USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=32 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 53 GLN : amide:sc= -19! C(o=-32!,f=-33!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -13! (180deg=-7.98!) USER MOD Set 2.1: A 31 TYR OH : rot 149:sc= -1.2 USER MOD Set 2.2: A 92 THR OG1 : rot 89:sc= -1.34! USER MOD Set 3.1: A 75 SER OG : rot 104:sc= -0.766 USER MOD Set 3.2: A 105 HEM CMB :methyl -30:sc= -3.88! (180deg=-4.29!) USER MOD Set 4.1: A 30 HIS : no HD1:sc= -0.042 X(o=0.24,f=0) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 176:sc= 0.286 (180deg=0) USER MOD Set 5.1: A 25 THR OG1 : rot -51:sc= 1.48 USER MOD Set 5.2: A 37 THR OG1 : rot 48:sc= 1.01 USER MOD Set 6.1: A 19 HIS :FLIP no HD1:sc= -29.3! C(o=-32!,f=-31!) USER MOD Set 6.2: A 24 SER OG : rot -162:sc= -1.61! USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.179 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -151:sc= 1.59 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.33 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.23! C(o=-5.4!,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= -0.634 K(o=-0.63,f=-4.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 19:sc= 0.0426 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -18.9! C(o=-19!,f=-27!) USER MOD Single : A 59 THR OG1 : rot -25:sc= -1.46! USER MOD Single : A 61 ASN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 68 SER OG : rot -170:sc= -0.0979 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= -8.31! C(o=-10!,f=-8.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -60:sc= 1.08 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -4.46! (180deg=-4.46!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= -0.0064 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.165 3.885 -31.705 1.00 0.00 N ATOM 2 CA ALA A 1 32.814 4.169 -31.255 1.00 0.00 C ATOM 3 C ALA A 1 31.989 2.881 -31.289 1.00 0.00 C ATOM 4 O ALA A 1 32.481 1.835 -31.709 1.00 0.00 O ATOM 5 CB ALA A 1 32.207 5.272 -32.123 1.00 0.00 C ATOM 0 H1 ALA A 1 34.835 4.071 -30.931 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.233 2.887 -31.990 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.396 4.493 -32.516 1.00 0.00 H new ATOM 0 HA ALA A 1 32.821 4.530 -30.227 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.193 5.485 -31.785 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.813 6.174 -32.042 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.182 4.945 -33.162 1.00 0.00 H new ATOM 11 N GLU A 2 30.747 2.999 -30.840 1.00 0.00 N ATOM 12 CA GLU A 2 29.849 1.856 -30.814 1.00 0.00 C ATOM 13 C GLU A 2 28.406 2.320 -30.611 1.00 0.00 C ATOM 14 O GLU A 2 28.151 3.511 -30.436 1.00 0.00 O ATOM 15 CB GLU A 2 30.261 0.860 -29.728 1.00 0.00 C ATOM 16 CG GLU A 2 30.151 -0.580 -30.236 1.00 0.00 C ATOM 17 CD GLU A 2 29.402 -1.458 -29.231 1.00 0.00 C ATOM 18 OE1 GLU A 2 29.560 -1.198 -28.020 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.687 -2.371 -29.700 1.00 0.00 O ATOM 0 H GLU A 2 30.342 3.868 -30.492 1.00 0.00 H new ATOM 0 HA GLU A 2 29.915 1.345 -31.775 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.285 1.062 -29.414 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.627 0.990 -28.851 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.632 -0.593 -31.194 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.148 -0.986 -30.408 1.00 0.00 H new ATOM 26 N GLU A 3 27.497 1.357 -30.642 1.00 0.00 N ATOM 27 CA GLU A 3 26.086 1.652 -30.464 1.00 0.00 C ATOM 28 C GLU A 3 25.341 0.409 -29.972 1.00 0.00 C ATOM 29 O GLU A 3 25.848 -0.706 -30.083 1.00 0.00 O ATOM 30 CB GLU A 3 25.469 2.183 -31.759 1.00 0.00 C ATOM 31 CG GLU A 3 25.447 1.101 -32.840 1.00 0.00 C ATOM 32 CD GLU A 3 24.718 1.590 -34.093 1.00 0.00 C ATOM 33 OE1 GLU A 3 23.518 1.915 -33.960 1.00 0.00 O ATOM 34 OE2 GLU A 3 25.376 1.629 -35.155 1.00 0.00 O ATOM 0 H GLU A 3 27.711 0.370 -30.788 1.00 0.00 H new ATOM 0 HA GLU A 3 25.991 2.432 -29.708 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.454 2.530 -31.567 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.039 3.043 -32.112 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.468 0.818 -33.097 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.956 0.208 -32.455 1.00 0.00 H new ATOM 41 N SER A 4 24.152 0.643 -29.438 1.00 0.00 N ATOM 42 CA SER A 4 23.333 -0.443 -28.929 1.00 0.00 C ATOM 43 C SER A 4 22.001 0.105 -28.409 1.00 0.00 C ATOM 44 O SER A 4 21.902 1.281 -28.065 1.00 0.00 O ATOM 45 CB SER A 4 24.061 -1.208 -27.820 1.00 0.00 C ATOM 46 OG SER A 4 24.234 -0.414 -26.650 1.00 0.00 O ATOM 0 H SER A 4 23.736 1.570 -29.347 1.00 0.00 H new ATOM 0 HA SER A 4 23.139 -1.137 -29.746 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.497 -2.106 -27.569 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.035 -1.535 -28.184 1.00 0.00 H new ATOM 0 HG SER A 4 24.700 -0.938 -25.965 1.00 0.00 H new ATOM 52 N SER A 5 21.011 -0.775 -28.370 1.00 0.00 N ATOM 53 CA SER A 5 19.691 -0.395 -27.899 1.00 0.00 C ATOM 54 C SER A 5 18.713 -1.554 -28.094 1.00 0.00 C ATOM 55 O SER A 5 18.969 -2.464 -28.881 1.00 0.00 O ATOM 56 CB SER A 5 19.186 0.854 -28.623 1.00 0.00 C ATOM 57 OG SER A 5 18.877 1.909 -27.717 1.00 0.00 O ATOM 0 H SER A 5 21.097 -1.750 -28.657 1.00 0.00 H new ATOM 0 HA SER A 5 19.761 -0.162 -26.837 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.943 1.194 -29.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.298 0.603 -29.203 1.00 0.00 H new ATOM 0 HG SER A 5 18.560 2.689 -28.219 1.00 0.00 H new ATOM 63 N LYS A 6 17.609 -1.485 -27.364 1.00 0.00 N ATOM 64 CA LYS A 6 16.590 -2.518 -27.446 1.00 0.00 C ATOM 65 C LYS A 6 15.361 -2.081 -26.648 1.00 0.00 C ATOM 66 O LYS A 6 15.386 -1.049 -25.978 1.00 0.00 O ATOM 67 CB LYS A 6 17.159 -3.868 -27.011 1.00 0.00 C ATOM 68 CG LYS A 6 17.441 -3.884 -25.507 1.00 0.00 C ATOM 69 CD LYS A 6 18.942 -4.008 -25.232 1.00 0.00 C ATOM 70 CE LYS A 6 19.404 -2.952 -24.226 1.00 0.00 C ATOM 71 NZ LYS A 6 20.859 -3.072 -23.982 1.00 0.00 N ATOM 0 H LYS A 6 17.398 -0.729 -26.713 1.00 0.00 H new ATOM 0 HA LYS A 6 16.267 -2.653 -28.478 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.455 -4.661 -27.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.078 -4.073 -27.559 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.058 -2.970 -25.052 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.913 -4.717 -25.043 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.164 -5.003 -24.847 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.497 -3.895 -26.164 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.173 -1.956 -24.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.861 -3.072 -23.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.157 -2.348 -23.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.070 -4.017 -23.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.373 -2.935 -24.876 1.00 0.00 H new ATOM 85 N ALA A 7 14.314 -2.887 -26.744 1.00 0.00 N ATOM 86 CA ALA A 7 13.078 -2.597 -26.039 1.00 0.00 C ATOM 87 C ALA A 7 12.979 -3.492 -24.801 1.00 0.00 C ATOM 88 O ALA A 7 13.209 -4.697 -24.882 1.00 0.00 O ATOM 89 CB ALA A 7 11.892 -2.783 -26.987 1.00 0.00 C ATOM 0 H ALA A 7 14.297 -3.742 -27.300 1.00 0.00 H new ATOM 0 HA ALA A 7 13.065 -1.561 -25.700 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.965 -2.565 -26.457 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.994 -2.105 -27.834 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.871 -3.812 -27.346 1.00 0.00 H new ATOM 95 N VAL A 8 12.638 -2.866 -23.684 1.00 0.00 N ATOM 96 CA VAL A 8 12.507 -3.589 -22.431 1.00 0.00 C ATOM 97 C VAL A 8 11.904 -4.968 -22.704 1.00 0.00 C ATOM 98 O VAL A 8 12.593 -5.983 -22.602 1.00 0.00 O ATOM 99 CB VAL A 8 11.689 -2.766 -21.433 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.826 -1.730 -22.157 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.832 -3.673 -20.548 1.00 0.00 C ATOM 0 H VAL A 8 12.448 -1.866 -23.621 1.00 0.00 H new ATOM 0 HA VAL A 8 13.486 -3.745 -21.977 1.00 0.00 H new ATOM 0 HB VAL A 8 12.385 -2.230 -20.788 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.254 -1.158 -21.426 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.467 -1.055 -22.725 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.141 -2.238 -22.836 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.261 -3.064 -19.848 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.147 -4.248 -21.171 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.477 -4.355 -19.993 1.00 0.00 H new ATOM 111 N LYS A 9 10.624 -4.962 -23.048 1.00 0.00 N ATOM 112 CA LYS A 9 9.921 -6.200 -23.337 1.00 0.00 C ATOM 113 C LYS A 9 9.461 -6.838 -22.026 1.00 0.00 C ATOM 114 O LYS A 9 8.297 -7.211 -21.887 1.00 0.00 O ATOM 115 CB LYS A 9 10.788 -7.120 -24.199 1.00 0.00 C ATOM 116 CG LYS A 9 10.001 -7.651 -25.398 1.00 0.00 C ATOM 117 CD LYS A 9 8.946 -8.668 -24.956 1.00 0.00 C ATOM 118 CE LYS A 9 8.444 -9.489 -26.144 1.00 0.00 C ATOM 119 NZ LYS A 9 7.020 -9.188 -26.417 1.00 0.00 N ATOM 0 H LYS A 9 10.056 -4.119 -23.133 1.00 0.00 H new ATOM 0 HA LYS A 9 9.026 -6.001 -23.926 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.666 -6.576 -24.548 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.148 -7.955 -23.598 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.518 -6.823 -25.916 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.684 -8.116 -26.109 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.370 -9.333 -24.203 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.109 -8.149 -24.488 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.044 -9.268 -27.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.564 -10.552 -25.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.695 -9.754 -27.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.449 -9.422 -25.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.915 -8.177 -26.637 1.00 0.00 H new ATOM 133 N TYR A 10 10.400 -6.946 -21.095 1.00 0.00 N ATOM 134 CA TYR A 10 10.105 -7.533 -19.800 1.00 0.00 C ATOM 135 C TYR A 10 10.730 -6.711 -18.670 1.00 0.00 C ATOM 136 O TYR A 10 11.927 -6.429 -18.694 1.00 0.00 O ATOM 137 CB TYR A 10 10.738 -8.926 -19.813 1.00 0.00 C ATOM 138 CG TYR A 10 11.554 -9.225 -21.072 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.851 -8.765 -21.180 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.994 -9.956 -22.099 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.618 -9.047 -22.365 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.761 -10.238 -23.285 1.00 0.00 C ATOM 143 CZ TYR A 10 13.036 -9.769 -23.360 1.00 0.00 C ATOM 144 OH TYR A 10 13.761 -10.036 -24.479 1.00 0.00 O ATOM 0 H TYR A 10 11.365 -6.637 -21.213 1.00 0.00 H new ATOM 0 HA TYR A 10 9.029 -7.565 -19.630 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.383 -9.029 -18.941 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.950 -9.673 -19.717 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.290 -8.194 -20.376 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.980 -10.317 -22.014 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.634 -8.693 -22.462 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.334 -10.809 -24.096 1.00 0.00 H new ATOM 0 HH TYR A 10 13.218 -10.561 -25.103 1.00 0.00 H new ATOM 154 N TYR A 11 9.892 -6.353 -17.708 1.00 0.00 N ATOM 155 CA TYR A 11 10.348 -5.571 -16.572 1.00 0.00 C ATOM 156 C TYR A 11 9.863 -6.180 -15.256 1.00 0.00 C ATOM 157 O TYR A 11 9.042 -7.095 -15.258 1.00 0.00 O ATOM 158 CB TYR A 11 9.725 -4.183 -16.739 1.00 0.00 C ATOM 159 CG TYR A 11 10.741 -3.074 -17.016 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.018 -3.161 -16.502 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.380 -1.981 -17.781 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.975 -2.117 -16.762 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.337 -0.938 -18.043 1.00 0.00 C ATOM 164 CZ TYR A 11 12.586 -1.056 -17.519 1.00 0.00 C ATOM 165 OH TYR A 11 13.489 -0.071 -17.766 1.00 0.00 O ATOM 0 H TYR A 11 8.900 -6.590 -17.692 1.00 0.00 H new ATOM 0 HA TYR A 11 11.437 -5.540 -16.540 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.006 -4.215 -17.557 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.169 -3.935 -15.835 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.301 -4.014 -15.903 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.380 -1.909 -18.182 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.978 -2.175 -16.365 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.069 -0.081 -18.643 1.00 0.00 H new ATOM 0 HH TYR A 11 13.019 0.780 -17.888 1.00 0.00 H new ATOM 175 N THR A 12 10.392 -5.647 -14.165 1.00 0.00 N ATOM 176 CA THR A 12 10.023 -6.127 -12.843 1.00 0.00 C ATOM 177 C THR A 12 9.133 -5.104 -12.134 1.00 0.00 C ATOM 178 O THR A 12 9.156 -3.921 -12.464 1.00 0.00 O ATOM 179 CB THR A 12 11.309 -6.447 -12.079 1.00 0.00 C ATOM 180 OG1 THR A 12 11.939 -5.178 -11.914 1.00 0.00 O ATOM 181 CG2 THR A 12 12.305 -7.248 -12.920 1.00 0.00 C ATOM 0 H THR A 12 11.073 -4.888 -14.169 1.00 0.00 H new ATOM 0 HA THR A 12 9.430 -7.040 -12.905 1.00 0.00 H new ATOM 0 HB THR A 12 11.065 -7.004 -11.175 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.781 -5.292 -11.426 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.200 -7.449 -12.331 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.850 -8.192 -13.222 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.575 -6.675 -13.807 1.00 0.00 H new ATOM 189 N LEU A 13 8.368 -5.600 -11.171 1.00 0.00 N ATOM 190 CA LEU A 13 7.472 -4.745 -10.413 1.00 0.00 C ATOM 191 C LEU A 13 8.222 -3.485 -9.980 1.00 0.00 C ATOM 192 O LEU A 13 7.664 -2.389 -9.992 1.00 0.00 O ATOM 193 CB LEU A 13 6.848 -5.520 -9.251 1.00 0.00 C ATOM 194 CG LEU A 13 5.402 -5.981 -9.450 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.832 -6.572 -8.160 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.535 -4.844 -9.993 1.00 0.00 C ATOM 0 H LEU A 13 8.351 -6.583 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 13 6.637 -4.421 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.464 -6.397 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.889 -4.894 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 13 5.396 -6.775 -10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.804 -6.891 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.433 -7.429 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.853 -5.817 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.512 -5.198 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.543 -4.012 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.931 -4.511 -10.952 1.00 0.00 H new ATOM 208 N GLU A 14 9.478 -3.681 -9.605 1.00 0.00 N ATOM 209 CA GLU A 14 10.311 -2.574 -9.168 1.00 0.00 C ATOM 210 C GLU A 14 10.602 -1.635 -10.339 1.00 0.00 C ATOM 211 O GLU A 14 10.354 -0.433 -10.252 1.00 0.00 O ATOM 212 CB GLU A 14 11.609 -3.080 -8.538 1.00 0.00 C ATOM 213 CG GLU A 14 11.815 -2.477 -7.145 1.00 0.00 C ATOM 214 CD GLU A 14 13.194 -2.839 -6.588 1.00 0.00 C ATOM 215 OE1 GLU A 14 14.183 -2.560 -7.299 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.225 -3.386 -5.465 1.00 0.00 O ATOM 0 H GLU A 14 9.939 -4.591 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 14 9.768 -2.016 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.583 -4.167 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.453 -2.822 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.713 -1.393 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.040 -2.839 -6.470 1.00 0.00 H new ATOM 223 N GLU A 15 11.125 -2.216 -11.409 1.00 0.00 N ATOM 224 CA GLU A 15 11.452 -1.445 -12.597 1.00 0.00 C ATOM 225 C GLU A 15 10.301 -0.502 -12.950 1.00 0.00 C ATOM 226 O GLU A 15 10.529 0.620 -13.400 1.00 0.00 O ATOM 227 CB GLU A 15 11.788 -2.365 -13.772 1.00 0.00 C ATOM 228 CG GLU A 15 12.999 -3.244 -13.452 1.00 0.00 C ATOM 229 CD GLU A 15 14.285 -2.628 -14.008 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.402 -1.387 -13.923 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.121 -3.415 -14.504 1.00 0.00 O ATOM 0 H GLU A 15 11.331 -3.213 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 15 12.336 -0.844 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.928 -2.994 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.993 -1.767 -14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.088 -3.368 -12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.854 -4.238 -13.876 1.00 0.00 H new ATOM 238 N ILE A 16 9.089 -0.990 -12.732 1.00 0.00 N ATOM 239 CA ILE A 16 7.903 -0.203 -13.023 1.00 0.00 C ATOM 240 C ILE A 16 7.613 0.729 -11.844 1.00 0.00 C ATOM 241 O ILE A 16 7.118 1.839 -12.035 1.00 0.00 O ATOM 242 CB ILE A 16 6.730 -1.118 -13.385 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.189 -2.270 -14.281 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.589 -0.320 -14.019 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.698 -3.615 -13.739 1.00 0.00 C ATOM 0 H ILE A 16 8.903 -1.920 -12.357 1.00 0.00 H new ATOM 0 HA ILE A 16 8.069 0.428 -13.896 1.00 0.00 H new ATOM 0 HB ILE A 16 6.344 -1.559 -12.466 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.811 -2.122 -15.293 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.277 -2.275 -14.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.768 -0.993 -14.267 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.239 0.436 -13.316 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.946 0.167 -14.927 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.038 -4.417 -14.394 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.097 -3.771 -12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.609 -3.616 -13.700 1.00 0.00 H new ATOM 257 N GLN A 17 7.934 0.244 -10.655 1.00 0.00 N ATOM 258 CA GLN A 17 7.715 1.021 -9.446 1.00 0.00 C ATOM 259 C GLN A 17 8.595 2.272 -9.454 1.00 0.00 C ATOM 260 O GLN A 17 8.159 3.345 -9.037 1.00 0.00 O ATOM 261 CB GLN A 17 7.975 0.176 -8.197 1.00 0.00 C ATOM 262 CG GLN A 17 7.024 0.568 -7.063 1.00 0.00 C ATOM 263 CD GLN A 17 7.742 1.427 -6.020 1.00 0.00 C ATOM 264 OE1 GLN A 17 7.738 2.647 -6.073 1.00 0.00 O ATOM 265 NE2 GLN A 17 8.356 0.726 -5.070 1.00 0.00 N ATOM 0 H GLN A 17 8.344 -0.677 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 17 6.671 1.334 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.848 -0.880 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.007 0.307 -7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.174 1.117 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.627 -0.330 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.320 -0.293 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.862 1.208 -4.327 1.00 0.00 H new ATOM 274 N LYS A 18 9.817 2.096 -9.933 1.00 0.00 N ATOM 275 CA LYS A 18 10.762 3.198 -9.999 1.00 0.00 C ATOM 276 C LYS A 18 10.246 4.245 -10.990 1.00 0.00 C ATOM 277 O LYS A 18 10.530 5.433 -10.844 1.00 0.00 O ATOM 278 CB LYS A 18 12.165 2.683 -10.324 1.00 0.00 C ATOM 279 CG LYS A 18 12.609 1.626 -9.310 1.00 0.00 C ATOM 280 CD LYS A 18 14.085 1.269 -9.501 1.00 0.00 C ATOM 281 CE LYS A 18 14.956 1.964 -8.452 1.00 0.00 C ATOM 282 NZ LYS A 18 16.380 1.603 -8.640 1.00 0.00 N ATOM 0 H LYS A 18 10.175 1.206 -10.280 1.00 0.00 H new ATOM 0 HA LYS A 18 10.845 3.688 -9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.177 2.257 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.871 3.514 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.449 1.998 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.997 0.731 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.214 0.189 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.408 1.563 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.835 3.045 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.631 1.677 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.958 2.083 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.493 0.574 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.691 1.899 -9.587 1.00 0.00 H new ATOM 296 N HIS A 19 9.500 3.766 -11.972 1.00 0.00 N ATOM 297 CA HIS A 19 8.943 4.646 -12.986 1.00 0.00 C ATOM 298 C HIS A 19 7.524 5.058 -12.585 1.00 0.00 C ATOM 299 O HIS A 19 6.554 4.406 -12.967 1.00 0.00 O ATOM 300 CB HIS A 19 9.002 3.991 -14.366 1.00 0.00 C ATOM 301 CG HIS A 19 10.367 4.036 -15.011 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.578 3.595 -14.565 1.00 0.00 N flip ATOM 303 CD2 HIS A 19 10.589 4.589 -16.260 1.00 0.00 C flip ATOM 304 CE1 HIS A 19 12.489 3.861 -15.492 1.00 0.00 C flip ATOM 305 NE2 HIS A 19 11.879 4.478 -16.544 1.00 0.00 N flip ATOM 0 H HIS A 19 9.267 2.780 -12.088 1.00 0.00 H new ATOM 0 HA HIS A 19 9.542 5.554 -13.053 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.688 2.951 -14.277 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.285 4.485 -15.022 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.838 5.035 -16.896 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.541 3.627 -15.425 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.335 4.798 -17.399 1.00 0.00 H new ATOM 314 N ASN A 20 7.451 6.138 -11.821 1.00 0.00 N ATOM 315 CA ASN A 20 6.167 6.644 -11.364 1.00 0.00 C ATOM 316 C ASN A 20 6.168 8.172 -11.445 1.00 0.00 C ATOM 317 O ASN A 20 5.279 8.827 -10.904 1.00 0.00 O ATOM 318 CB ASN A 20 5.905 6.247 -9.910 1.00 0.00 C ATOM 319 CG ASN A 20 4.864 7.170 -9.270 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.699 7.199 -9.910 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.105 7.813 -8.261 1.00 0.00 N flip ATOM 0 H ASN A 20 8.259 6.676 -11.507 1.00 0.00 H new ATOM 0 HA ASN A 20 5.391 6.218 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.557 5.215 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.835 6.293 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.022 7.744 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.390 8.419 -7.859 1.00 0.00 H new ATOM 328 N ASN A 21 7.177 8.697 -12.126 1.00 0.00 N ATOM 329 CA ASN A 21 7.306 10.135 -12.285 1.00 0.00 C ATOM 330 C ASN A 21 6.944 10.520 -13.720 1.00 0.00 C ATOM 331 O ASN A 21 6.923 9.668 -14.608 1.00 0.00 O ATOM 332 CB ASN A 21 8.742 10.591 -12.020 1.00 0.00 C ATOM 333 CG ASN A 21 8.934 10.976 -10.552 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.220 11.800 -10.001 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.933 10.338 -9.951 1.00 0.00 N ATOM 0 H ASN A 21 7.913 8.151 -12.574 1.00 0.00 H new ATOM 0 HA ASN A 21 6.638 10.615 -11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.435 9.792 -12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.980 11.443 -12.657 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.141 10.526 -8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.491 9.660 -10.470 1.00 0.00 H new ATOM 342 N SER A 22 6.668 11.802 -13.904 1.00 0.00 N ATOM 343 CA SER A 22 6.308 12.311 -15.217 1.00 0.00 C ATOM 344 C SER A 22 7.480 12.135 -16.185 1.00 0.00 C ATOM 345 O SER A 22 7.298 12.178 -17.400 1.00 0.00 O ATOM 346 CB SER A 22 5.895 13.781 -15.144 1.00 0.00 C ATOM 347 OG SER A 22 7.021 14.647 -15.032 1.00 0.00 O ATOM 0 H SER A 22 6.686 12.505 -13.165 1.00 0.00 H new ATOM 0 HA SER A 22 5.454 11.741 -15.583 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.324 14.042 -16.035 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.236 13.930 -14.289 1.00 0.00 H new ATOM 0 HG SER A 22 6.715 15.577 -14.990 1.00 0.00 H new ATOM 353 N LYS A 23 8.657 11.941 -15.609 1.00 0.00 N ATOM 354 CA LYS A 23 9.858 11.760 -16.406 1.00 0.00 C ATOM 355 C LYS A 23 9.999 10.283 -16.781 1.00 0.00 C ATOM 356 O LYS A 23 10.795 9.933 -17.651 1.00 0.00 O ATOM 357 CB LYS A 23 11.078 12.326 -15.675 1.00 0.00 C ATOM 358 CG LYS A 23 12.044 12.994 -16.656 1.00 0.00 C ATOM 359 CD LYS A 23 13.241 13.600 -15.919 1.00 0.00 C ATOM 360 CE LYS A 23 14.559 13.143 -16.548 1.00 0.00 C ATOM 361 NZ LYS A 23 15.570 14.221 -16.473 1.00 0.00 N ATOM 0 H LYS A 23 8.805 11.905 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 23 9.784 12.321 -17.337 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.755 13.050 -14.927 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.591 11.525 -15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.393 12.262 -17.384 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.522 13.773 -17.212 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.178 14.688 -15.948 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.213 13.307 -14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.926 12.255 -16.033 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.394 12.862 -17.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.458 13.894 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.224 15.058 -16.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.739 14.469 -15.477 1.00 0.00 H new ATOM 375 N SER A 24 9.211 9.458 -16.107 1.00 0.00 N ATOM 376 CA SER A 24 9.237 8.027 -16.359 1.00 0.00 C ATOM 377 C SER A 24 7.996 7.366 -15.754 1.00 0.00 C ATOM 378 O SER A 24 8.094 6.641 -14.767 1.00 0.00 O ATOM 379 CB SER A 24 10.508 7.390 -15.790 1.00 0.00 C ATOM 380 OG SER A 24 11.383 6.936 -16.818 1.00 0.00 O ATOM 0 H SER A 24 8.551 9.753 -15.387 1.00 0.00 H new ATOM 0 HA SER A 24 9.235 7.870 -17.438 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.029 8.115 -15.165 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.237 6.552 -15.148 1.00 0.00 H new ATOM 0 HG SER A 24 12.027 6.301 -16.442 1.00 0.00 H new ATOM 386 N THR A 25 6.858 7.642 -16.374 1.00 0.00 N ATOM 387 CA THR A 25 5.600 7.084 -15.908 1.00 0.00 C ATOM 388 C THR A 25 5.340 5.729 -16.570 1.00 0.00 C ATOM 389 O THR A 25 4.922 5.668 -17.725 1.00 0.00 O ATOM 390 CB THR A 25 4.499 8.112 -16.178 1.00 0.00 C ATOM 391 OG1 THR A 25 5.182 9.362 -16.178 1.00 0.00 O ATOM 392 CG2 THR A 25 3.509 8.229 -15.016 1.00 0.00 C ATOM 0 H THR A 25 6.781 8.244 -17.194 1.00 0.00 H new ATOM 0 HA THR A 25 5.627 6.888 -14.836 1.00 0.00 H new ATOM 0 HB THR A 25 3.963 7.838 -17.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.723 9.439 -15.364 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.749 8.971 -15.259 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.032 7.264 -14.846 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.040 8.535 -14.115 1.00 0.00 H new ATOM 400 N TRP A 26 5.599 4.676 -15.808 1.00 0.00 N ATOM 401 CA TRP A 26 5.399 3.326 -16.306 1.00 0.00 C ATOM 402 C TRP A 26 4.361 2.642 -15.415 1.00 0.00 C ATOM 403 O TRP A 26 4.271 2.935 -14.223 1.00 0.00 O ATOM 404 CB TRP A 26 6.726 2.564 -16.371 1.00 0.00 C ATOM 405 CG TRP A 26 7.708 3.112 -17.409 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.472 4.014 -18.373 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.099 2.754 -17.549 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.605 4.263 -19.120 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.626 3.473 -18.602 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.886 1.856 -16.809 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.960 3.367 -19.011 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.218 1.760 -17.230 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.764 2.475 -18.289 1.00 0.00 C ATOM 0 H TRP A 26 5.945 4.731 -14.850 1.00 0.00 H new ATOM 0 HA TRP A 26 5.022 3.344 -17.329 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.198 2.592 -15.389 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.522 1.517 -16.596 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.516 4.486 -18.543 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.680 4.908 -19.907 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.494 1.285 -15.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.349 3.942 -19.