.749 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.052 12.101 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.925 14.563 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.567 14.267 -8.036 1.00 0.00 H new ATOM 850 N GLU A 52 -0.820 8.456 -10.871 1.00 0.00 N ATOM 851 CA GLU A 52 -1.247 7.893 -9.600 1.00 0.00 C ATOM 852 C GLU A 52 -1.215 6.365 -9.660 1.00 0.00 C ATOM 853 O GLU A 52 -1.237 5.699 -8.624 1.00 0.00 O ATOM 854 CB GLU A 52 -2.641 8.397 -9.219 1.00 0.00 C ATOM 855 CG GLU A 52 -3.692 7.915 -10.221 1.00 0.00 C ATOM 856 CD GLU A 52 -4.955 7.437 -9.502 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.819 8.302 -9.239 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.029 6.218 -9.234 1.00 0.00 O ATOM 0 H GLU A 52 -1.530 9.005 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.553 8.222 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.898 8.045 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.640 9.486 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.944 8.724 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.282 7.103 -10.822 1.00 0.00 H new ATOM 865 N GLN A 53 -1.163 5.852 -10.880 1.00 0.00 N ATOM 866 CA GLN A 53 -1.128 4.415 -11.087 1.00 0.00 C ATOM 867 C GLN A 53 0.277 3.972 -11.503 1.00 0.00 C ATOM 868 O GLN A 53 0.631 2.802 -11.364 1.00 0.00 O ATOM 869 CB GLN A 53 -2.167 3.983 -12.124 1.00 0.00 C ATOM 870 CG GLN A 53 -1.970 4.732 -13.443 1.00 0.00 C ATOM 871 CD GLN A 53 -3.024 4.322 -14.470 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.883 3.345 -15.189 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.090 5.119 -14.502 1.00 0.00 N ATOM 0 H GLN A 53 -1.144 6.407 -11.736 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.379 3.927 -10.145 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.089 2.910 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.169 4.173 -11.740 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.027 5.806 -13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.975 4.526 -13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.147 5.921 -13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.850 4.928 -15.155 1.00 0.00 H new ATOM 882 N ALA A 54 1.041 4.933 -12.004 1.00 0.00 N ATOM 883 CA ALA A 54 2.399 4.657 -12.441 1.00 0.00 C ATOM 884 C ALA A 54 3.241 4.231 -11.237 1.00 0.00 C ATOM 885 O ALA A 54 3.241 4.903 -10.206 1.00 0.00 O ATOM 886 CB ALA A 54 2.969 5.891 -13.144 1.00 0.00 C ATOM 0 H ALA A 54 0.745 5.903 -12.117 1.00 0.00 H new ATOM 0 HA ALA A 54 2.412 3.837 -13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.988 5.685 -13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.352 6.135 -14.009 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.974 6.734 -12.453 1.00 0.00 H new ATOM 892 N GLY A 55 3.936 3.116 -11.408 1.00 0.00 N ATOM 893 CA GLY A 55 4.780 2.592 -10.347 1.00 0.00 C ATOM 894 C GLY A 55 4.339 1.185 -9.940 1.00 0.00 C ATOM 895 O GLY A 55 4.680 0.712 -8.857 1.00 0.00 O ATOM 0 H GLY A 55 3.932 2.561 -12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.818 2.570 -10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.737 3.255 -9.483 1.00 0.00 H new ATOM 899 N GLY A 56 3.586 0.554 -10.830 1.00 0.00 N ATOM 900 CA GLY A 56 3.094 -0.790 -10.576 1.00 0.00 C ATOM 901 C GLY A 56 1.898 -1.114 -11.475 1.00 0.00 C ATOM 902 O GLY A 56 1.519 -0.309 -12.325 1.00 0.00 O ATOM 0 H GLY A 56 3.305 0.949 -11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.891 -1.512 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.803 -0.883 -9.530 1.00 0.00 H new ATOM 906 N ASP A 57 1.339 -2.294 -11.256 1.00 0.00 N ATOM 907 CA ASP A 57 0.194 -2.734 -12.034 1.00 0.00 C ATOM 908 C ASP A 57 -1.010 -1.845 -11.713 1.00 0.00 C ATOM 909 O ASP A 57 -1.355 -1.660 -10.546 1.00 0.00 O ATOM 910 CB ASP A 57 -0.182 -4.178 -11.694 1.00 0.00 C ATOM 911 CG ASP A 57 -1.683 -4.439 -11.545 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.442 -3.862 -12.353 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.036 -5.210 -10.627 1.00 0.00 O ATOM 0 H ASP A 57 1.657 -2.959 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 57 0.460 -2.669 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.209 -4.832 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.314 -4.457 -10.764 1.00 0.00 H new ATOM 918 N ALA A 58 -1.617 -1.321 -12.767 1.00 0.00 N ATOM 919 CA ALA A 58 -2.774 -0.456 -12.611 1.00 0.00 C ATOM 920 C ALA A 58 -4.028 -1.203 -13.071 1.00 0.00 C ATOM 921 O ALA A 58 -5.145 -0.817 -12.728 1.00 0.00 O ATOM 922 CB ALA A 58 -2.550 0.842 -13.389 1.00 0.00 C ATOM 0 H ALA A 58 -1.329 -1.479 -13.733 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.915 -0.188 -11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.418 1.491 -13.272 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.664 1.348 -13.005 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.408 0.613 -14.445 1.00 0.00 H new ATOM 928 N THR A 59 -3.802 -2.257 -13.841 1.00 0.00 N ATOM 929 CA THR A 59 -4.900 -3.060 -14.352 1.00 0.00 C ATOM 930 C THR A 59 -5.937 -3.304 -13.254 1.00 0.00 C ATOM 931 O THR A 59 -7.121 -3.030 -13.442 1.00 0.00 O ATOM 932 CB THR A 59 -4.313 -4.348 -14.931 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.184 -4.670 -16.013 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.451 -5.536 -13.975 1.00 0.00 C ATOM 0 H THR A 59 -2.875 -2.574 -14.124 1.00 0.00 H new ATOM 0 HA THR A 59 -5.433 -2.542 -15.149 1.00 0.00 H new ATOM 0 HB THR A 59 -3.260 -4.193 -15.168 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.761 -3.902 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.019 -6.425 -14.434 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.927 -5.317 -13.045 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.506 -5.713 -13.764 1.00 0.00 H new ATOM 942 N GLU A 60 -5.454 -3.817 -12.132 1.00 0.00 N ATOM 943 CA GLU A 60 -6.325 -4.102 -11.004 1.00 0.00 C ATOM 944 C GLU A 60 -7.337 -2.971 -10.816 1.00 0.00 C ATOM 945 O GLU A 60 -8.493 -3.218 -10.470 1.00 0.00 O ATOM 946 CB GLU A 60 -5.512 -4.328 -9.727 1.00 0.00 C ATOM 947 CG GLU A 60 -4.412 -3.273 -9.584 1.00 0.00 C ATOM 948 CD GLU A 60 -4.642 -2.407 -8.345 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.128 -2.800 -7.275 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.325 -1.370 -8.496 1.00 0.00 O ATOM 0 H GLU A 60 -4.471 -4.043 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.872 -5.021 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.172 -4.291 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.067 -5.323 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.440 -3.762 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.389 -2.643 -10.473 1.00 0.00 H new ATOM 957 N ASN A 61 -6.868 -1.755 -11.053 1.00 0.00 N ATOM 958 CA ASN A 61 -7.719 -0.583 -10.914 1.00 0.00 C ATOM 959 C ASN A 61 -8.391 -0.286 -12.256 1.00 0.00 C ATOM 960 O ASN A 61 -9.612 -0.150 -12.326 1.00 0.00 O ATOM 961 CB ASN A 61 -6.902 0.644 -10.511 1.00 0.00 C ATOM 962 CG ASN A 61 -7.483 1.303 -9.257 