USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS :FLIP no HE2:sc= -0.921 F(o=-1.7,f=-0.92) USER MOD Single : A 3 MET CE :methyl -173:sc=-0.00273 (180deg=-0.053) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= 0.289 (180deg=-0.481) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.695 K(o=-0.69,f=-1.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 121:sc= -0.77 USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= -0.01 (180deg=-0.54) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -2.61! F(o=-4.8,f=-2.6!) USER MOD Single : A 29 SER OG : rot -37:sc= 0.64 USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0879 (180deg=-0.614) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 56:sc= -0.536 USER MOD Single : A 41 THR OG1 : rot -89:sc= -0.117 USER MOD Single : A 42 ASN : amide:sc=-0.00641 K(o=-0.0064,f=-2.2!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.258 F(o=-2.2!,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -111:sc= -0.215 (180deg=-2.24!) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -0.355 (180deg=-0.367) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -2.39 (180deg=-2.45) USER MOD Single : A 59 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-4.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0573 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 70 THR OG1 : rot 86:sc= 0.223 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 75.280 59.680 37.420 1.00 0.00 N ATOM 2 CA SER A 1 76.260 60.300 36.520 1.00 0.00 C ATOM 3 C SER A 1 76.940 61.450 37.180 1.00 0.00 C ATOM 4 O SER A 1 76.310 62.460 37.410 1.00 0.00 O ATOM 5 CB SER A 1 75.640 60.820 35.280 1.00 0.00 C ATOM 6 OG SER A 1 76.540 61.190 34.290 1.00 0.00 O ATOM 0 H1 SER A 1 74.821 58.882 36.936 1.00 0.00 H new ATOM 0 H2 SER A 1 75.763 59.336 38.274 1.00 0.00 H new ATOM 0 H3 SER A 1 74.561 60.383 37.688 1.00 0.00 H new ATOM 0 HA SER A 1 76.970 59.510 36.274 1.00 0.00 H new ATOM 0 HB2 SER A 1 74.972 60.059 34.878 1.00 0.00 H new ATOM 0 HB3 SER A 1 75.024 61.683 35.533 1.00 0.00 H new ATOM 0 HG SER A 1 76.049 61.519 33.508 1.00 0.00 H new ATOM 14 N HIS A 2 78.250 61.310 37.530 1.00 0.00 N ATOM 15 CA HIS A 2 78.980 62.510 37.860 1.00 0.00 C ATOM 16 C HIS A 2 80.020 62.740 36.790 1.00 0.00 C ATOM 17 O HIS A 2 80.840 61.890 36.490 1.00 0.00 O ATOM 18 CB HIS A 2 79.620 62.430 39.260 1.00 0.00 C ATOM 19 CG HIS A 2 80.360 63.690 39.640 1.00 0.00 C ATOM 20 ND1 HIS A 2 79.990 64.720 40.450 1.00 0.00 N flip ATOM 21 CD2 HIS A 2 81.620 64.000 39.160 1.00 0.00 C flip ATOM 22 CE1 HIS A 2 80.980 65.660 40.430 1.00 0.00 C flip ATOM 23 NE2 HIS A 2 81.970 65.170 39.690 1.00 0.00 N flip ATOM 0 H HIS A 2 78.769 60.433 37.582 1.00 0.00 H new ATOM 0 HA HIS A 2 78.290 63.353 37.894 1.00 0.00 H new ATOM 0 HB2 HIS A 2 78.843 62.234 39.999 1.00 0.00 H new ATOM 0 HB3 HIS A 2 80.309 61.586 39.291 1.00 0.00 H new ATOM 0 HD1 HIS A 2 79.121 64.779 40.981 1.00 0.00 H new ATOM 0 HD2 HIS A 2 82.211 63.403 38.481 1.00 0.00 H new ATOM 0 HE1 HIS A 2 80.962 66.621 40.923 1.00 0.00 H new ATOM 31 N MET A 3 79.900 63.930 36.220 1.00 0.00 N ATOM 32 CA MET A 3 80.920 64.660 35.490 1.00 0.00 C ATOM 33 C MET A 3 81.080 66.140 35.860 1.00 0.00 C ATOM 34 O MET A 3 81.480 66.880 34.970 1.00 0.00 O ATOM 35 CB MET A 3 80.570 64.510 34.030 1.00 0.00 C ATOM 36 CG MET A 3 79.290 65.210 33.620 1.00 0.00 C ATOM 37 SD MET A 3 78.990 65.090 31.840 1.00 0.00 S ATOM 38 CE MET A 3 80.010 66.410 31.320 1.00 0.00 C ATOM 0 H MET A 3 79.021 64.447 36.260 1.00 0.00 H new ATOM 0 HA MET A 3 81.890 64.237 35.751 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.392 64.900 33.430 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.481 63.449 33.797 1.00 0.00 H new ATOM 0 HG2 MET A 3 78.450 64.773 34.159 1.00 0.00 H new ATOM 0 HG3 MET