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.866 1.083 -16.694 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.803 2.344 -18.554 1.00 0.00 H new ATOM 424 N LEU A 27 3.603 1.744 -16.027 1.00 0.00 N ATOM 425 CA LEU A 27 2.574 1.016 -15.303 1.00 0.00 C ATOM 426 C LEU A 27 2.363 -0.350 -15.960 1.00 0.00 C ATOM 427 O LEU A 27 2.897 -0.614 -17.036 1.00 0.00 O ATOM 428 CB LEU A 27 1.297 1.853 -15.202 1.00 0.00 C ATOM 429 CG LEU A 27 0.263 1.638 -16.309 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.939 1.552 -17.679 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.602 0.410 -16.020 1.00 0.00 C ATOM 0 H LEU A 27 3.681 1.504 -17.015 1.00 0.00 H new ATOM 0 HA LEU A 27 2.889 0.831 -14.276 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.823 1.641 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.577 2.906 -15.194 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.401 2.502 -16.330 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.183 1.399 -18.449 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.477 2.479 -17.878 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.639 0.717 -17.687 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.329 0.280 -16.822 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.032 -0.475 -15.957 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.126 0.549 -15.074 1.00 0.00 H new ATOM 443 N ILE A 28 1.584 -1.181 -15.285 1.00 0.00 N ATOM 444 CA ILE A 28 1.297 -2.514 -15.790 1.00 0.00 C ATOM 445 C ILE A 28 -0.210 -2.659 -16.003 1.00 0.00 C ATOM 446 O ILE A 28 -0.997 -2.427 -15.086 1.00 0.00 O ATOM 447 CB ILE A 28 1.892 -3.577 -14.864 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.161 -3.062 -14.181 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.137 -4.885 -15.619 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.415 -3.800 -12.866 1.00 0.00 C ATOM 0 H ILE A 28 1.142 -0.958 -14.393 1.00 0.00 H new ATOM 0 HA ILE A 28 1.773 -2.666 -16.759 1.00 0.00 H new ATOM 0 HB ILE A 28 1.168 -3.790 -14.077 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.015 -3.193 -14.846 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.067 -1.993 -13.990 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.560 -5.624 -14.939 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.193 -5.257 -16.018 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.832 -4.707 -16.439 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.323 -3.414 -12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.571 -3.647 -12.194 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.533 -4.865 -13.064 1.00 0.00 H new ATOM 462 N LEU A 29 -0.569 -3.041 -17.220 1.00 0.00 N ATOM 463 CA LEU A 29 -1.969 -3.221 -17.566 1.00 0.00 C ATOM 464 C LEU A 29 -2.174 -4.626 -18.133 1.00 0.00 C ATOM 465 O LEU A 29 -1.437 -5.054 -19.021 1.00 0.00 O ATOM 466 CB LEU A 29 -2.436 -2.105 -18.503 1.00 0.00 C ATOM 467 CG LEU A 29 -3.808 -1.500 -18.195 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.458 -0.940 -19.462 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.710 -2.517 -17.492 1.00 0.00 C ATOM 0 H LEU A 29 0.086 -3.231 -17.979 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.594 -3.142 -16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.695 -1.306 -18.481 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.453 -2.496 -19.520 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.666 -0.665 -17.509 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.431 -0.516 -19.215 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.821 -0.163 -19.885 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.585 -1.741 -20.190 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.679 -2.062 -17.284 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.848 -3.387 -18.135 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.247 -2.828 -16.555 1.00 0.00 H new ATOM 481 N HIS A 30 -3.178 -5.305 -17.599 1.00 0.00 N ATOM 482 CA HIS A 30 -3.489 -6.654 -18.042 1.00 0.00 C ATOM 483 C HIS A 30 -2.391 -7.613 -17.576 1.00 0.00 C ATOM 484 O HIS A 30 -2.674 -8.615 -16.920 1.00 0.00 O ATOM 485 CB HIS A 30 -3.707 -6.693 -19.556 1.00 0.00 C ATOM 486 CG HIS A 30 -4.278 -7.996 -20.062 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.509 -8.957 -20.692 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.551 -8.486 -20.021 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.293 -9.975 -21.014 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.559 -9.681 -20.598 1.00 0.00 N ATOM 0 H HIS A 30 -3.787 -4.947 -16.863 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.425 -6.982 -17.591 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.378 -5.881 -19.837 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.756 -6.507 -20.054 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.407 -7.986 -19.592 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.984 -10.879 -21.518 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.376 -10.281 -20.712 1.00 0.00 H new ATOM 499 N TYR A 31 -1.162 -7.272 -17.933 1.00 0.00 N ATOM 500 CA TYR A 31 -0.021 -8.091 -17.560 1.00 0.00 C ATOM 501 C TYR A 31 1.272 -7.529 -18.153 1.00 0.00 C ATOM 502 O TYR A 31 2.364 -7.986 -17.816 1.00 0.00 O ATOM 503 CB TYR A 31 -0.282 -9.475 -18.156 1.00 0.00 C ATOM 504 CG TYR A 31 0.079 -10.632 -17.221 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.991 -10.439 -16.203 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.508 -11.869 -17.396 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.330 -11.528 -15.324 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.168 -12.959 -16.517 1.00 0.00 C ATOM 509 CZ TYR A 31 0.734 -12.733 -15.524 1.00 0.00 C ATOM 510 OH TYR A 31 1.056 -13.762 -14.694 1.00 0.00 O ATOM 0 H TYR A 31 -0.931 -6.440 -18.476 1.00 0.00 H new ATOM 0 HA TYR A 31 0.095 -8.118 -16.477 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.336 -9.552 -18.423 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.289 -9.576 -19.079 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.450 -9.471 -16.066 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.222 -12.020 -18.192 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.042 -11.390 -14.524 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.619 -13.932 -16.644 1.00 0.00 H new ATOM 0 HH TYR A 31 0.284 -14.358 -14.597 1.00 0.00 H new ATOM 520 N LYS A 32 1.109 -6.548 -19.027 1.00 0.00 N ATOM 521 CA LYS A 32 2.250 -5.919 -19.671 1.00 0.00 C ATOM 522 C LYS A 32 2.478 -4.538 -19.058 1.00 0.00 C ATOM 523 O LYS A 32 1.653 -4.053 -18.286 1.00 0.00 O ATOM 524 CB LYS A 32 2.063 -5.897 -21.190 1.00 0.00 C ATOM 525 CG LYS A 32 1.525 -7.236 -21.696 1.00 0.00 C ATOM 526 CD LYS A 32 0.036 -7.136 -22.032 1.00 0.00 C ATOM 527 CE LYS A 32 -0.352 -8.147 -23.112 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.807 -8.086 -23.382 1.00 0.00 N ATOM 0 H LYS A 32 0.203 -6.172 -19.305 1.00 0.00 H new ATOM 0 HA LYS A 32 3.156 -6.499 -19.494 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.374 -5.098 -21.464 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.015 -5.677 -21.674 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.081 -7.545 -22.581 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.680 -8.004 -20.938 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.556 -7.313 -21.134 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.196 -6.127 -22.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.203 -7.941 -24.027 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.077 -9.152 -22.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.042 -8.730 -24.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.330 -8.371 -22.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.071 -7.114 -23.642 1.00 0.00 H new ATOM 542 N VAL A 33 3.603 -3.940 -19.427 1.00 0.00 N ATOM 543 CA VAL A 33 3.950 -2.621 -18.923 1.00 0.00 C ATOM 544 C VAL A 33 3.846 -1.602 -20.059 1.00 0.00 C ATOM 545 O VAL A 33 4.334 -1.844 -21.162 1.00 0.00 O ATOM 546 CB VAL A 33 5.337 -2.657 -18.276 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.429 -3.777 -17.238 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.430 -2.800 -19.336 1.00 0.00 C ATOM 0 H VAL A 33 4.285 -4.345 -20.068 1.00 0.00 H new ATOM 0 HA VAL A 33 3.251 -2.313 -18.146 1.00 0.00 H new ATOM 0 HB VAL A 33 5.492 -1.710 -17.760 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.424 -3.780 -16.794 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.684 -3.613 -16.459 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.244 -4.737 -17.721 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.406 -2.823 -18.851 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.279 -3.725 -19.892 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.385 -1.954 -20.021 1.00 0.00 H new ATOM 558 N TYR A 34 3.206 -0.484 -19.750 1.00 0.00 N ATOM 559 CA TYR A 34 3.029 0.574 -20.731 1.00 0.00 C ATOM 560 C TYR A 34 3.645 1.885 -20.240 1.00 0.00 C ATOM 561 O TYR A 34 3.718 2.128 -19.037 1.00 0.00 O ATOM 562 CB TYR A 34 1.520 0.759 -20.886 1.00 0.00 C ATOM 563 CG TYR A 34 0.756 -0.539 -21.159 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.763 -1.552 -20.223 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.063 -0.697 -22.342 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.045 -2.775 -20.480 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.654 -1.918 -22.599 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.627 -2.897 -21.655 1.00 0.00 C ATOM 569 OH TYR A 34 -1.305 -4.051 -21.899 1.00 0.00 O ATOM 0 H TYR A 34 2.803 -0.287 -18.834 1.00 0.00 H new ATOM 0 HA TYR A 34 3.515 0.311 -21.670 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.126 1.216 -19.978 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.332 1.457 -21.702 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.306 -1.429 -19.298 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.059 0.096 -23.075 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.041 -3.576 -19.756 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.201 -2.054 -23.520 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.460 -4.524 -21.055 1.00 0.00 H new ATOM 579 N ASP A 35 4.074 2.695 -21.197 1.00 0.00 N ATOM 580 CA ASP A 35 4.680 3.975 -20.877 1.00 0.00 C ATOM 581 C ASP A 35 3.584 5.031 -20.720 1.00 0.00 C ATOM 582 O ASP A 35 3.191 5.672 -21.695 1.00 0.00 O ATOM 583 CB ASP A 35 5.622 4.434 -21.993 1.00 0.00 C ATOM 584 CG ASP A 35 7.103 4.483 -21.611 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.687 3.388 -21.460 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.617 5.614 -21.479 1.00 0.00 O ATOM 0 H ASP A 35 4.014 2.489 -22.194 1.00 0.00 H new ATOM 0 HA ASP A 35 5.246 3.857 -19.953 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.504 3.765 -22.845 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.314 5.427 -22.322 1.00 0.00 H new ATOM 591 N LEU A 36 3.120 5.178 -19.489 1.00 0.00 N ATOM 592 CA LEU A 36 2.076 6.145 -19.192 1.00 0.00 C ATOM 593 C LEU A 36 2.579 7.551 -19.527 1.00 0.00 C ATOM 594 O LEU A 36 1.796 8.418 -19.914 1.00 0.00 O ATOM 595 CB LEU A 36 1.597 5.990 -17.748 1.00 0.00 C ATOM 596 CG LEU A 36 0.662 4.811 -17.473 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.107 5.013 -16.165 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.277 4.570 -18.658 1.00 0.00 C ATOM 0 H LEU A 36 3.447 4.644 -18.684 1.00 0.00 H new ATOM 0 HA LEU A 36 1.200 5.963 -19.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.472 5.892 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.087 6.908 -17.455 1.00 0.00 H new ATOM 0 HG LEU A 36 1.269 3.914 -17.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.764 4.160 -15.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.598 5.100 -15.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.703 5.923 -16.230 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.932 3.727 -18.438 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.880 5.461 -18.832 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.311 4.350 -19.549 1.00 0.00 H new ATOM 610 N THR A 37 3.880 7.733 -19.365 1.00 0.00 N ATOM 611 CA THR A 37 4.497 9.019 -19.645 1.00 0.00 C ATOM 612 C THR A 37 4.196 9.453 -21.080 1.00 0.00 C ATOM 613 O THR A 37 4.376 10.619 -21.431 1.00 0.00 O ATOM 614 CB THR A 37 5.994 8.901 -19.347 1.00 0.00 C ATOM 615 OG1 THR A 37 6.215 9.850 -18.306 1.00 0.00 O ATOM 616 CG2 THR A 37 6.862 9.404 -20.501 1.00 0.00 C ATOM 0 H THR A 37 4.525 7.012 -19.043 1.00 0.00 H new ATOM 0 HA THR A 37 4.085 9.802 -19.008 1.00 0.00 H new ATOM 0 HB THR A 37 6.242 7.861 -19.134 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.535 9.736 -17.609 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.914 9.298 -20.238 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.651 8.819 -21.396 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.640 10.454 -20.693 1.00 0.00 H new ATOM 624 N LYS A 38 3.744 8.492 -21.873 1.00 0.00 N ATOM 625 CA LYS A 38 3.416 8.762 -23.263 1.00 0.00 C ATOM 626 C LYS A 38 1.905 8.965 -23.396 1.00 0.00 C ATOM 627 O LYS A 38 1.449 9.688 -24.279 1.00 0.00 O ATOM 628 CB LYS A 38 3.971 7.657 -24.166 1.00 0.00 C ATOM 629 CG LYS A 38 5.433 7.926 -24.527 1.00 0.00 C ATOM 630 CD LYS A 38 5.702 7.609 -25.999 1.00 0.00 C ATOM 631 CE LYS A 38 7.183 7.301 -26.231 1.00 0.00 C ATOM 632 NZ LYS A 38 7.474 7.215 -27.680 1.00 0.00 N ATOM 0 H LYS A 38 3.597 7.526 -21.580 1.00 0.00 H new ATOM 0 HA LYS A 38 3.891 9.685 -23.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.889 6.694 -23.661 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.374 7.592 -25.076 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.675 8.970 -24.