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.686 1.367 -9.059 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.566 1.786 -8.425 1.00 0.00 N ATOM 0 H ASN A 61 -5.910 -1.555 -11.340 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.460 -0.792 -10.142 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.868 0.352 -10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.889 1.362 -11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.853 2.244 -7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.575 1.699 -8.652 1.00 0.00 H new ATOM 971 N PHE A 62 -7.566 -0.193 -13.289 1.00 0.00 N ATOM 972 CA PHE A 62 -8.066 0.086 -14.623 1.00 0.00 C ATOM 973 C PHE A 62 -9.193 -0.876 -15.000 1.00 0.00 C ATOM 974 O PHE A 62 -9.950 -0.616 -15.933 1.00 0.00 O ATOM 975 CB PHE A 62 -6.896 -0.116 -15.590 1.00 0.00 C ATOM 976 CG PHE A 62 -7.258 -0.908 -16.847 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.415 -2.257 -16.778 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.420 -0.264 -18.034 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.751 -2.994 -17.945 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.754 -1.000 -19.202 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.914 -2.349 -19.132 1.00 0.00 C ATOM 0 H PHE A 62 -6.554 -0.306 -13.228 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.461 1.101 -14.666 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.510 0.859 -15.886 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.091 -0.632 -15.067 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.284 -2.768 -15.836 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.295 0.807 -18.088 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.877 -4.065 -17.890 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.881 -0.489 -20.145 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.171 -2.909 -20.019 1.00 0.00 H new ATOM 991 N GLU A 63 -9.270 -1.969 -14.253 1.00 0.00 N ATOM 992 CA GLU A 63 -10.293 -2.971 -14.496 1.00 0.00 C ATOM 993 C GLU A 63 -11.603 -2.568 -13.818 1.00 0.00 C ATOM 994 O GLU A 63 -12.684 -2.826 -14.346 1.00 0.00 O ATOM 995 CB GLU A 63 -9.831 -4.352 -14.023 1.00 0.00 C ATOM 996 CG GLU A 63 -9.135 -5.113 -15.151 1.00 0.00 C ATOM 997 CD GLU A 63 -9.812 -6.462 -15.401 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.039 -7.178 -14.401 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.088 -6.748 -16.586 1.00 0.00 O ATOM 0 H GLU A 63 -8.640 -2.182 -13.479 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.467 -3.031 -15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.150 -4.242 -13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.688 -4.924 -13.668 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.156 -4.517 -16.063 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.087 -5.270 -14.896 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.464 -1.943 -12.658 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.624 -1.501 -11.902 1.00 0.00 C ATOM 1008 C ASP A 64 -13.298 -0.343 -12.639 1.00 0.00 C ATOM 1009 O ASP A 64 -14.520 -0.205 -12.600 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.219 -1.005 -10.512 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.189 -0.010 -9.872 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.044 1.195 -10.171 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.054 -0.478 -9.100 1.00 0.00 O ATOM 0 H ASP A 64 -10.566 -1.732 -12.223 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.302 -2.348 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.117 -1.866 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.237 -0.538 -10.581 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.471 0.460 -13.294 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.973 1.602 -14.039 1.00 0.00 C ATOM 1020 C VAL A 65 -13.521 1.126 -15.386 1.00 0.00 C ATOM 1021 O VAL A 65 -13.943 1.936 -16.211 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.875 2.657 -14.181 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.488 2.033 -14.007 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.983 3.384 -15.523 1.00 0.00 C ATOM 0 H VAL A 65 -11.458 0.342 -13.324 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.795 2.076 -13.503 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.014 3.392 -13.389 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.726 2.805 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.413 1.582 -13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.336 1.267 -14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.191 4.129 -15.598 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.883 2.664 -16.336 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.952 3.877 -15.592 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.499 -0.187 -15.568 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.990 -0.781 -16.800 1.00 0.00 C ATOM 1036 C GLY A 66 -13.668 0.109 -18.002 1.00 0.00 C ATOM 1037 O GLY A 66 -14.545 0.797 -18.522 1.00 0.00 O ATOM 0 H GLY A 66 -13.149 -0.856 -14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.540 -1.764 -16.939 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.067 -0.931 -16.732 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.407 0.066 -18.411 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.960 0.860 -19.542 1.00 0.00 C ATOM 1043 C HIS A 67 -12.603 0.330 -20.825 1.00 0.00 C ATOM 1044 O HIS A 67 -13.304 -0.680 -20.803 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.432 0.892 -19.613 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.793 1.878 -18.664 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.366 1.528 -17.396 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.515 3.204 -18.813 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.854 2.604 -16.815 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.949 3.641 -17.694 1.00 0.00 N ATOM 0 H HIS A 67 -11.682 -0.507 -17.979 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.281 1.894 -19.416 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.048 -0.105 -19.398 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.131 1.137 -20.632 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.434 0.600 -16.979 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.720 3.798 -19.691 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.435 2.651 -15.820 1.00 0.00 H new ATOM 1059 N SER A 68 -12.339 1.036 -21.915 1.00 0.00 N ATOM 1060 CA SER A 68 -12.883 0.651 -23.208 1.00 0.00 C ATOM 1061 C SER A 68 -11.822 -0.099 -24.018 1.00 0.00 C ATOM 1062 O SER A 68 -10.638 0.219 -23.941 1.00 0.00 O ATOM 1063 CB SER A 68 -13.380 1.872 -23.984 1.00 0.00 C ATOM 1064 OG SER A 68 -12.344 2.468 -24.758 1.00 0.00 O ATOM 0 H SER A 68 -11.756 1.873 -21.930 1.00 0.00 H new ATOM 0 HA SER A 68 -13.735 -0.007 -23.039 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.199 1.576 -24.640 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.780 2.607 -23.286 1.00 0.00 H new ATOM 0 HG SER A 68 -12.177 3.378 -24.435 1.00 0.00 H new ATOM 1070 N THR A 69 -12.288 -1.080 -24.777 1.00 0.00 N ATOM 1071 CA THR A 69 -11.396 -1.877 -25.601 1.00 0.00 C ATOM 1072 C THR A 69 -10.463 -0.971 -26.408 1.00 0.00 C ATOM 1073 O THR A 69 -9.390 -1.398 -26.830 1.00 0.00 O ATOM 1074 CB THR A 69 -12.253 -2.797 -26.473 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.559 -3.898 -25.620 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.459 -3.424 -27.620 1.00 0.00 C ATOM 0 H THR A 69 -13.272 -1.341 -24.838 1.00 0.00 H new ATOM 0 HA THR A 69 -10.744 -2.500 -24.989 1.00 0.00 H new ATOM 0 HB THR A 69 -13.093 -2.233 -26.879 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.114 -4.543 -26.105 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.114 -4.067 -28.207 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.057 -2.636 -28.258 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.639 -4.016 -27.214 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.906 0.263 -26.594 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.125 1.233 -27.342 1.00 0.00 C ATOM 1086 C ASP A 70 -8.956 1.714 -26.480 1.00 0.00 C ATOM 1087 O ASP A 70 -7.820 1.775 -26.948 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.971 2.453 -27.714 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.268 3.481 -28.604 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.003 3.130 -29.774 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.011 4.592 -28.094 1.00 0.00 O ATOM 0 H ASP A 70 -11.796 0.614 -26.240 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.769 0.750 -28.252 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.872 2.110 -28.223 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.291 2.947 -26.797 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.275 2.042 -25.237 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.265 2.516 -24.304 1.00 0.00 C ATOM 1098 C ALA A 71 -7.204 1.430 -24.116 1.00 0.00 C ATOM 1099 O ALA A 71 -6.012 1.726 -24.048 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.933 2.914 -22.987 1.00 0.00 C ATOM 0 H ALA A 71 -10.219 1.989 -24.853 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.765 3.402 -24.695 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.176 3.269 -22.288 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.657 3.707 -23.172 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.443 2.049 -22.562 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.676 0.193 -24.036 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.782 -0.938 -23.856 1.00 0.00 C ATOM 1108 C ARG A 72 -5.869 -1.093 -25.074 1.00 0.00 C ATOM 1109 O ARG A 72 -4.664 -1.293 -24.930 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.568 -2.234 -23.648 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.635 -2.059 -22.565 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.387 -3.368 -22.319 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.429 -4.492 -22.225 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.745 -5.772 -22.464 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.997 -6.098 -22.813 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.810 -6.726 -22.353 1.00 0.00 N ATOM 0 H ARG A 72 -8.665 -0.050 -24.093 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.179 -0.746 -22.968 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.040 -2.532 -24.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.886 -3.036 -23.366 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.167 -1.725 -21.639 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.338 -1.282 -22.865 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.967 -3.296 -21.399 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.094 -3.549 -23.129 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.467 -4.279 -21.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.709 -5.372 -22.897 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.238 -7.072 -22.995 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.857 -6.478 -22.086 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.051 -7.700 -22.535 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.479 -0.996 -26.246 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.738 -1.123 -27.489 1.00 0.00 C ATOM 1132 C GLU A 73 -4.780 0.059 -27.659 1.00 0.00 C ATOM 1133 O GLU A 73 -3.660 -0.110 -28.137 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.686 -1.238 -28.684 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.221 -2.329 -29.650 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.013 -2.277 -30.959 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.108 -2.882 -30.983 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -6.507 -1.637 -31.903 1.00 0.00 O ATOM 0 H GLU A 73 -7.479 -0.831 -26.361 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.149 -2.039 -27.446 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.693 -1.463 -28.333 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.736 -0.282 -29.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.158 -2.206 -29.859 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.343 -3.307 -29.185 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.258 1.227 -27.260 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.458 2.437 -27.362 1.00 0.00 C ATOM 1147 C LEU A 74 -3.181 2.269 -26.538 1.00 0.00 C ATOM 1148 O LEU A 74 -2.109 2.709 -26.951 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.288 3.661 -26.971 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.763 4.476 -25.786 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.851 5.608 -26.260 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.916 4.990 -24.921 1.00 0.00 C ATOM 0 H LEU A 74 -6.189 1.363 -26.865 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.151 2.606 -28.394 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.358 4.319 -27.837 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.300 3.330 -26.739 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.159 3.819 -25.