A 3 79.343 66.260 33.908 1.00 0.00 H new ATOM 0 HE1 MET A 3 79.867 66.582 30.253 1.00 0.00 H new ATOM 0 HE2 MET A 3 79.746 67.313 31.871 1.00 0.00 H new ATOM 0 HE3 MET A 3 81.054 66.160 31.511 1.00 0.00 H new ATOM 48 N LYS A 4 80.710 66.600 37.060 1.00 0.00 N ATOM 49 CA LYS A 4 80.530 68.020 37.240 1.00 0.00 C ATOM 50 C LYS A 4 79.500 68.750 36.370 1.00 0.00 C ATOM 51 O LYS A 4 79.840 69.690 35.670 1.00 0.00 O ATOM 52 CB LYS A 4 81.880 68.700 37.150 1.00 0.00 C ATOM 53 CG LYS A 4 82.830 68.270 38.240 1.00 0.00 C ATOM 54 CD LYS A 4 82.390 68.770 39.600 1.00 0.00 C ATOM 55 CE LYS A 4 83.350 68.320 40.690 1.00 0.00 C ATOM 56 NZ LYS A 4 82.920 68.790 42.010 1.00 0.00 N ATOM 0 H LYS A 4 80.538 66.025 37.885 1.00 0.00 H new ATOM 0 HA LYS A 4 80.077 68.098 38.228 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.326 68.482 36.180 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.741 69.780 37.202 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.895 67.182 38.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.829 68.646 38.020 1.00 0.00 H new ATOM 0 HD2 LYS A 4 82.333 69.858 39.589 1.00 0.00 H new ATOM 0 HD3 LYS A 4 81.388 68.401 39.819 1.00 0.00 H new ATOM 0 HE2 LYS A 4 83.415 67.232 40.693 1.00 0.00 H new ATOM 0 HE3 LYS A 4 84.349 68.698 40.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 83.030 68.024 42.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 83.502 69.603 42.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 81.921 69.078 41.968 1.00 0.00 H new ATOM 70 N LEU A 5 78.240 68.310 36.310 1.00 0.00 N ATOM 71 CA LEU A 5 77.310 69.110 35.540 1.00 0.00 C ATOM 72 C LEU A 5 76.130 69.410 36.370 1.00 0.00 C ATOM 73 O LEU A 5 75.940 68.630 37.260 1.00 0.00 O ATOM 74 CB LEU A 5 76.980 68.440 34.210 1.00 0.00 C ATOM 75 CG LEU A 5 76.290 67.090 34.380 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.960 67.220 35.080 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.980 66.480 33.020 1.00 0.00 C ATOM 0 H LEU A 5 77.868 67.469 36.751 1.00 0.00 H new ATOM 0 HA LEU A 5 77.764 70.064 35.270 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.338 69.100 33.626 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.899 68.303 33.640 1.00 0.00 H new ATOM 0 HG LEU A 5 76.974 66.474 34.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.504 66.235 35.180 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.110 67.652 36.069 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.304 67.867 34.497 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.488 65.517 33.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.323 67.148 32.463 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.907 66.338 32.465 1.00 0.00 H new ATOM 89 N VAL A 6 75.340 70.330 35.930 1.00 0.00 N ATOM 90 CA VAL A 6 74.030 70.600 36.490 1.00 0.00 C ATOM 91 C VAL A 6 72.950 70.480 35.440 1.00 0.00 C ATOM 92 O VAL A 6 73.010 71.160 34.420 1.00 0.00 O ATOM 93 CB VAL A 6 74.010 71.980 37.110 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.590 72.340 37.550 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.940 72.010 38.300 1.00 0.00 C ATOM 0 H VAL A 6 75.581 70.940 35.149 1.00 0.00 H new ATOM 0 HA VAL A 6 73.828 69.857 37.262 1.00 0.00 H new ATOM 0 HB VAL A 6 74.342 72.709 36.371 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.588 73.335 37.995 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.927 72.328 36.685 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.242 71.614 38.284 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.926 73.004 38.747 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.613 71.276 39.036 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.953 71.772 37.976 1.00 0.00 H new ATOM 105 N LEU A 7 71.940 69.640 35.660 1.00 0.00 N ATOM 106 CA LEU A 7 70.920 69.400 34.620 1.00 0.00 C ATOM 107 C LEU A 7 69.750 70.300 34.940 1.00 0.00 C ATOM 108 O LEU A 7 69.430 70.430 36.080 1.00 0.00 O ATOM 109 CB LEU A 7 70.500 67.900 34.590 1.00 0.00 C ATOM 110 CG LEU A 7 71.610 66.920 34.210 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.160 65.480 34.410 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.020 67.090 32.780 1.00 0.00 C ATOM 0 H LEU A 7 71.800 69.120 36.527 1.00 0.00 H new ATOM 0 HA LEU A 7 71.311 69.626 33.