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.084 7.321 -23.896 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.097 6.757 -26.308 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.401 8.454 -26.618 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.798 8.078 -25.776 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.446 6.361 -25.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.483 7.005 -27.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.901 6.458 -28.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.242 8.121 -28.135 1.00 0.00 H new ATOM 646 N PHE A 39 1.172 8.314 -22.506 1.00 0.00 N ATOM 647 CA PHE A 39 -0.277 8.414 -22.513 1.00 0.00 C ATOM 648 C PHE A 39 -0.762 9.409 -21.458 1.00 0.00 C ATOM 649 O PHE A 39 -1.960 9.502 -21.192 1.00 0.00 O ATOM 650 CB PHE A 39 -0.823 7.026 -22.176 1.00 0.00 C ATOM 651 CG PHE A 39 -2.324 6.867 -22.435 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.931 7.620 -23.390 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.048 5.973 -21.709 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.324 7.473 -23.630 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.440 5.827 -21.949 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.048 6.579 -22.905 1.00 0.00 C ATOM 0 H PHE A 39 1.555 7.715 -21.775 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.621 8.761 -23.487 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.283 6.282 -22.762 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.621 6.813 -21.126 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.355 8.329 -23.966 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.565 5.375 -20.951 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.808 8.071 -24.388 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.016 5.119 -21.372 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.106 6.466 -23.089 1.00 0.00 H new ATOM 666 N LEU A 40 0.191 10.131 -20.887 1.00 0.00 N ATOM 667 CA LEU A 40 -0.124 11.117 -19.869 1.00 0.00 C ATOM 668 C LEU A 40 -0.992 12.218 -20.481 1.00 0.00 C ATOM 669 O LEU A 40 -2.040 12.562 -19.937 1.00 0.00 O ATOM 670 CB LEU A 40 1.156 11.636 -19.211 1.00 0.00 C ATOM 671 CG LEU A 40 1.241 11.479 -17.691 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.493 10.020 -17.306 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.295 12.418 -17.101 1.00 0.00 C ATOM 0 H LEU A 40 1.183 10.052 -21.111 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.705 10.663 -19.067 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.006 11.119 -19.658 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.262 12.693 -19.454 1.00 0.00 H new ATOM 0 HG LEU A 40 0.280 11.765 -17.263 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.549 9.935 -16.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.677 9.400 -17.677 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.432 9.685 -17.746 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.335 12.286 -16.020 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.270 12.187 -17.531 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.032 13.450 -17.331 1.00 0.00 H new ATOM 685 N GLU A 41 -0.523 12.741 -21.604 1.00 0.00 N ATOM 686 CA GLU A 41 -1.243 13.795 -22.297 1.00 0.00 C ATOM 687 C GLU A 41 -2.729 13.447 -22.398 1.00 0.00 C ATOM 688 O GLU A 41 -3.569 14.115 -21.798 1.00 0.00 O ATOM 689 CB GLU A 41 -0.644 14.049 -23.682 1.00 0.00 C ATOM 690 CG GLU A 41 -0.242 15.518 -23.845 1.00 0.00 C ATOM 691 CD GLU A 41 0.177 15.814 -25.286 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.738 15.967 -26.123 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.403 15.881 -25.517 1.00 0.00 O ATOM 0 H GLU A 41 0.348 12.454 -22.051 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.144 14.714 -21.720 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.228 13.411 -23.828 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.368 13.779 -24.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.077 16.161 -23.566 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.580 15.751 -23.168 1.00 0.00 H new ATOM 700 N GLU A 42 -3.008 12.401 -23.160 1.00 0.00 N ATOM 701 CA GLU A 42 -4.378 11.954 -23.347 1.00 0.00 C ATOM 702 C GLU A 42 -5.057 11.743 -21.991 1.00 0.00 C ATOM 703 O GLU A 42 -4.553 12.191 -20.964 1.00 0.00 O ATOM 704 CB GLU A 42 -4.430 10.680 -24.191 1.00 0.00 C ATOM 705 CG GLU A 42 -5.003 10.965 -25.581 1.00 0.00 C ATOM 706 CD GLU A 42 -6.385 10.331 -25.745 1.00 0.00 C ATOM 707 OE1 GLU A 42 -7.242 10.603 -24.875 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.555 9.587 -26.736 1.00 0.00 O ATOM 0 H GLU A 42 -2.308 11.849 -23.656 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.922 12.729 -23.887 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.428 10.261 -24.286 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.042 9.931 -23.688 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.072 12.042 -25.736 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.328 10.576 -26.343 1.00 0.00 H new ATOM 715 N HIS A 43 -6.191 11.059 -22.034 1.00 0.00 N ATOM 716 CA HIS A 43 -6.944 10.782 -20.823 1.00 0.00 C ATOM 717 C HIS A 43 -7.867 11.962 -20.512 1.00 0.00 C ATOM 718 O HIS A 43 -7.407 13.094 -20.375 1.00 0.00 O ATOM 719 CB HIS A 43 -6.004 10.443 -19.665 1.00 0.00 C ATOM 720 CG HIS A 43 -6.365 9.172 -18.933 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.498 8.098 -18.824 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.506 8.815 -18.277 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.101 7.144 -18.131 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.345 7.590 -17.793 1.00 0.00 N ATOM 0 H HIS A 43 -6.606 10.688 -22.889 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.572 9.904 -20.973 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.988 10.353 -20.050 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.004 11.271 -18.956 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.556 8.050 -19.211 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.390 9.426 -18.170 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.681 6.182 -17.878 1.00 0.00 H new ATOM 733 N PRO A 44 -9.186 11.649 -20.406 1.00 0.00 N ATOM 734 CA PRO A 44 -10.176 12.670 -20.113 1.00 0.00 C ATOM 735 C PRO A 44 -10.122 13.081 -18.640 1.00 0.00 C ATOM 736 O PRO A 44 -10.838 13.987 -18.217 1.00 0.00 O ATOM 737 CB PRO A 44 -11.509 12.050 -20.506 1.00 0.00 C ATOM 738 CG PRO A 44 -11.268 10.550 -20.567 1.00 0.00 C ATOM 739 CD PRO A 44 -9.767 10.318 -20.563 1.00 0.00 C ATOM 0 HA PRO A 44 -10.002 13.594 -20.664 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.283 12.292 -19.777 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.848 12.431 -21.469 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.733 10.054 -19.715 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.717 10.128 -21.466 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.471 9.658 -19.748 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.436 9.848 -21.490 1.00 0.00 H new ATOM 747 N GLY A 45 -9.264 12.395 -17.899 1.00 0.00 N ATOM 748 CA GLY A 45 -9.105 12.678 -16.483 1.00 0.00 C ATOM 749 C GLY A 45 -7.899 13.588 -16.237 1.00 0.00 C ATOM 750 O GLY A 45 -8.021 14.620 -15.579 1.00 0.00 O ATOM 0 H GLY A 45 -8.672 11.644 -18.253 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.008 13.154 -16.100 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.979 11.745 -15.934 1.00 0.00 H new ATOM 754 N GLY A 46 -6.765 13.171 -16.777 1.00 0.00 N ATOM 755 CA GLY A 46 -5.538 13.936 -16.626 1.00 0.00 C ATOM 756 C GLY A 46 -4.310 13.027 -16.719 1.00 0.00 C ATOM 757 O GLY A 46 -4.391 11.922 -17.252 1.00 0.00 O ATOM 0 H GLY A 46 -6.669 12.313 -17.320 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.486 14.703 -17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.542 14.451 -15.665 1.00 0.00 H new ATOM 761 N GLU A 47 -3.203 13.528 -16.191 1.00 0.00 N ATOM 762 CA GLU A 47 -1.959 12.776 -16.208 1.00 0.00 C ATOM 763 C GLU A 47 -1.869 11.874 -14.975 1.00 0.00 C ATOM 764 O GLU A 47 -1.485 10.710 -15.080 1.00 0.00 O ATOM 765 CB GLU A 47 -0.753 13.711 -16.293 1.00 0.00 C ATOM 766 CG GLU A 47 -0.576 14.250 -17.714 1.00 0.00 C ATOM 767 CD GLU A 47 -0.495 15.779 -17.715 1.00 0.00 C ATOM 768 OE1 GLU A 47 0.506 16.294 -17.169 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.434 16.397 -18.261 1.00 0.00 O ATOM 0 H GLU A 47 -3.141 14.445 -15.749 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.950 12.146 -17.097 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.882 14.541 -15.599 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.147 13.178 -15.988 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.330 13.834 -18.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.410 13.926 -18.336 1.00 0.00 H new ATOM 776 N GLU A 48 -2.228 12.446 -13.835 1.00 0.00 N ATOM 777 CA GLU A 48 -2.192 11.708 -12.584 1.00 0.00 C ATOM 778 C GLU A 48 -2.915 10.368 -12.736 1.00 0.00 C ATOM 779 O GLU A 48 -2.409 9.334 -12.305 1.00 0.00 O ATOM 780 CB GLU A 48 -2.795 12.531 -11.444 1.00 0.00 C ATOM 781 CG GLU A 48 -1.863 12.557 -10.232 1.00 0.00 C ATOM 782 CD GLU A 48 -1.912 13.914 -9.529 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.643 14.921 -10.220 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.221 13.915 -8.318 1.00 0.00 O ATOM 0 H GLU A 48 -2.545 13.412 -13.752 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.150 11.509 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.981 13.549 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.758 12.110 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.149 11.771 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.842 12.345 -10.550 1.00 0.00 H new ATOM 791 N VAL A 49 -4.087 10.432 -13.350 1.00 0.00 N ATOM 792 CA VAL A 49 -4.885 9.236 -13.563 1.00 0.00 C ATOM 793 C VAL A 49 -3.972 8.091 -14.007 1.00 0.00 C ATOM 794 O VAL A 49 -4.289 6.922 -13.793 1.00 0.00 O ATOM 795 CB VAL A 49 -6.006 9.528 -14.563 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.445 9.724 -15.974 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.062 8.421 -14.542 1.00 0.00 C ATOM 0 H VAL A 49 -4.503 11.292 -13.707 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.366 8.927 -12.635 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.489 10.458 -14.262 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.262 9.930 -16.665 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.748 10.562 -15.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.924 8.819 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.847 8.653 -15.262 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.598 7.470 -14.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.494 8.349 -13.544 1.00 0.00 H new ATOM 807 N LEU A 50 -2.857 8.467 -14.614 1.00 0.00 N ATOM 808 CA LEU A 50 -1.895 7.486 -15.088 1.00 0.00 C ATOM 809 C LEU A 50 -0.658 7.516 -14.190 1.00 0.00 C ATOM 810 O LEU A 50 -0.108 6.470 -13.849 1.00 0.00 O ATOM 811 CB LEU A 50 -1.586 7.712 -16.569 1.00 0.00 C ATOM 812 CG LEU A 50 -2.796 7.801 -17.501 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.913 9.198 -18.115 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.747 6.708 -18.570 1.00 0.00 C ATOM 0 H LEU A 50 -2.597 9.438 -14.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.312 6.481 -15.023 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.011 8.633 -16.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.946 6.900 -16.914 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.696 7.632 -16.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.781 9.235 -18.773 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.028 9.936 -17.321 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.013 9.420 -18.689 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.619 6.794 -19.