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.492 6.171 -25.398 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.001 5.189 -26.799 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.409 6.272 -26.921 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.516 5.566 -24.086 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.566 5.626 -25.522 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.488 4.145 -24.538 1.00 0.00 H new ATOM 1164 N SER A 75 -3.336 1.633 -25.386 1.00 0.00 N ATOM 1165 CA SER A 75 -2.208 1.403 -24.499 1.00 0.00 C ATOM 1166 C SER A 75 -1.209 0.453 -25.161 1.00 0.00 C ATOM 1167 O SER A 75 -0.018 0.489 -24.855 1.00 0.00 O ATOM 1168 CB SER A 75 -2.672 0.835 -23.156 1.00 0.00 C ATOM 1169 OG SER A 75 -4.088 0.693 -23.095 1.00 0.00 O ATOM 0 H SER A 75 -4.226 1.270 -25.046 1.00 0.00 H new ATOM 0 HA SER A 75 -1.720 2.359 -24.309 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.203 -0.135 -22.992 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.339 1.490 -22.351 1.00 0.00 H new ATOM 0 HG SER A 75 -4.513 1.538 -23.352 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.730 -0.374 -26.055 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.897 -1.331 -26.763 1.00 0.00 C ATOM 1177 C LYS A 76 0.148 -0.579 -27.589 1.00 0.00 C ATOM 1178 O LYS A 76 1.183 -1.140 -27.946 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.762 -2.287 -27.588 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.928 -1.776 -29.020 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.027 -2.548 -29.986 1.00 0.00 C ATOM 1182 CE LYS A 76 0.200 -1.721 -30.372 1.00 0.00 C ATOM 1183 NZ LYS A 76 0.329 -1.638 -31.843 1.00 0.00 N ATOM 0 H LYS A 76 -2.718 -0.401 -26.305 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.354 -1.959 -26.057 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.306 -3.277 -27.602 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.741 -2.394 -27.120 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.969 -1.878 -29.328 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.686 -0.714 -29.061 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.709 -3.483 -29.524 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.589 -2.811 -30.882 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.117 -0.719 -29.952 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.097 -2.171 -29.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.167 -1.073 -32.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.430 -2.595 -32.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.520 -1.188 -32.241 1.00 0.00 H new ATOM 1197 N THR A 77 -0.159 0.678 -27.868 1.00 0.00 N ATOM 1198 CA THR A 77 0.742 1.513 -28.646 1.00 0.00 C ATOM 1199 C THR A 77 1.808 2.135 -27.740 1.00 0.00 C ATOM 1200 O THR A 77 2.816 2.648 -28.225 1.00 0.00 O ATOM 1201 CB THR A 77 -0.100 2.549 -29.393 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.731 2.956 -30.478 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.308 3.830 -28.583 1.00 0.00 C ATOM 0 H THR A 77 -1.018 1.140 -27.570 1.00 0.00 H new ATOM 0 HA THR A 77 1.289 0.925 -29.383 1.00 0.00 H new ATOM 0 HB THR A 77 -1.069 2.116 -29.643 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.261 3.627 -31.016 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.912 4.531 -29.159 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.820 3.592 -27.650 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.659 4.281 -28.361 1.00 0.00 H new ATOM 1211 N PHE A 78 1.549 2.070 -26.443 1.00 0.00 N ATOM 1212 CA PHE A 78 2.473 2.619 -25.466 1.00 0.00 C ATOM 1213 C PHE A 78 3.231 1.505 -24.742 1.00 0.00 C ATOM 1214 O PHE A 78 4.193 1.771 -24.022 1.00 0.00 O ATOM 1215 CB PHE A 78 1.637 3.395 -24.447 1.00 0.00 C ATOM 1216 CG PHE A 78 1.023 4.684 -25.000 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.788 5.549 -25.718 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.290 4.963 -24.774 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.217 6.744 -26.230 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.859 6.158 -25.287 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.093 7.024 -26.003 1.00 0.00 C ATOM 0 H PHE A 78 0.711 1.645 -26.045 1.00 0.00 H new ATOM 0 HA PHE A 78 3.204 3.256 -25.963 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.837 2.751 -24.082 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.264 3.641 -23.590 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.829 5.327 -25.899 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.898 4.276 -24.205 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.825 7.431 -26.800 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.901 6.380 -25.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.526 7.934 -26.391 1.00 0.00 H new ATOM 1231 N ILE A 79 2.771 0.282 -24.959 1.00 0.00 N ATOM 1232 CA ILE A 79 3.395 -0.874 -24.335 1.00 0.00 C ATOM 1233 C ILE A 79 4.903 -0.836 -24.594 1.00 0.00 C ATOM 1234 O ILE A 79 5.336 -0.744 -25.741 1.00 0.00 O ATOM 1235 CB ILE A 79 2.722 -2.165 -24.805 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.519 -2.508 -23.924 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.729 -3.313 -24.874 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.255 -4.015 -23.919 1.00 0.00 C ATOM 0 H ILE A 79 1.974 0.066 -25.558 1.00 0.00 H new ATOM 0 HA ILE A 79 3.256 -0.845 -23.254 1.00 0.00 H new ATOM 0 HB ILE A 79 2.345 -2.007 -25.815 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.699 -2.163 -22.906 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.636 -1.982 -24.287 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.225 -4.219 -25.211 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.524 -3.058 -25.575 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.157 -3.482 -23.886 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.395 -4.232 -23.285 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.051 -4.352 -24.935 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.131 -4.537 -23.533 1.00 0.00 H new ATOM 1250 N ILE A 80 5.659 -0.908 -23.509 1.00 0.00 N ATOM 1251 CA ILE A 80 7.109 -0.883 -23.604 1.00 0.00 C ATOM 1252 C ILE A 80 7.657 -2.287 -23.339 1.00 0.00 C ATOM 1253 O ILE A 80 8.718 -2.649 -23.845 1.00 0.00 O ATOM 1254 CB ILE A 80 7.688 0.188 -22.680 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.876 0.296 -21.388 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.799 1.533 -23.399 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.718 0.893 -20.258 1.00 0.00 C ATOM 0 H ILE A 80 5.295 -0.984 -22.559 1.00 0.00 H new ATOM 0 HA ILE A 80 7.420 -0.604 -24.611 1.00 0.00 H new ATOM 0 HB ILE A 80 8.698 -0.113 -22.402 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.997 0.917 -21.558 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.517 -0.691 -21.096 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.214 2.276 -22.718 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.452 1.430 -24.265 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.810 1.853 -23.727 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.116 0.958 -19.351 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.584 0.257 -20.074 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.055 1.890 -20.543 1.00 0.00 H new ATOM 1269 N GLY A 81 6.909 -3.039 -22.545 1.00 0.00 N ATOM 1270 CA GLY A 81 7.305 -4.395 -22.207 1.00 0.00 C ATOM 1271 C GLY A 81 6.188 -5.124 -21.459 1.00 0.00 C ATOM 1272 O GLY A 81 5.009 -4.870 -21.697 1.00 0.00 O ATOM 0 H GLY A 81 6.030 -2.734 -22.126 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.555 -4.942 -23.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.204 -4.372 -21.592 1.00 0.00 H new ATOM 1276 N GLU A 82 6.599 -6.015 -20.568 1.00 0.00 N ATOM 1277 CA GLU A 82 5.647 -6.783 -19.783 1.00 0.00 C ATOM 1278 C GLU A 82 6.263 -7.179 -18.440 1.00 0.00 C ATOM 1279 O GLU A 82 7.477 -7.091 -18.260 1.00 0.00 O ATOM 1280 CB GLU A 82 5.169 -8.015 -20.554 1.00 0.00 C ATOM 1281 CG GLU A 82 5.277 -7.794 -22.063 1.00 0.00 C ATOM 1282 CD GLU A 82 4.813 -9.034 -22.833 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.362 -10.119 -22.544 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.922 -8.867 -23.694 1.00 0.00 O ATOM 0 H GLU A 82 7.578 -6.222 -20.372 1.00 0.00 H new ATOM 0 HA GLU A 82 4.776 -6.157 -19.