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.117 67.627 35.573 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.678 67.784 33.884 1.00 0.00 H new ATOM 0 HG LEU A 7 72.457 67.137 34.861 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.969 64.804 34.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.899 65.322 35.456 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.290 65.281 33.785 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.811 66.379 32.541 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.162 66.910 32.132 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.386 68.105 32.625 1.00 0.00 H new ATOM 124 N ALA A 8 69.040 70.890 33.960 1.00 0.00 N ATOM 125 CA ALA A 8 67.700 71.470 34.010 1.00 0.00 C ATOM 126 C ALA A 8 66.560 70.520 34.380 1.00 0.00 C ATOM 127 O ALA A 8 66.450 69.410 33.860 1.00 0.00 O ATOM 128 CB ALA A 8 67.430 72.070 32.630 1.00 0.00 C ATOM 0 H ALA A 8 69.437 70.977 33.024 1.00 0.00 H new ATOM 0 HA ALA A 8 67.706 72.199 34.820 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.436 72.518 32.616 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.176 72.835 32.414 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.485 71.286 31.875 1.00 0.00 H new ATOM 134 N LYS A 9 65.620 71.030 35.220 1.00 0.00 N ATOM 135 CA LYS A 9 64.370 70.380 35.540 1.00 0.00 C ATOM 136 C LYS A 9 63.450 70.200 34.370 1.00 0.00 C ATOM 137 O LYS A 9 62.850 69.160 34.250 1.00 0.00 O ATOM 138 CB LYS A 9 63.680 71.220 36.610 1.00 0.00 C ATOM 139 CG LYS A 9 62.360 70.590 37.040 1.00 0.00 C ATOM 140 CD LYS A 9 61.700 71.420 38.140 1.00 0.00 C ATOM 141 CE LYS A 9 60.390 70.740 38.510 1.00 0.00 C ATOM 142 NZ LYS A 9 59.720 71.540 39.570 1.00 0.00 N ATOM 0 H LYS A 9 65.736 71.927 35.692 1.00 0.00 H new ATOM 0 HA LYS A 9 64.600 69.372 35.884 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.336 71.322 37.475 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.499 72.224 36.227 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.691 70.515 36.183 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.535 69.575 37.398 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.353 71.491 39.010 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.518 72.438 37.794 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.746 70.659 37.634 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.577 69.726 38.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.822 71.086 39.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.337 71.596 40.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.532 72.499 39.214 1.00 0.00 H new ATOM 156 N ASN A 10 63.290 71.230 33.530 1.00 0.00 N ATOM 157 CA ASN A 10 62.210 71.300 32.590 1.00 0.00 C ATOM 158 C ASN A 10 62.350 70.180 31.590 1.00 0.00 C ATOM 159 O ASN A 10 61.360 69.530 31.330 1.00 0.00 O ATOM 160 CB ASN A 10 62.200 72.660 31.880 1.00 0.00 C ATOM 161 CG ASN A 10 61.730 73.780 32.790 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.170 73.540 33.840 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.890 75.010 32.370 1.00 0.00 N ATOM 0 H ASN A 10 63.919 72.032 33.498 1.00 0.00 H new ATOM 0 HA ASN A 10 61.264 71.193 33.120 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.203 72.886 31.517 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.550 72.607 31.007 