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.840 6.820 -19.164 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.747 5.729 -18.090 1.00 0.00 H new ATOM 826 N ARG A 51 -0.255 8.726 -13.830 1.00 0.00 N ATOM 827 CA ARG A 51 0.909 8.906 -12.979 1.00 0.00 C ATOM 828 C ARG A 51 0.651 8.302 -11.596 1.00 0.00 C ATOM 829 O ARG A 51 1.498 7.589 -11.059 1.00 0.00 O ATOM 830 CB ARG A 51 1.253 10.388 -12.822 1.00 0.00 C ATOM 831 CG ARG A 51 2.751 10.580 -12.578 1.00 0.00 C ATOM 832 CD ARG A 51 3.016 11.056 -11.149 1.00 0.00 C ATOM 833 NE ARG A 51 4.171 11.981 -11.129 1.00 0.00 N ATOM 834 CZ ARG A 51 4.849 12.314 -10.022 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.491 11.801 -8.838 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.884 13.162 -10.100 1.00 0.00 N ATOM 0 H ARG A 51 -0.714 9.592 -14.112 1.00 0.00 H new ATOM 0 HA ARG A 51 1.749 8.398 -13.453 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.954 10.931 -13.719 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.688 10.810 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.275 9.641 -12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.149 11.306 -13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.132 11.557 -10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.213 10.201 -10.503 1.00 0.00 H new ATOM 0 HE ARG A 51 4.470 12.391 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.702 11.157 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.007 12.054 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.155 13.554 -11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.400 13.416 -9.258 1.00 0.00 H new ATOM 850 N GLU A 52 -0.521 8.607 -11.060 1.00 0.00 N ATOM 851 CA GLU A 52 -0.899 8.103 -9.751 1.00 0.00 C ATOM 852 C GLU A 52 -0.899 6.573 -9.751 1.00 0.00 C ATOM 853 O GLU A 52 -0.796 5.949 -8.696 1.00 0.00 O ATOM 854 CB GLU A 52 -2.263 8.651 -9.325 1.00 0.00 C ATOM 855 CG GLU A 52 -2.132 9.547 -8.091 1.00 0.00 C ATOM 856 CD GLU A 52 -2.108 8.713 -6.808 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.037 7.893 -6.646 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.158 8.913 -6.019 1.00 0.00 O ATOM 0 H GLU A 52 -1.222 9.197 -11.508 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.163 8.447 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.704 9.218 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.940 7.824 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.219 10.138 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.965 10.249 -8.057 1.00 0.00 H new ATOM 865 N GLN A 53 -1.015 6.013 -10.947 1.00 0.00 N ATOM 866 CA GLN A 53 -1.030 4.568 -11.098 1.00 0.00 C ATOM 867 C GLN A 53 0.360 4.061 -11.485 1.00 0.00 C ATOM 868 O GLN A 53 0.717 2.924 -11.182 1.00 0.00 O ATOM 869 CB GLN A 53 -2.079 4.136 -12.125 1.00 0.00 C ATOM 870 CG GLN A 53 -1.753 4.699 -13.510 1.00 0.00 C ATOM 871 CD GLN A 53 -2.650 4.072 -14.580 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.366 3.018 -15.125 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.745 4.777 -14.849 1.00 0.00 N ATOM 0 H GLN A 53 -1.099 6.534 -11.820 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.303 4.124 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.121 3.048 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.064 4.480 -11.811 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.885 5.781 -13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.707 4.506 -13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.922 5.652 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.408 4.443 -15.549 1.00 0.00 H new ATOM 882 N ALA A 54 1.107 4.930 -12.152 1.00 0.00 N ATOM 883 CA ALA A 54 2.450 4.583 -12.585 1.00 0.00 C ATOM 884 C ALA A 54 3.276 4.147 -11.373 1.00 0.00 C ATOM 885 O ALA A 54 3.349 4.864 -10.376 1.00 0.00 O ATOM 886 CB ALA A 54 3.074 5.774 -13.317 1.00 0.00 C ATOM 0 H ALA A 54 0.808 5.872 -12.403 1.00 0.00 H new ATOM 0 HA ALA A 54 2.423 3.747 -13.284 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.081 5.514 -13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.466 6.026 -14.186 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.119 6.631 -12.645 1.00 0.00 H new ATOM 892 N GLY A 55 3.878 2.973 -11.499 1.00 0.00 N ATOM 893 CA GLY A 55 4.695 2.433 -10.426 1.00 0.00 C ATOM 894 C GLY A 55 4.240 1.021 -10.048 1.00 0.00 C ATOM 895 O GLY A 55 4.727 0.448 -9.074 1.00 0.00 O ATOM 0 H GLY A 55 3.816 2.381 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.740 2.412 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.634 3.084 -9.554 1.00 0.00 H new ATOM 899 N GLY A 56 3.313 0.502 -10.838 1.00 0.00 N ATOM 900 CA GLY A 56 2.788 -0.832 -10.599 1.00 0.00 C ATOM 901 C GLY A 56 1.640 -1.150 -11.560 1.00 0.00 C ATOM 902 O GLY A 56 1.331 -0.355 -12.447 1.00 0.00 O ATOM 0 H GLY A 56 2.911 0.980 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.584 -1.567 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.438 -0.910 -9.570 1.00 0.00 H new ATOM 906 N ASP A 57 1.042 -2.313 -11.351 1.00 0.00 N ATOM 907 CA ASP A 57 -0.065 -2.746 -12.188 1.00 0.00 C ATOM 908 C ASP A 57 -1.284 -1.863 -11.912 1.00 0.00 C ATOM 909 O ASP A 57 -1.776 -1.813 -10.785 1.00 0.00 O ATOM 910 CB ASP A 57 -0.452 -4.195 -11.885 1.00 0.00 C ATOM 911 CG ASP A 57 -1.957 -4.470 -11.854 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.537 -4.326 -10.757 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.492 -4.816 -12.929 1.00 0.00 O ATOM 0 H ASP A 57 1.302 -2.969 -10.615 1.00 0.00 H new ATOM 0 HA ASP A 57 0.249 -2.667 -13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.005 -4.841 -12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.027 -4.475 -10.921 1.00 0.00 H new ATOM 918 N ALA A 58 -1.737 -1.190 -12.960 1.00 0.00 N ATOM 919 CA ALA A 58 -2.889 -0.311 -12.843 1.00 0.00 C ATOM 920 C ALA A 58 -4.155 -1.089 -13.210 1.00 0.00 C ATOM 921 O ALA A 58 -5.266 -0.639 -12.932 1.00 0.00 O ATOM 922 CB ALA A 58 -2.683 0.921 -13.727 1.00 0.00 C ATOM 0 H ALA A 58 -1.328 -1.235 -13.893 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.003 0.041 -11.818 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.547 1.580 -13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.787 1.453 -13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.569 0.609 -14.765 1.00 0.00 H new ATOM 928 N THR A 59 -3.947 -2.241 -13.828 1.00 0.00 N ATOM 929 CA THR A 59 -5.057 -3.084 -14.237 1.00 0.00 C ATOM 930 C THR A 59 -6.036 -3.274 -13.076 1.00 0.00 C ATOM 931 O THR A 59 -7.236 -3.056 -13.230 1.00 0.00 O ATOM 932 CB THR A 59 -4.483 -4.397 -14.769 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.162 -4.598 -16.006 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.891 -5.604 -13.920 1.00 0.00 C ATOM 0 H THR A 59 -3.024 -2.611 -14.056 1.00 0.00 H new ATOM 0 HA THR A 59 -5.634 -2.619 -15.036 1.00 0.00 H new ATOM 0 HB THR A 59 -3.396 -4.329 -14.803 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.026 -4.136 -15.984 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.456 -6.510 -14.343 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.530 -5.470 -12.900 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.977 -5.693 -13.912 1.00 0.00 H new ATOM 942 N GLU A 60 -5.486 -3.680 -11.941 1.00 0.00 N ATOM 943 CA GLU A 60 -6.295 -3.903 -10.755 1.00 0.00 C ATOM 944 C GLU A 60 -7.302 -2.764 -10.578 1.00 0.00 C ATOM 945 O GLU A 60 -8.355 -2.951 -9.971 1.00 0.00 O ATOM 946 CB GLU A 60 -5.416 -4.054 -9.511 1.00 0.00 C ATOM 947 CG GLU A 60 -4.560 -2.806 -9.290 1.00 0.00 C ATOM 948 CD GLU A 60 -5.098 -1.970 -8.127 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.257 -2.557 -7.035 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.336 -0.765 -8.356 1.00 0.00 O ATOM 0 H GLU A 60 -4.490 -3.860 -11.818 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.846 -4.834 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.043 -4.228 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.772 -4.927 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.530 -3.099 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.546 -2.205 -10.199 1.00 0.00 H new ATOM 957 N ASN A 61 -6.945 -1.609 -11.121 1.00 0.00 N ATOM 958 CA ASN A 61 -7.803 -0.442 -11.031 1.00 0.00 C ATOM 959 C ASN A 61 -8.594 -0.295 -12.334 1.00 0.00 C ATOM 960 O ASN A 61 -9.822 -0.223 -12.314 1.00 0.00 O ATOM 961 CB ASN A 61 -6.982 0.833 -10.829 1.00 0.00 C ATOM 962 CG ASN A 61 -7.569 1.692 -9.708 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.666 2.216 -9.802 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.779 1.806 -8.644 1.00 0.00 N ATOM 0 H ASN A 61 -6.071 -1.458 -11.625 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.470 -0.579 -10.180 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.951 0.572 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.959 1.405 -11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.081 2.359 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.871 1.341 -8.630 1.00 0.00 H new ATOM 971 N PHE A 62 -7.857 -0.253 -13.433 1.00 0.00 N ATOM 972 CA PHE A 62 -8.473 -0.116 -14.742 1.00 0.00 C ATOM 973 C PHE A 62 -9.667 -1.061 -14.888 1.00 0.00 C ATOM 974 O PHE A 62 -10.568 -0.809 -15.686 1.00 0.00 O ATOM 975 CB PHE A 62 -7.411 -0.490 -15.778 1.00 0.00 C ATOM 976 CG PHE A 62 -7.851 -1.588 -16.750 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.809 -2.891 -16.367 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.281 -1.257 -17.998 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.217 -3.909 -17.270 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.689 -2.275 -18.900 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.648 -3.580 -18.517 1.00 0.00 C ATOM 0 H PHE A 62 -6.839 -0.311 -13.445 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.833 0.904 -14.879 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.144 0.400 -16.348 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.511 -0.818 -15.259 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.466 -3.153 -15.377 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.312 -0.221 -18.302 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.185 -4.945 -16.966 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.032 -2.013 -19.890 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.958 -4.354 -19.203 1.00 0.00 H new ATOM 991 N GLU A 63 -9.634 -2.129 -14.106 1.00 0.00 N ATOM 992 CA GLU A 63 -10.703 -3.114 -14.137 1.00 0.00 C ATOM 993 C GLU A 63 -11.970 -2.542 -13.496 1.00 0.00 C ATOM 994 O GLU A 63 -13.056 -2.643 -14.064 1.00 0.00 O ATOM 995 CB GLU A 63 -10.275 -4.411 -13.446 1.00 0.00 C ATOM 996 CG GLU A 63 -9.861 -5.467 -14.472 1.00 0.00 C ATOM 997 CD GLU A 63 -11.006 -6.442 -14.748 1.00 0.00 C ATOM 998 OE1 GLU A 63 -12.123 -5.946 -15.007 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.738 -7.662 -14.695 1.00 0.00 O ATOM 0 H GLU A 63 -8.884 -2.335 -13.446 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.922 -3.352 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.444 -4.210 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.096 -4.791 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.562 -4.980 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.993 -6.015 -14.105 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.788 -1.957 -12.322 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.903 -1.371 -11.598 1.00 0.00 C ATOM 1008 C ASP A 64 -13.542 -0.276 -12.454 1.00 0.00 C ATOM 1009 O ASP A 64 -14.766 -0.173 -12.525 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.435 -0.733 -10.289 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.292 -1.065 -9.066 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.261 -0.311 -8.830 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.959 -2.064 -8.393 1.00 0.00 O ATOM 0 H ASP A 64 -10.885 -1.876 -11.854 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.617 -2.165 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.411 -1.050 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.414 0.349 -10.417 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.686 0.514 -13.085 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.151 1.598 -13.933 1.00 0.00 C ATOM 1020 C VAL A 65 -13.642 1.022 -15.263 1.00 0.00 C ATOM 1021 O VAL A 65 -14.102 1.763 -16.132 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.046 2.641 -14.105 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.665 2.015 -13.898 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.140 3.320 -15.472 1.00 0.00 C ATOM 0 H VAL A 65 -11.672 0.425 -13.026 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.993 2.112 -13.469 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.186 3.406 -13.341 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.897 2.778 -14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.601 1.600 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.512 1.221 -14.628 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.343 4.057 -15.568 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.039 2.571 -16.258 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.106 3.816 -15.566 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.528 -0.292 -15.381 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.955 -0.975 -16.591 1.00 0.00 C ATOM 1036 C GLY A 66 -13.720 -0.102 -17.824 1.00 0.00 C ATOM 1037 O GLY A 66 -14.605 0.645 -18.239 1.00 0.00 O ATOM 0 H GLY A 66 -13.146 -0.903 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.409 -1.913 -16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.013 -1.228 -16.516 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.523 -0.226 -18.378 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.159 0.542 -19.556 1.00 0.00 C ATOM 1043 C HIS A 67 -12.697 -0.154 -20.809 1.00 0.00 C ATOM 1044 O HIS A 67 -13.178 -1.284 -20.736 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.647 0.774 -19.610 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.202 2.064 -18.966 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -11.020 3.177 -18.870 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.015 2.408 -18.387 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -10.345 4.140 -18.259 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.104 3.661 -17.960 1.00 0.00 N ATOM 0 H HIS A 67 -11.792 -0.848 -18.032 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.617 1.530 -19.505 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.144 -0.058 -19.118 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.326 0.770 -20.652 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.979 3.244 -19.211 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.150 1.769 -18.292 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.713 5.131 -18.037 1.00 0.00 H new ATOM 1059 N SER A 68 -12.598 0.550 -21.926 1.00 0.00 N ATOM 1060 CA SER A 68 -13.068 0.014 -23.192 1.00 0.00 C ATOM 1061 C SER A 68 -11.922 -0.692 -23.920 1.00 0.00 C ATOM 1062 O SER A 68 -10.753 -0.394 -23.680 1.00 0.00 O ATOM 1063 CB SER A 68 -13.656 1.118 -24.073 1.00 0.00 C ATOM 1064 OG SER A 68 -12.651 1.796 -24.822 1.00 0.00 O ATOM 0 H SER A 68 -12.199 1.487 -21.981 1.00 0.00 H new ATOM 0 HA SER A 68 -13.858 -0.708 -22.985 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.387 0.686 -24.756 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.188 1.835 -23.448 1.00 0.00 H new ATOM 0 HG SER A 68 -13.039 2.589 -25.247 1.00 0.00 H new ATOM 1070 N THR A 69 -12.297 -1.614 -24.795 1.00 0.00 N ATOM 1071 CA THR A 69 -11.316 -2.364 -25.559 1.00 0.00 C ATOM 1072 C THR A 69 -10.436 -1.415 -26.375 1.00 0.00 C ATOM 1073 O THR A 69 -9.328 -1.773 -26.768 1.00 0.00 O ATOM 1074 CB THR A 69 -12.064 -3.388 -26.415 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.270 -4.491 -25.537 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.195 -3.961 -27.536 1.00 0.00 C ATOM 0 H