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.764 -8.882 -20.266 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.135 -8.236 -20.288 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.673 -6.934 -22.353 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.309 -7.562 -22.327 1.00 0.00 H new ATOM 1291 N LEU A 83 5.399 -7.609 -17.533 1.00 0.00 N ATOM 1292 CA LEU A 83 5.844 -8.020 -16.213 1.00 0.00 C ATOM 1293 C LEU A 83 6.521 -9.388 -16.310 1.00 0.00 C ATOM 1294 O LEU A 83 5.897 -10.366 -16.715 1.00 0.00 O ATOM 1295 CB LEU A 83 4.681 -7.980 -15.218 1.00 0.00 C ATOM 1296 CG LEU A 83 5.064 -8.000 -13.737 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.543 -8.345 -13.558 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.697 -6.678 -13.058 1.00 0.00 C ATOM 0 H LEU A 83 4.393 -7.682 -17.686 1.00 0.00 H new ATOM 0 HA LEU A 83 6.587 -7.322 -15.828 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.096 -7.080 -15.409 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.030 -8.832 -15.416 1.00 0.00 H new ATOM 0 HG LEU A 83 4.489 -8.785 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.789 -8.352 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.741 -9.329 -13.983 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.155 -7.600 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.980 -6.718 -12.006 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.227 -5.859 -13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.623 -6.513 -13.139 1.00 0.00 H new ATOM 1310 N HIS A 84 7.791 -9.412 -15.931 1.00 0.00 N ATOM 1311 CA HIS A 84 8.560 -10.645 -15.971 1.00 0.00 C ATOM 1312 C HIS A 84 7.957 -11.658 -14.997 1.00 0.00 C ATOM 1313 O HIS A 84 6.902 -11.413 -14.415 1.00 0.00 O ATOM 1314 CB HIS A 84 10.041 -10.369 -15.698 1.00 0.00 C ATOM 1315 CG HIS A 84 10.968 -10.869 -16.782 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.701 -11.363 -18.025 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.344 -10.892 -16.638 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.852 -11.671 -18.610 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.872 -11.380 -17.751 1.00 0.00 N flip ATOM 0 H HIS A 84 8.306 -8.598 -15.595 1.00 0.00 H new ATOM 0 HA HIS A 84 8.508 -11.079 -16.970 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.184 -9.295 -15.578 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.319 -10.835 -14.753 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.894 -10.568 -15.767 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.963 -12.084 -19.602 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.866 -11.515 -17.934 1.00 0.00 H new ATOM 1328 N PRO A 85 8.671 -12.806 -14.847 1.00 0.00 N ATOM 1329 CA PRO A 85 8.216 -13.858 -13.954 1.00 0.00 C ATOM 1330 C PRO A 85 8.455 -13.476 -12.491 1.00 0.00 C ATOM 1331 O PRO A 85 8.423 -14.332 -11.608 1.00 0.00 O ATOM 1332 CB PRO A 85 8.990 -15.095 -14.377 1.00 0.00 C ATOM 1333 CG PRO A 85 10.179 -14.590 -15.177 1.00 0.00 C ATOM 1334 CD PRO A 85 9.925 -13.131 -15.519 1.00 0.00 C ATOM 0 HA PRO A 85 7.142 -14.033 -14.023 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.318 -15.666 -13.509 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.368 -15.758 -14.978 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.098 -14.692 -14.600 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.305 -15.179 -16.086 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.738 -12.495 -15.169 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.847 -12.985 -16.596 1.00 0.00 H new ATOM 1342 N ASP A 86 8.688 -12.189 -12.277 1.00 0.00 N ATOM 1343 CA ASP A 86 8.932 -11.685 -10.938 1.00 0.00 C ATOM 1344 C ASP A 86 7.594 -11.383 -10.261 1.00 0.00 C ATOM 1345 O ASP A 86 7.496 -11.408 -9.034 1.00 0.00 O ATOM 1346 CB ASP A 86 9.745 -10.388 -10.977 1.00 0.00 C ATOM 1347 CG ASP A 86 9.359 -9.351 -9.922 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.551 -9.661 -8.725 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.880 -8.272 -10.333 1.00 0.00 O ATOM 0 H ASP A 86 8.713 -11.480 -13.010 1.00 0.00 H new ATOM 0 HA ASP A 86 9.489 -12.444 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.800 -10.634 -10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.636 -9.938 -11.964 1.00 0.00 H new ATOM 1354 N ASP A 87 6.597 -11.106 -11.088 1.00 0.00 N ATOM 1355 CA ASP A 87 5.269 -10.800 -10.583 1.00 0.00 C ATOM 1356 C ASP A 87 4.248 -10.971 -11.710 1.00 0.00 C ATOM 1357 O ASP A 87 3.493 -10.048 -12.013 1.00 0.00 O ATOM 1358 CB ASP A 87 5.186 -9.355 -10.087 1.00 0.00 C ATOM 1359 CG ASP A 87 5.697 -9.132 -8.661 1.00 0.00 C ATOM 1360 OD1 ASP A 87 6.930 -8.979 -8.519 1.00 0.00 O ATOM 1361 OD2 ASP A 87 4.844 -9.118 -7.748 1.00 0.00 O ATOM 0 H ASP A 87 6.682 -11.087 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 87 5.060 -11.478 -9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.756 -8.720 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.148 -9.027 -10.141 1.00 0.00 H new ATOM 1366 N ARG A 88 4.260 -12.158 -12.300 1.00 0.00 N ATOM 1367 CA ARG A 88 3.344 -12.461 -13.387 1.00 0.00 C ATOM 1368 C ARG A 88 1.916 -12.602 -12.854 1.00 0.00 C ATOM 1369 O ARG A 88 1.194 -11.614 -12.737 1.00 0.00 O ATOM 1370 CB ARG A 88 3.745 -13.754 -14.100 1.00 0.00 C ATOM 1371 CG ARG A 88 4.979 -13.537 -14.978 1.00 0.00 C ATOM 1372 CD ARG A 88 4.645 -12.660 -16.186 1.00 0.00 C ATOM 1373 NE ARG A 88 3.539 -13.266 -16.961 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.687 -14.303 -17.796 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.895 -14.856 -17.971 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.627 -14.788 -18.458 1.00 0.00 N ATOM 0 H ARG A 88 4.889 -12.920 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 88 3.390 -11.637 -14.099 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.951 -14.531 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.916 -14.107 -14.713 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.769 -13.068 -14.391 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.362 -14.499 -15.318 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.362 -11.661 -15.854 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.525 -12.548 -16.819 1.00 0.00 H new ATOM 0 HE ARG A 88 2.606 -12.869 -16.852 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.702 -14.487 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.007 -15.646 -18.607 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.707 -14.367 -18.326 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.740 -15.578 -19.094 1.00 0.00 H new ATOM 1390 N SER A 89 1.553 -13.838 -12.548 1.00 0.00 N ATOM 1391 CA SER A 89 0.224 -14.122 -12.031 1.00 0.00 C ATOM 1392 C SER A 89 -0.038 -13.285 -10.776 1.00 0.00 C ATOM 1393 O SER A 89 -1.177 -13.185 -10.321 1.00 0.00 O ATOM 1394 CB SER A 89 0.059 -15.610 -11.721 1.00 0.00 C ATOM 1395 OG SER A 89 1.148 -16.119 -10.954 1.00 0.00 O ATOM 0 H SER A 89 2.155 -14.655 -12.648 1.00 0.00 H new ATOM 0 HA SER A 89 -0.505 -13.856 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.872 -15.766 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.020 -16.168 -12.654 1.00 0.00 H new ATOM 0 HG SER A 89 1.005 -17.072 -10.775 1.00 0.00 H new ATOM 1401 N LYS A 90 1.033 -12.707 -10.256 1.00 0.00 N ATOM 1402 CA LYS A 90 0.933 -11.882 -9.063 1.00 0.00 C ATOM 1403 C LYS A 90 0.116 -10.629 -9.382 1.00 0.00 C ATOM 1404 O LYS A 90 -0.490 -10.035 -8.491 1.00 0.00 O ATOM 1405 CB LYS A 90 2.324 -11.584 -8.499 1.00 0.00 C ATOM 1406 CG LYS A 90 2.887 -12.796 -7.757 1.00 0.00 C ATOM 1407 CD LYS A 90 3.312 -13.891 -8.739 1.00 0.00 C ATOM 1408 CE LYS A 90 4.312 -14.851 -8.090 1.00 0.00 C ATOM 1409 NZ LYS A 90 5.123 -15.532 -9.124 1.00 0.00 N ATOM 0 H LYS A 90 1.975 -12.793 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 90 0.403 -12.415 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.997 -11.305 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.271 -10.731 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.742 -12.492 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.136 -13.189 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.435 -14.445 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.759 -13.438 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.964 -14.302 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.780 -15.590 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.796 -16.179 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.498 -16.072 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.646 -14.824 -9.677 1.00 0.00 H new ATOM 1423 N ILE A 91 0.124 -10.264 -10.656 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.609 -9.092 -11.103 1.00 0.00 C ATOM 1425 C ILE A 91 -1.488 -9.472 -12.297 1.00 0.00 C ATOM 1426 O ILE A 91 -2.596 -8.956 -12.445 1.00 0.00 O ATOM 1427 CB ILE A 91 0.352 -7.937 -11.390 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.636 -7.817 -12.888 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.639 -8.077 -10.572 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.529 -6.611 -13.184 1.00 0.00 C ATOM 0 H ILE A 91 0.627 -10.759 -11.393 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.274 -8.735 -10.317 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.129 -7.009 -11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.119 -8.727 -13.244 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.303 -7.721 -13.433 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.304 -7.243 -10.795 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.397 -8.074 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.133 -9.014 -10.829 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.715 -6.550 -14.256 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.033 -5.700 -12.849 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.477 -6.722 -12.657 1.00 0.00 H new ATOM 1442 N THR A 92 -0.962 -10.368 -13.117 1.00 0.00 N ATOM 1443 CA THR A 92 -1.684 -10.821 -14.294 1.00 0.00 C ATOM 1444 C THR A 92 -3.192 -10.804 -14.032 1.00 0.00 C ATOM 1445 O THR A 92 -3.957 -10.255 -14.824 1.00 0.00 O ATOM 1446 CB THR A 92 -1.150 -12.203 -14.674 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.071 -12.165 -16.097 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.154 -13.321 -14.385 1.00 0.00 C ATOM 0 H THR A 92 -0.044 -10.793 -12.990 1.00 0.00 H new ATOM 0 HA THR A 92 -1.523 -10.151 -15.139 1.00 0.00 H new ATOM 0 HB THR A 92 -0.226 -12.397 -14.129 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.732 -13.022 -16.429 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.724 -14.280 -14.674 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.388 -13.334 -13.320 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.067 -13.147 -14.955 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.574 -11.413 -12.918 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.976 -11.474 -12.543 1.00 0.00 C ATOM 1458 C LYS A 93 -5.110 -11.195 -11.045 1.00 0.00 C ATOM 1459 O LYS A 93 -4.755 -12.036 -10.219 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.589 -12.807 -12.978 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.326 -12.661 -14.312 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.001 -13.827 -15.248 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.260 -14.628 -15.584 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.900 -15.947 -16.150 1.00 0.00 N ATOM 0 H LYS A 93 -2.937 -11.868 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.544 -10.703 -13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.805 -13.559 -13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.280 -13.161 -12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.401 -12.620 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.045 -11.720 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.552 -13.447 -16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.265 -14.480 -14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.862 -14.763 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.871 -14.074 -16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.766 -16.478 -16.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.344 -15.812 -17.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.336 -16.480 -15.457 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.639 -9.982 -10.731 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.825 -9.583 -9.347 1.00 0.00 C ATOM 1480 C PRO A 94 -7.022 -10.304 -8.724 1.00 0.00 C ATOM 1481 O PRO A 94 -7.490 -11.311 -9.254 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.000 -8.073 -9.392 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.368 -7.740 -10.829 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.072 -8.963 -11.683 1.00 0.00 C ATOM 0 HA PRO A 94 -4.980 -9.854 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.781 -7.749 -8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.083 -7.564 -9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.422 -7.471 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.795 -6.882 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.956 -9.285 -12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.296 -8.754 -12.420 1.00 0.00 H new ATOM 1492 N SER A 95 -7.485 -9.761 -7.607 1.00 0.00 N ATOM 1493 CA SER A 95 -8.619 -10.340 -6.907 1.00 0.00 C ATOM 1494 C SER A 95 -9.859 -10.311 -7.804 1.00 0.00 C ATOM 1495 O SER A 95 -9.829 -9.737 -8.891 1.00 0.00 O ATOM 1496 CB SER A 95 -8.894 -9.598 -5.597 1.00 0.00 C ATOM 1497 OG SER A 95 -8.962 -8.187 -5.786 1.00 0.00 O ATOM 0 H SER A 95 -7.095 -8.926 -7.170 1.00 0.00 H new ATOM 0 HA SER A 95 -8.379 -11.375 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.832 -9.952 