THR A 69 -13.268 -1.858 -24.991 1.00 0.00 H new ATOM 0 HA THR A 69 -10.634 -2.905 -24.903 1.00 0.00 H new ATOM 0 HB THR A 69 -12.950 -2.922 -26.845 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.751 -5.201 -26.011 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.774 -4.682 -28.113 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.866 -3.154 -28.190 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.325 -4.456 -27.105 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.966 -0.222 -26.607 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.244 0.781 -27.371 1.00 0.00 C ATOM 1086 C ASP A 70 -9.118 1.358 -26.510 1.00 0.00 C ATOM 1087 O ASP A 70 -7.980 1.471 -26.962 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.164 1.933 -27.779 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.526 2.980 -28.692 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.482 3.532 -28.279 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.094 3.205 -29.781 1.00 0.00 O ATOM 0 H ASP A 70 -11.886 0.072 -26.279 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.849 0.302 -28.267 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.038 1.519 -28.282 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.521 2.429 -26.877 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.476 1.709 -25.283 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.510 2.272 -24.355 1.00 0.00 C ATOM 1098 C ALA A 71 -7.351 1.290 -24.175 1.00 0.00 C ATOM 1099 O ALA A 71 -6.188 1.689 -24.194 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.207 2.602 -23.033 1.00 0.00 C ATOM 0 H ALA A 71 -10.421 1.614 -24.911 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.096 3.201 -24.746 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.483 3.024 -22.336 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.003 3.325 -23.212 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.631 1.692 -22.608 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.708 0.027 -24.002 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.711 -1.015 -23.819 1.00 0.00 C ATOM 1108 C ARG A 72 -5.868 -1.171 -25.086 1.00 0.00 C ATOM 1109 O ARG A 72 -4.649 -1.321 -25.010 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.370 -2.355 -23.483 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.359 -2.204 -22.325 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.979 -3.553 -21.957 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.919 -4.507 -21.564 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.308 -5.343 -22.414 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.648 -5.348 -23.710 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.356 -6.175 -21.968 1.00 0.00 N ATOM 0 H ARG A 72 -8.674 -0.300 -23.985 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.071 -0.720 -22.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.889 -2.740 -24.361 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.605 -3.085 -23.220 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.848 -1.785 -21.458 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.145 -1.502 -22.602 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.687 -3.426 -21.138 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.539 -3.948 -22.804 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.636 -4.530 -20.584 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.372 -4.715 -24.050 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.183 -5.985 -24.357 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.097 -6.172 -20.981 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.891 -6.812 -22.615 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.550 -1.131 -26.221 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.879 -1.267 -27.503 1.00 0.00 C ATOM 1132 C GLU A 73 -4.912 -0.102 -27.722 1.00 0.00 C ATOM 1133 O GLU A 73 -3.807 -0.294 -28.226 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.892 -1.361 -28.645 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.075 -2.810 -29.098 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.129 -2.911 -30.203 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.314 -2.681 -29.879 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.725 -3.215 -31.346 1.00 0.00 O ATOM 0 H GLU A 73 -7.561 -1.006 -26.280 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.305 -2.193 -27.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.850 -0.954 -28.321 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.556 -0.753 -29.485 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.125 -3.204 -29.459 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.373 -3.425 -28.249 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.362 1.081 -27.330 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.551 2.277 -27.476 1.00 0.00 C ATOM 1147 C LEU A 74 -3.259 2.115 -26.671 1.00 0.00 C ATOM 1148 O LEU A 74 -2.185 2.497 -27.131 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.358 3.522 -27.100 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.880 4.281 -25.861 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.861 5.359 -26.238 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.063 4.859 -25.081 1.00 0.00 C ATOM 0 H LEU A 74 -6.279 1.236 -26.911 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.262 2.415 -28.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.348 4.207 -27.948 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.395 3.225 -26.942 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.374 3.575 -25.202 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.537 5.884 -25.339 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.999 4.894 -26.717 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.320 6.068 -26.927 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.695 5.393 -24.205 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.618 5.547 -25.719 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.719 4.049 -24.763 1.00 0.00 H new ATOM 1164 N SER A 75 -3.408 1.547 -25.483 1.00 0.00 N ATOM 1165 CA SER A 75 -2.267 1.331 -24.609 1.00 0.00 C ATOM 1166 C SER A 75 -1.205 0.502 -25.335 1.00 0.00 C ATOM 1167 O SER A 75 -0.015 0.628 -25.051 1.00 0.00 O ATOM 1168 CB SER A 75 -2.691 0.634 -23.314 1.00 0.00 C ATOM 1169 OG SER A 75 -4.072 0.286 -23.322 1.00 0.00 O ATOM 0 H SER A 75 -4.301 1.230 -25.105 1.00 0.00 H new ATOM 0 HA SER A 75 -1.846 2.301 -24.346 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.091 -0.265 -23.173 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.487 1.289 -22.467 1.00 0.00 H new ATOM 0 HG SER A 75 -4.166 -0.676 -23.484 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.673 -0.326 -26.257 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.777 -1.174 -27.025 1.00 0.00 C ATOM 1177 C LYS A 76 0.212 -0.298 -27.796 1.00 0.00 C ATOM 1178 O LYS A 76 1.218 -0.790 -28.305 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.574 -2.131 -27.913 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.628 -1.623 -29.355 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.577 -2.475 -30.201 1.00 0.00 C ATOM 1182 CE LYS A 76 -3.478 -1.593 -31.069 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.919 -1.468 -32.434 1.00 0.00 N ATOM 0 H LYS A 76 -2.661 -0.428 -26.490 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.190 -1.808 -26.360 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.118 -3.121 -27.889 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.586 -2.237 -27.523 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.958 -0.584 -29.366 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.629 -1.645 -29.790 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.000 -3.148 -30.836 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.190 -3.098 -29.550 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.479 -2.021 -31.117 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.575 -0.606 -30.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.542 -0.867 -33.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.973 -1.039 -32.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.849 -2.410 -32.868 1.00 0.00 H new ATOM 1197 N THR A 77 -0.109 0.986 -27.861 1.00 0.00 N ATOM 1198 CA THR A 77 0.737 1.936 -28.563 1.00 0.00 C ATOM 1199 C THR A 77 1.846 2.445 -27.639 1.00 0.00 C ATOM 1200 O THR A 77 2.870 2.939 -28.108 1.00 0.00 O ATOM 1201 CB THR A 77 -0.155 3.050 -29.112 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.631 3.654 -30.135 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.376 4.176 -28.099 1.00 0.00 C ATOM 0 H THR A 77 -0.944 1.391 -27.438 1.00 0.00 H new ATOM 0 HA THR A 77 1.247 1.465 -29.404 1.00 0.00 H new ATOM 0 HB THR A 77 -1.117 2.631 -29.406 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.126 4.387 -30.546 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.016 4.941 -28.539 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.854 3.773 -27.206 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.584 4.617 -27.830 1.00 0.00 H new ATOM 1211 N PHE A 78 1.604 2.305 -26.344 1.00 0.00 N ATOM 1212 CA PHE A 78 2.570 2.744 -25.351 1.00 0.00 C ATOM 1213 C PHE A 78 3.313 1.554 -24.744 1.00 0.00 C ATOM 1214 O PHE A 78 4.324 1.728 -24.067 1.00 0.00 O ATOM 1215 CB PHE A 78 1.785 3.458 -24.249 1.00 0.00 C ATOM 1216 CG PHE A 78 1.073 4.731 -24.714 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.790 5.747 -25.260 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.276 4.843 -24.580 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.130 6.930 -25.691 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.934 6.024 -25.011 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.219 7.042 -25.559 1.00 0.00 C ATOM 0 H PHE A 78 0.753 1.894 -25.959 1.00 0.00 H new ATOM 0 HA PHE A 78 3.308 3.399 -25.814 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.045 2.770 -23.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.467 3.712 -23.438 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.861 5.656 -25.367 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.845 4.034 -24.146 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.700 7.739 -26.123 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.005 6.114 -24.903 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.722 7.939 -25.889 1.00 0.00 H new ATOM 1231 N ILE A 79 2.782 0.369 -25.009 1.00 0.00 N ATOM 1232 CA ILE A 79 3.382 -0.852 -24.496 1.00 0.00 C ATOM 1233 C ILE A 79 4.895 -0.804 -24.722 1.00 0.00 C ATOM 1234 O ILE A 79 5.355 -0.722 -25.860 1.00 0.00 O ATOM 1235 CB ILE A 79 2.708 -2.079 -25.111 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.592 -2.603 -24.204 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.735 -3.164 -25.440 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.405 -4.112 -24.380 1.00 0.00 C ATOM 0 H ILE A 79 1.943 0.228 -25.572 1.00 0.00 H new ATOM 0 HA ILE A 79 3.221 -0.934 -23.421 1.00 0.00 H new ATOM 0 HB ILE A 79 2.246 -1.778 -26.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.830 -2.381 -23.164 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.659 -2.088 -24.434 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.228 -4.025 -25.876 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.462 -2.773 -26.151 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.247 -3.469 -24.527 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.606 -4.459 -23.724 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.143 -4.328 -25.416 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.332 -4.626 -24.125 1.00 0.00 H new ATOM 1250 N ILE A 80 5.626 -0.858 -23.618 1.00 0.00 N ATOM 1251 CA ILE A 80 7.079 -0.823 -23.681 1.00 0.00 C ATOM 1252 C ILE A 80 7.632 -2.214 -23.369 1.00 0.00 C ATOM 1253 O ILE A 80 8.709 -2.578 -23.840 1.00 0.00 O ATOM 1254 CB ILE A 80 7.627 0.278 -22.769 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.849 0.337 -21.453 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.642 1.627 -23.488 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.730 0.866 -20.320 1.00 0.00 C ATOM 0 H ILE A 80 5.241 -0.926 -22.676 1.00 0.00 H new ATOM 0 HA ILE A 80 7.412 -0.567 -24.687 1.00 0.00 H new ATOM 0 HB ILE A 80 8.660 0.035 -22.521 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.976 0.980 -21.571 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.481 -0.657 -21.199 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.036 2.392 -22.818 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.274 1.560 -24.374 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.627 1.892 -23.785 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.153 0.898 -19.396 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.589 0.208 -20.189 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.076 1.870 -20.567 1.00 0.00 H new ATOM 1269 N GLY A 81 6.872 -2.954 -22.576 1.00 0.00 N ATOM 1270 CA GLY A 81 7.273 -4.298 -22.194 1.00 0.00 C ATOM 1271 C GLY A 81 6.144 -5.018 -21.454 1.00 0.00 C ATOM 1272 O GLY A 81 4.968 -4.737 -21.683 1.00 0.00 O ATOM 0 H GLY A 81 5.980 -2.649 -22.187 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.550 -4.865 -23.083 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.157 -4.251 -21.558 1.00 0.00 H new ATOM 1276 N GLU A 82 6.542 -5.932 -20.581 1.00 0.00 N ATOM 1277 CA GLU A 82 5.577 -6.694 -19.804 1.00 0.00 C ATOM 1278 C GLU A 82 6.196 -7.136 -18.477 1.00 0.00 C ATOM 1279 O GLU A 82 7.418 -7.193 -18.345 1.00 0.00 O ATOM 1280 CB GLU A 82 5.063 -7.897 -20.598 1.00 0.00 C ATOM 1281 CG GLU A 82 5.144 -7.636 -22.103 1.00 0.00 C ATOM 1282 CD GLU A 82 4.699 -8.865 -22.896 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.339 -9.924 -22.712 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.728 -8.720 -23.672 1.00 0.00 O ATOM 0 H GLU A 82 7.518 -6.162 -20.394 1.00 0.00 H new ATOM 0 HA GLU A 82 4.723 -6.051 -19.588 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.650 -8.781 -20.347 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.031 -8.109 -20.317 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.516 -6.784 -22.362 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.166 -7.373 -22.376 1.00 0.00 H new ATOM 1291 N LEU A 83 5.323 -7.437 -17.526 1.00 0.00 N ATOM 1292 CA LEU A 83 5.770 -7.873 -16.213 1.00 0.00 C ATOM 1293 C LEU A 83 6.416 -9.254 -16.331 1.00 0.00 C ATOM 1294 O LEU A 83 5.791 -10.199 -16.808 1.00 0.00 O ATOM 1295 CB LEU A 83 4.614 -7.820 -15.211 1.00 0.00 C ATOM 1296 CG LEU A 83 5.010 -7.754 -13.734 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.474 -8.157 -13.540 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.714 -6.372 -13.147 1.00 0.00 C ATOM 0 H LEU A 83 4.310 -7.388 -17.638 1.00 0.00 H new ATOM 0 HA LEU A 83 6.532 -7.196 -15.826 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.999 -6.950 -15.441 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.989 -8.700 -15.360 1.00 0.00 H new ATOM 0 HG LEU A 83 4.402 -8.474 -13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.730 -8.101 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.621 -9.177 -13.896 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.116 -7.480 -14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.005 -6.353 -12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.278 -5.616 -13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.648 -6.161 -13.232 1.00 0.00 H new ATOM 1310 N HIS A 84 7.664 -9.327 -15.888 1.00 0.00 N ATOM 1311 CA HIS A 84 8.403 -10.576 -15.939 1.00 0.00 C ATOM 1312 C HIS A 84 7.883 -11.525 -14.856 1.00 0.00 C ATOM 1313 O HIS A 84 6.927 -11.204 -14.153 1.00 0.00 O ATOM 1314 CB HIS A 84 9.909 -10.322 -15.830 1.00 0.00 C ATOM 1315 CG HIS A 84 10.714 -10.911 -16.963 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.322 -11.420 -18.165 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.094 -11.021 -16.924 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.402 -11.820 -18.825 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.502 -11.573 -18.055 1.00 0.00 N flip ATOM 0 H HIS A 84 8.181 -8.541 -15.493 1.00 0.00 H new ATOM 0 HA HIS A 84 8.243 -11.057 -16.904 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.084 -9.247 -15.794 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.270 -10.735 -14.888 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.730 -10.709 -16.108 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.409 -12.267 -19.808 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.469 -11.778 -18.307 1.00 0.00 H new ATOM 1328 N PRO A 85 8.552 -12.705 -14.756 1.00 0.00 N ATOM 1329 CA PRO A 85 8.167 -13.701 -13.772 1.00 0.00 C ATOM 1330 C PRO A 85 8.615 -13.289 -12.368 1.00 0.00 C ATOM 1331 O PRO A 85 8.506 -14.068 -11.423 1.00 0.00 O ATOM 1332 CB PRO A 85 8.814 -14.993 -14.246 1.00 0.00 C ATOM 1333 CG PRO A 85 9.912 -14.579 -15.212 1.00 0.00 C ATOM 1334 CD PRO A 85 9.689 -13.119 -15.573 1.00 0.00 C ATOM 0 HA PRO A 85 7.086 -13.817 -13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.224 -15.555 -13.407 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.085 -15.638 -14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.893 -14.714 -14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.888 -15.201 -16.107 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.572 -12.518 -15.356 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.477 -13.002 -16.636 1.00 0.00 H new ATOM 1342 N ASP A 86 9.108 -12.063 -12.276 1.00 0.00 N ATOM 1343 CA ASP A 86 9.573 -11.536 -11.004 1.00 0.00 C ATOM 1344 C ASP A 86 8.367 -11.114 -10.162 1.00 0.00 C ATOM 1345 O ASP A 86 8.453 -11.054 -8.935 1.00 0.00 O ATOM 1346 CB ASP A 86 10.461 -10.307 -11.208 1.00 0.00 C ATOM 1347 CG ASP A 86 10.283 -9.201 -10.166 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.961 -9.289 -9.120 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.472 -8.289 -10.442 1.00 0.00 O ATOM 0 H ASP A 86 9.196 -11.419 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 86 10.148 -12.316 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.503 -10.626 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.259 -9.891 -12.195 1.00 0.00 H new ATOM 1354 N ASP A 87 7.273 -10.831 -10.852 1.00 0.00 N ATOM 1355 CA ASP A 87 6.052 -10.416 -10.183 1.00 0.00 C ATOM 1356 C ASP A 87 4.893 -10.443 -11.181 1.00 0.00 C ATOM 1357 O ASP A 87 4.140 -9.476 -11.290 1.00 0.00 O ATOM 1358 CB ASP A 87 6.178 -8.989 -9.642 1.00 0.00 C ATOM 1359 CG ASP A 87 7.003 -8.853 -8.362 1.00 0.00 C ATOM 1360 OD1 ASP A 87 6.470 -9.237 -7.297 1.00 0.00 O ATOM 1361 OD2 ASP A 87 8.151 -8.370 -8.475 1.00 0.00 O ATOM 0 H ASP A 87 7.206 -10.881 -11.869 1.00 0.00 H new ATOM 0 HA ASP A 87 5.872 -11.101 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.626 -8.363 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.178 -8.598 -9.455 1.00 0.00 H new ATOM 1366 N ARG A 88 4.786 -11.559 -11.886 1.00 0.00 N ATOM 1367 CA ARG A 88 3.732 -11.725 -12.871 1.00 0.00 C ATOM 1368 C ARG A 88 2.434 -12.166 -12.191 1.00 0.00 C ATOM 1369 O ARG A 88 1.460 -11.415 -12.159 1.00 0.00 O ATOM 1370 CB ARG A 88 4.123 -12.760 -13.928 1.00 0.00 C ATOM 1371 CG ARG A 88 4.492 -12.082 -15.249 1.00 0.00 C ATOM 1372 CD ARG A 88 5.448 -12.955 -16.065 1.00 0.00 C ATOM 1373 NE ARG A 88 4.714 -14.099 -16.649 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.168 -14.842 -17.669 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.355 -14.563 -18.223 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.434 -15.861 -18.135 1.00 0.00 N ATOM 0 H ARG A 88 5.413 -12.358 -11.794 1.00 0.00 H new ATOM 0 HA ARG A 88 3.581 -10.763 -13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.967 -13.350 -13.570 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.296 -13.451 -14.089 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.588 -11.887 -15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.957 -11.116 -15.049 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.907 -12.364 -16.858 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.256 -13.317 -15.429 1.00 0.00 H new ATOM 0 HE ARG A 88 3.806 -14.338 -16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.913 -13.786 -17.869 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.701 -15.128 -18.999 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.529 -16.072 -17.714 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.780 -16.426 -18.911 1.00 0.00 H new ATOM 1390 N SER A 89 2.463 -13.380 -11.664 1.00 0.00 N ATOM 1391 CA SER A 89 1.300 -13.931 -10.988 1.00 0.00 C ATOM 1392 C SER A 89 0.981 -13.103 -9.741 1.00 0.00 C ATOM 1393 O SER A 89 -0.052 -13.306 -9.104 1.00 0.00 O ATOM 1394 CB SER A 89 1.526 -15.396 -10.608 1.00 0.00 C ATOM 1395 OG SER A 89 2.784 -15.595 -9.970 1.00 0.00 O ATOM 0 H SER A 89 3.273 -13.999 -11.691 1.00 0.00 H new ATOM 0 HA SER A 89 0.453 -13.888 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.727 -15.725 -9.944 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.472 -16.015 -11.503 1.00 0.00 H new ATOM 0 HG SER A 89 2.889 -16.542 -9.742 1.00 0.00 H new ATOM 1401 N LYS A 90 1.887 -12.188 -9.430 1.00 0.00 N ATOM 1402 CA LYS A 90 1.714 -11.328 -8.270 1.00 0.00 C ATOM 1403 C LYS A 90 0.746 -10.196 -8.619 1.00 0.00 C ATOM 1404 O LYS A 90 0.145 -9.594 -7.732 1.00 0.00 O ATOM 1405 CB LYS A 90 3.071 -10.842 -7.757 1.00 0.00 C ATOM 1406 CG LYS A 90 3.433 -11.520 -6.435 1.00 0.00 C ATOM 1407 CD LYS A 90 3.295 -10.545 -5.263 1.00 0.00 C ATOM 1408 CE LYS A 90 3.939 -11.116 -3.998 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.614 -10.044 -3.232 1.00 0.00 N ATOM 0 H LYS A 90 2.743 -12.023 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 90 1.268 -11.885 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.841 -11.052 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.046 -9.761 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.785 -12.381 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.455 -11.895 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.765 -9.595 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.241 -10.340 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.179 -11.591 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.660 -11.889 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.046 -10.448 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.353 -9.609 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.918 -9.321 -2.960 1.00 0.00 H new ATOM 1423 N ILE A 91 0.627 -9.940 -9.914 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.257 -8.892 -10.392 1.00 0.00 C ATOM 1425 C ILE A 91 -1.250 -9.484 -11.393 1.00 0.00 C ATOM 1426 O ILE A 91 -2.386 -9.022 -11.495 1.00 0.00 O ATOM 1427 CB ILE A 91 0.554 -7.720 -10.949 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.767 -7.868 -12.456 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.876 -7.561 -10.196 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.453 -6.630 -13.038 1.00 0.00 C ATOM 0 H ILE A 91 1.129 -10.441 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.842 -8.482 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.017 -6.805 -10.793 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.373 -8.752 -12.656 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.193 -8.022 -12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.433 -6.721 -10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.674 -7.376 -9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.465 -8.473 -10.298 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.592 -6.762 -14.111 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.833 -5.752 -12.858 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.423 -6.493 -12.560 1.00 0.00 H new ATOM 1442 N THR A 92 -0.786 -10.498 -12.108 1.00 0.00 N ATOM 1443 CA THR A 92 -1.618 -11.159 -13.099 1.00 0.00 C ATOM 1444 C THR A 92 -3.096 -11.035 -12.721 1.00 0.00 C ATOM 1445 O THR A 92 -3.454 -11.164 -11.551 1.00 0.00 O ATOM 1446 CB THR A 92 -1.144 -12.608 -13.227 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.655 -13.031 -14.488 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.820 -13.537 -12.218 1.00 0.00 C ATOM 0 H THR A 92 0.156 -10.878 -12.021 1.00 0.00 H new ATOM 0 HA THR A 92 -1.522 -10.684 -14.075 1.00 0.00 H new ATOM 0 HB THR A 92 -0.064 -12.650 -13.089 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.008 -12.815 -15.192 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.448 -14.553 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.596 -13.199 -11.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.898 -13.522 -12.375 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.914 -10.788 -13.734 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.345 -10.647 -13.522 1.00 0.00 C ATOM 1458 C LYS A 93 -5.803 -11.658 -12.470 1.00 0.00 C ATOM 1459 O LYS A 93 -6.019 -12.828 -12.780 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.097 -10.759 -14.849 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.537 -10.262 -14.709 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.481 -11.054 -15.617 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.484 -11.864 -14.792 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.511 -12.465 -15.671 1.00 0.00 N ATOM 0 H LYS A 93 -3.613 -10.682 -14.703 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.576 -9.655 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.581 -10.178 -15.613 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.098 -11.796 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.859 -10.357 -13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.586 -9.203 -14.962 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.015 -10.370 -16.277 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.903 -11.724 -16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.963 -12.648 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.961 -11.220 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.184 -13.011 -15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.019 -11.712 -16.