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.109 -9.830 -4.877 1.00 0.00 H new ATOM 0 HG SER A 95 -9.141 -7.750 -4.927 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.918 -10.938 -7.315 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.165 -10.991 -8.058 1.00 0.00 C ATOM 1505 C GLU A 96 -13.332 -11.299 -7.117 1.00 0.00 C ATOM 1506 O GLU A 96 -14.286 -10.529 -7.034 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.087 -12.019 -9.189 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.128 -11.726 -10.269 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.976 -12.966 -10.564 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.910 -13.215 -9.771 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -13.672 -13.634 -11.574 1.00 0.00 O ATOM 0 H GLU A 96 -10.938 -11.414 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.337 -10.014 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.089 -12.007 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.246 -13.020 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.773 -10.909 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.629 -11.397 -11.180 1.00 0.00 H new ATOM 1518 N SER A 97 -13.215 -12.428 -6.433 1.00 0.00 N ATOM 1519 CA SER A 97 -14.249 -12.847 -5.500 1.00 0.00 C ATOM 1520 C SER A 97 -14.605 -11.694 -4.562 1.00 0.00 C ATOM 1521 O SER A 97 -13.752 -10.875 -4.225 1.00 0.00 O ATOM 1522 CB SER A 97 -13.800 -14.068 -4.695 1.00 0.00 C ATOM 1523 OG SER A 97 -14.906 -14.786 -4.154 1.00 0.00 O ATOM 0 H SER A 97 -12.422 -13.065 -6.506 1.00 0.00 H new ATOM 0 HA SER A 97 -15.134 -13.127 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.216 -14.730 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.145 -13.748 -3.885 1.00 0.00 H new ATOM 0 HG SER A 97 -14.578 -15.559 -3.649 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.870 -11.666 -4.165 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.350 -10.627 -3.271 1.00 0.00 C ATOM 1531 C ILE A 98 -17.647 -11.092 -2.606 1.00 0.00 C ATOM 1532 O ILE A 98 -18.448 -11.793 -3.221 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.484 -9.298 -4.018 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -16.282 -8.114 -3.070 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -17.821 -9.218 -4.758 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -14.935 -7.435 -3.321 1.00 0.00 C ATOM 0 H ILE A 98 -16.576 -12.346 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.629 -10.447 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.696 -9.247 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.088 -7.393 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.333 -8.458 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.891 -8.264 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.887 -10.033 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -18.639 -9.300 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.816 -6.597 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -14.130 -8.152 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.897 -7.071 -4.348 1.00 0.00 H new ATOM 1548 N ILE A 99 -17.814 -10.683 -1.357 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.000 -11.048 -0.602 1.00 0.00 C ATOM 1550 C ILE A 99 -20.246 -10.733 -1.431 1.00 0.00 C ATOM 1551 O ILE A 99 -20.171 -10.003 -2.418 1.00 0.00 O ATOM 1552 CB ILE A 99 -18.990 -10.375 0.773 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.952 -11.075 1.734 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.288 -8.879 0.652 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.328 -11.221 3.124 1.00 0.00 C ATOM 0 H ILE A 99 -17.147 -10.102 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.010 -12.120 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.989 -10.472 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.879 -10.506 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.211 -12.059 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.275 -8.424 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.531 -8.407 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.271 -8.739 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.032 -11.722 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -18.414 -11.811 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.092 -10.234 3.522 1.00 0.00 H new ATOM 1567 N THR A 100 -21.364 -11.299 -1.000 1.00 0.00 N ATOM 1568 CA THR A 100 -22.625 -11.088 -1.693 1.00 0.00 C ATOM 1569 C THR A 100 -23.743 -10.808 -0.688 1.00 0.00 C ATOM 1570 O THR A 100 -23.619 -11.134 0.493 1.00 0.00 O ATOM 1571 CB THR A 100 -22.890 -12.309 -2.574 1.00 0.00 C ATOM 1572 OG1 THR A 100 -24.098 -11.986 -3.259 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.244 -13.554 -1.759 1.00 0.00 C ATOM 0 H THR A 100 -21.423 -11.903 -0.180 1.00 0.00 H new ATOM 0 HA THR A 100 -22.582 -10.210 -2.337 1.00 0.00 H new ATOM 0 HB THR A 100 -22.011 -12.514 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 100 -24.343 -12.724 -3.855 1.00 0.00 H new ATOM 0 HG21 THR A 100 -23.422 -14.392 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 100 -22.419 -13.797 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.143 -13.362 -1.173 1.00 0.00 H new ATOM 1581 N THR A 101 -24.812 -10.209 -1.192 1.00 0.00 N ATOM 1582 CA THR A 101 -25.953 -9.883 -0.353 1.00 0.00 C ATOM 1583 C THR A 101 -27.041 -10.948 -0.494 1.00 0.00 C ATOM 1584 O THR A 101 -27.330 -11.404 -1.600 1.00 0.00 O ATOM 1585 CB THR A 101 -26.426 -8.477 -0.725 1.00 0.00 C ATOM 1586 OG1 THR A 101 -27.459 -8.197 0.216 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.136 -8.438 -2.079 1.00 0.00 C ATOM 0 H THR A 101 -24.912 -9.941 -2.171 1.00 0.00 H new ATOM 0 HA THR A 101 -25.680 -9.881 0.702 1.00 0.00 H new ATOM 0 HB THR A 101 -25.572 -7.800 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.821 -7.302 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 101 -27.451 -7.417 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.454 -8.780 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.010 -9.089 -2.051 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.615 -11.316 0.642 1.00 0.00 N ATOM 1596 CA ILE A 102 -28.666 -12.321 0.659 1.00 0.00 C ATOM 1597 C ILE A 102 -29.996 -11.654 1.018 1.00 0.00 C ATOM 1598 O ILE A 102 -31.056 -12.102 0.583 1.00 0.00 O ATOM 1599 CB ILE A 102 -28.287 -13.477 1.586 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -29.495 -14.371 1.868 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -27.644 -12.959 2.874 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -29.052 -15.745 2.378 1.00 0.00 C ATOM 0 H ILE A 102 -27.373 -10.937 1.557 1.00 0.00 H new ATOM 0 HA ILE A 102 -28.787 -12.764 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 102 -27.543 -14.091 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -30.140 -13.895 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -30.085 -14.489 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -27.384 -13.801 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.742 -12.397 