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.053 -13.095 -16.360 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.943 -11.156 -11.213 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.371 -12.003 -10.112 1.00 0.00 C ATOM 1480 C PRO A 94 -7.871 -12.298 -10.199 1.00 0.00 C ATOM 1481 O PRO A 94 -8.483 -12.116 -11.250 1.00 0.00 O ATOM 1482 CB PRO A 94 -5.988 -11.239 -8.855 1.00 0.00 C ATOM 1483 CG PRO A 94 -5.783 -9.797 -9.291 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.697 -9.776 -10.808 1.00 0.00 C ATOM 0 HA PRO A 94 -5.895 -12.984 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.771 -11.311 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.079 -11.646 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.608 -9.173 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.872 -9.391 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.436 -9.100 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.718 -9.433 -11.144 1.00 0.00 H new ATOM 1492 N SER A 95 -8.419 -12.747 -9.079 1.00 0.00 N ATOM 1493 CA SER A 95 -9.834 -13.068 -9.015 1.00 0.00 C ATOM 1494 C SER A 95 -10.595 -11.939 -8.316 1.00 0.00 C ATOM 1495 O SER A 95 -11.417 -11.264 -8.935 1.00 0.00 O ATOM 1496 CB SER A 95 -10.066 -14.392 -8.287 1.00 0.00 C ATOM 1497 OG SER A 95 -11.451 -14.654 -8.082 1.00 0.00 O ATOM 0 H SER A 95 -7.908 -12.896 -8.209 1.00 0.00 H new ATOM 0 HA SER A 95 -10.207 -13.174 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.625 -15.205 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.555 -14.371 -7.324 1.00 0.00 H new ATOM 0 HG SER A 95 -11.557 -15.509 -7.616 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.295 -11.769 -7.037 1.00 0.00 N ATOM 1504 CA GLU A 96 -10.940 -10.732 -6.249 1.00 0.00 C ATOM 1505 C GLU A 96 -12.411 -11.085 -6.013 1.00 0.00 C ATOM 1506 O GLU A 96 -13.056 -11.680 -6.874 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.805 -9.366 -6.922 1.00 0.00 C ATOM 1508 CG GLU A 96 -10.293 -8.316 -5.933 1.00 0.00 C ATOM 1509 CD GLU A 96 -9.406 -7.287 -6.636 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -9.984 -6.360 -7.244 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -8.170 -7.451 -6.551 1.00 0.00 O ATOM 0 H GLU A 96 -9.614 -12.332 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.440 -10.673 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.121 -9.439 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.771 -9.056 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.137 -7.812 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.730 -8.804 -5.138 1.00 0.00 H new ATOM 1518 N SER A 97 -12.898 -10.701 -4.842 1.00 0.00 N ATOM 1519 CA SER A 97 -14.280 -10.968 -4.483 1.00 0.00 C ATOM 1520 C SER A 97 -14.589 -10.369 -3.109 1.00 0.00 C ATOM 1521 O SER A 97 -13.726 -10.338 -2.233 1.00 0.00 O ATOM 1522 CB SER A 97 -14.568 -12.470 -4.483 1.00 0.00 C ATOM 1523 OG SER A 97 -14.067 -13.111 -3.313 1.00 0.00 O ATOM 0 H SER A 97 -12.360 -10.207 -4.130 1.00 0.00 H new ATOM 0 HA SER A 97 -14.923 -10.501 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.644 -12.633 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.119 -12.925 -5.366 1.00 0.00 H new ATOM 0 HG SER A 97 -14.273 -14.068 -3.351 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.821 -9.907 -2.963 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.256 -9.311 -1.711 1.00 0.00 C ATOM 1531 C ILE A 98 -17.751 -9.007 -1.787 1.00 0.00 C ATOM 1532 O ILE A 98 -18.220 -8.409 -2.756 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.396 -8.091 -1.373 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.474 -7.761 0.118 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.777 -6.893 -2.246 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.914 -7.449 0.537 1.00 0.00 C ATOM 0 H ILE A 98 -16.534 -9.933 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.116 -10.011 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.357 -8.334 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -15.096 -8.601 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.834 -6.907 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.151 -6.039 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.628 -7.146 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.824 -6.640 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.941 -7.218 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.280 -6.593 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -17.547 -8.314 0.337 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.463 -9.430 -0.752 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.899 -9.210 -0.690 1.00 0.00 C ATOM 1550 C ILE A 99 -20.278 -8.750 0.718 1.00 0.00 C ATOM 1551 O ILE A 99 -19.778 -9.285 1.706 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.652 -10.459 -1.153 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.021 -10.089 -1.729 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.763 -11.483 -0.022 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.213 -10.699 -3.119 1.00 0.00 C ATOM 0 H ILE A 99 -18.072 -9.924 0.050 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.194 -8.416 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.080 -10.927 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.808 -10.441 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.114 -9.005 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.302 -12.361 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.765 -11.777 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -21.301 -11.042 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -23.193 -10.421 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.439 -10.326 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.144 -11.785 -3.053 1.00 0.00 H new ATOM 1567 N THR A 100 -21.161 -7.762 0.766 1.00 0.00 N ATOM 1568 CA THR A 100 -21.613 -7.223 2.038 1.00 0.00 C ATOM 1569 C THR A 100 -23.135 -7.334 2.151 1.00 0.00 C ATOM 1570 O THR A 100 -23.850 -7.145 1.169 1.00 0.00 O ATOM 1571 CB THR A 100 -21.099 -5.789 2.154 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.681 -5.921 2.087 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.352 -5.185 3.536 1.00 0.00 C ATOM 0 H THR A 100 -21.575 -7.321 -0.055 1.00 0.00 H new ATOM 0 HA THR A 100 -21.212 -7.795 2.875 1.00 0.00 H new ATOM 0 HB THR A 100 -21.578 -5.170 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.267 -5.035 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.967 -4.166 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 100 -22.423 -5.174 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.846 -5.784 4.293 1.00 0.00 H new ATOM 1581 N THR A 101 -23.586 -7.639 3.360 1.00 0.00 N ATOM 1582 CA THR A 101 -25.010 -7.777 3.614 1.00 0.00 C ATOM 1583 C THR A 101 -25.406 -6.989 4.866 1.00 0.00 C ATOM 1584 O THR A 101 -24.750 -7.090 5.900 1.00 0.00 O ATOM 1585 CB THR A 101 -25.330 -9.270 3.711 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.754 -9.318 3.745 1.00 0.00 O ATOM 1587 CG2 THR A 101 -24.904 -9.876 5.049 1.00 0.00 C ATOM 0 H THR A 101 -22.990 -7.794 4.173 1.00 0.00 H new ATOM 0 HA THR A 101 -25.600 -7.355 2.801 1.00 0.00 H new ATOM 0 HB THR A 101 -24.833 -9.801 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.049 -10.251 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.154 -10.937 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 101 -23.828 -9.755 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 101 -25.425 -9.369 5.861 1.00 0.00 H new ATOM 1595 N ILE A 102 -26.477 -6.222 4.727 1.00 0.00 N ATOM 1596 CA ILE A 102 -26.968 -5.417 5.832 1.00 0.00 C ATOM 1597 C ILE A 102 -27.816 -6.292 6.758 1.00 0.00 C ATOM 1598 O ILE A 102 -28.545 -7.167 6.293 1.00 0.00 O ATOM 1599 CB ILE A 102 -27.705 -4.181 5.310 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -27.586 -3.016 6.295 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -29.162 -4.508 4.982 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -26.693 -1.909 5.730 1.00 0.00 C ATOM 0 H ILE A 102 -27.018 -6.141 3.866 1.00 0.00 H new ATOM 0 HA ILE A 102 -26.136 -5.037 6.425 1.00 0.00 H new ATOM 0 HB ILE A 102 -27.230 -3.867 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -28.576 -2.615 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -27.175 -3.374 7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.662 -3.612 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.197 -5.284 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -29.667 -4.861 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -26.625 -1.093 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -25.697 -2.307 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -27.120 -1.537 4.799 1.00 0.00 H new ATOM 1614 N ASP A 103 -27.693 -6.026 8.049 1.00 0.00 N ATOM 1615 CA ASP A 103 -28.439 -6.778 9.044 1.00 0.00 C ATOM 1616 C ASP A 103 -29.762 -6.065 9.330 1.00 0.00 C ATOM 1617 O ASP A 103 -30.835 -6.617 9.085 1.00 0.00 O ATOM 1618 CB ASP A 103 -27.661 -6.877 10.358 1.00 0.00 C ATOM 1619 CG ASP A 103 -28.137 -7.976 11.309 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.357 -8.247 11.298 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -27.270 -8.520 12.026 1.00 0.00 O ATOM 0 H ASP A 103 -27.087 -5.299 8.430 1.00 0.00 H new ATOM 0 HA ASP A 103 -28.610 -7.780 8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -26.609 -7.047 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -27.724 -5.919 10.873 1.00 0.00 H new ATOM 1626 N SER A 104 -29.644 -4.849 9.843 1.00 0.00 N ATOM 1627 CA SER A 104 -30.817 -4.055 10.163 1.00 0.00 C ATOM 1628 C SER A 104 -31.684 -4.791 11.186 1.00 0.00 C ATOM 1629 O SER A 104 -31.448 -5.963 11.475 1.00 0.00 O ATOM 1630 CB SER A 104 -31.631 -3.741 8.906 1.00 0.00 C ATOM 1631 OG SER A 104 -32.474 -4.826 8.531 1.00 0.00 O ATOM 0 H SER A 104 -28.753 -4.395 10.045 1.00 0.00 H new ATOM 0 HA SER A 104 -30.483 -3.110 10.592 1.00 0.00 H new ATOM 0 HB2 SER A 104 -32.239 -2.853 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 104 -30.954 -3.507 8.085 1.00 0.00 H new ATOM 0 HG SER A 104 -31.926 -5.619 8.351 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.126 5.448 -17.672 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.680 7.346 -18.837 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.177 4.736 -20.901 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.695 3.368 -16.477 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.922 6.311 -14.461 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.810 5.937 -19.476 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.930 6.653 -19.781 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.172 6.635 -21.236 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.140 5.962 -21.836 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.290 5.539 -20.747 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.927 5.700 -23.326 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.386 7.221 -21.928 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.641 6.414 -21.629 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.354 4.938 -21.443 1.00 0.00 C HETATM 1652 O1A HEM A 105 -13.169 4.248 -20.803 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.295 4.464 -21.892 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.730 4.330 -18.498 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.450 4.156 -19.864 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.332 3.246 -20.061 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.961 2.813 -18.802 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.805 3.513 -17.862 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.786 2.789 -21.414 1.00 0.00 C HETATM 1660 CAB HEM A 105 -4.131 1.734 -18.418 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.869 1.390 -18.850 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.452 4.943 -15.866 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.456 4.027 -15.555 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.284 3.860 -14.095 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.206 4.698 -13.536 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.901 5.386 -14.632 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.279 2.886 -13.430 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.463 4.902 -12.171 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.438 5.009 -11.245 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.540 6.567 -16.809 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.700 6.862 -15.451 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.748 7.826 -15.243 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.199 8.146 -16.469 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.495 7.325 -17.447 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.283 8.348 -13.918 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.180 9.242 -16.802 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.582 8.687 -16.872 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.429 9.411 -17.890 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.058 10.546 -18.255 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.453 8.842 -18.342 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.893 5.642 -23.827 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.394 4.759 -23.457 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.342 6.512 -23.758 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.593 2.775 -22.146 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.367 1.787 -21.318 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.008 3.478 -21.744 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.126 2.023 -14.078 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.675 2.554 -12.470 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.328 3.395 -13.274 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.180 7.576 -13.155 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.335 8.611 -14.029 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.718 9.231 -13.620 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.372 0.512 -18.438 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.367 1.996 -19.604 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.669 5.167 -10.192 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.400 4.935 -11.570 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.354 6.542 -22.444 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.114 6.805 -20.728 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.216 7.246 -23.004 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.529 8.252 -21.604 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.051 8.763 -15.891 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.540 7.627 -17.124 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.915 9.700 -17.755 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.129 10.026 -16.047 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.485 7.961 -19.211 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.842 4.542 -21.909 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.949 2.680 -16.106 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.125 6.629 -13.449 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.556 1.072 -17.663 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.496 4.978 -11.831 1.00 0.00 H new