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -28.347 -12.309 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -29.930 -16.362 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -28.427 -16.228 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -28.483 -15.625 3.300 1.00 0.00 H new ATOM 1614 N ASP A 103 -29.897 -10.597 1.809 1.00 0.00 N ATOM 1615 CA ASP A 103 -31.079 -9.865 2.232 1.00 0.00 C ATOM 1616 C ASP A 103 -31.831 -9.363 0.997 1.00 0.00 C ATOM 1617 O ASP A 103 -32.957 -9.785 0.739 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.700 -8.650 3.081 1.00 0.00 C ATOM 1619 CG ASP A 103 -29.575 -8.890 4.090 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.782 -9.747 4.976 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -28.534 -8.213 3.952 1.00 0.00 O ATOM 0 H ASP A 103 -29.016 -10.229 2.169 1.00 0.00 H new ATOM 0 HA ASP A 103 -31.699 -10.538 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -30.404 -7.839 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.585 -8.312 3.620 1.00 0.00 H new ATOM 1626 N SER A 104 -31.179 -8.468 0.269 1.00 0.00 N ATOM 1627 CA SER A 104 -31.773 -7.903 -0.931 1.00 0.00 C ATOM 1628 C SER A 104 -32.311 -9.025 -1.823 1.00 0.00 C ATOM 1629 O SER A 104 -31.572 -9.931 -2.200 1.00 0.00 O ATOM 1630 CB SER A 104 -30.759 -7.054 -1.699 1.00 0.00 C ATOM 1631 OG SER A 104 -31.314 -5.810 -2.116 1.00 0.00 O ATOM 0 H SER A 104 -30.245 -8.120 0.487 1.00 0.00 H new ATOM 0 HA SER A 104 -32.597 -7.255 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 104 -29.889 -6.870 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 104 -30.410 -7.606 -2.571 1.00 0.00 H new ATOM 0 HG SER A 104 -30.636 -5.296 -2.601 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.131 5.288 -17.617 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.761 7.070 -18.788 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.949 4.913 -20.826 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.606 3.312 -16.437 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.170 5.822 -14.404 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.751 5.865 -19.417 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.907 6.517 -19.734 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.065 6.598 -21.198 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.951 6.057 -21.785 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.130 5.614 -20.680 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.634 5.934 -23.274 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.285 7.142 -21.917 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.464 6.187 -21.817 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.041 4.732 -21.870 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.020 4.158 -22.974 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.772 4.139 -20.810 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.603 4.350 -18.437 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.235 4.310 -19.793 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.037 3.509 -19.989 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.702 3.004 -18.748 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.651 3.559 -17.810 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.381 3.205 -21.338 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.808 1.965 -18.397 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.501 1.756 -18.775 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.518 4.691 -15.816 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.467 3.832 -15.515 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.364 3.561 -14.065 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.380 4.278 -13.500 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.067 4.996 -14.582 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.321 2.617 -13.416 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.729 4.350 -12.144 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.769 4.461 -11.151 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.675 6.219 -16.759 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.935 6.390 -15.394 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.068 7.251 -15.180 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.475 7.633 -16.403 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.654 6.951 -17.396 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.716 7.621 -13.852 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.523 8.673 -16.710 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.876 8.025 -16.866 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.586 8.486 -18.117 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.887 8.834 -19.089 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.841 8.484 -18.136 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.563 5.842 -23.837 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.018 5.051 -23.443 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.095 6.821 -23.606 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.143 3.187 -22.117 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.886 2.235 -21.292 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.646 3.976 -21.567 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.062 1.824 -14.117 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.741 2.178 -12.511 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.425 3.184 -13.162 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.593 6.800 -13.146 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.778 7.811 -14.006 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.241 8.517 -13.453 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.958 0.888 -18.401 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.009 2.458 -19.448 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.071 4.515 -10.105 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.712 4.494 -11.416 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.161 6.389 -22.631 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.999 6.372 -20.886 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.043 7.315 -22.966 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.560 8.107 -21.490 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.490 8.255 -15.995 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.757 6.942 -16.895 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.260 9.205 -17.624 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.557 9.412 -15.910 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.591 7.650 -19.163 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.546 4.825 -21.824 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.827 2.657 -16.075 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.455 6.039 -13.385 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.218 1.213 -17.722 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.782 4.318 -11.864 1.00 0.00 H new