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.541 75.789 32.928 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.364 75.189 31.485 1.00 0.00 H new ATOM 170 N THR A 11 63.550 69.900 31.050 1.00 0.00 N ATOM 171 CA THR A 11 63.590 68.790 30.110 1.00 0.00 C ATOM 172 C THR A 11 63.290 67.450 30.770 1.00 0.00 C ATOM 173 O THR A 11 62.540 66.640 30.230 1.00 0.00 O ATOM 174 CB THR A 11 64.950 68.730 29.460 1.00 0.00 C ATOM 175 OG1 THR A 11 64.990 69.930 28.790 1.00 0.00 O ATOM 176 CG2 THR A 11 65.010 67.550 28.510 1.00 0.00 C ATOM 0 H THR A 11 64.429 70.384 31.232 1.00 0.00 H new ATOM 0 HA THR A 11 62.813 68.969 29.366 1.00 0.00 H new ATOM 0 HB THR A 11 65.786 68.595 30.146 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.845 70.013 28.318 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.994 67.509 28.042 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.833 66.628 29.064 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.246 67.663 27.740 1.00 0.00 H new ATOM 184 N ARG A 12 63.890 67.250 31.950 1.00 0.00 N ATOM 185 CA ARG A 12 64.080 65.940 32.580 1.00 0.00 C ATOM 186 C ARG A 12 63.180 65.580 33.760 1.00 0.00 C ATOM 187 O ARG A 12 62.830 64.450 34.000 1.00 0.00 O ATOM 188 CB ARG A 12 65.550 65.850 32.970 1.00 0.00 C ATOM 189 CG ARG A 12 65.880 64.520 33.640 1.00 0.00 C ATOM 190 CD ARG A 12 67.380 64.340 33.770 1.00 0.00 C ATOM 191 NE ARG A 12 67.880 65.310 34.760 1.00 0.00 N ATOM 192 CZ ARG A 12 68.050 65.030 36.030 1.00 0.00 C ATOM 193 NH1 ARG A 12 67.710 63.850 36.470 1.00 0.00 N ATOM 194 NH2 ARG A 12 68.480 65.930 36.860 1.00 0.00 N ATOM 0 H ARG A 12 64.267 68.017 32.507 1.00 0.00 H new ATOM 0 HA ARG A 12 63.776 65.200 31.840 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.170 65.973 32.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 65.797 66.668 33.646 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.418 64.480 34.626 1.00 0.00 H new ATOM 0 HG3 ARG A 12 65.460 63.700 33.057 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.614 63.323 34.084 1.00 0.00 H new ATOM 0 HD3 ARG A 12 67.866 64.496 32.807 1.00 0.00 H new ATOM 0 HE ARG A 12 68.107 66.252 34.440 1.00 0.00 H new ATOM 0 HH11 ARG A 12 67.318 63.160 35.829 1.00 0.00 H new ATOM 0 HH12 ARG A 12 67.836 63.617 37.455 1.00 0.00 H new ATOM 0 HH21 ARG A 12 68.691 66.871 36.528 1.00 0.00 H new ATOM 0 HH22 ARG A 12 68.607 65.696 37.845 1.00 0.00 H new ATOM 208 N LYS A 13 62.850 66.590 34.560 1.00 0.00 N ATOM 209 CA LYS A 13 61.820 66.590 35.590 1.00 0.00 C ATOM 210 C LYS A 13 62.020 65.510 36.610 1.00 0.00 C ATOM 211 O LYS A 13 61.070 64.850 36.980 1.00 0.00 O ATOM 212 CB LYS A 13 60.460 66.480 34.900 1.00 0.00 C ATOM 213 CG LYS A 13 60.130 67.730 34.090 1.00 0.00 C ATOM 214 CD LYS A 13 58.770 67.570 33.440 1.00 0.00 C ATOM 215 CE LYS A 13 58.400 68.790 32.630 1.00 0.00 C ATOM 216 NZ LYS A 13 57.070 68.670 31.990 1.00 0.00 N ATOM 0 H LYS A 13 63.328 67.489 34.500 1.00 0.00 H new ATOM 0 HA LYS A 13 61.878 67.522 36.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 60.456 65.610 34.243 1.00 0.00 H new ATOM 0 HB3 LYS A 13 59.685 66.318 35.649 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.134 68.607 34.738 1.00 0.00 H new ATOM 0 HG3 LYS A 13 60.892 67.893 33.328 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.774 66.691 32.796 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.016 67.399 34.208 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.409 69.667 33.277 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.155 68.953 31.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.867 69.534 31.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.065 67.850 31.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.343 68.542 32.722 1.00 0.00 H new ATOM 230 N SER A 14 63.270 65.340 37.100 1.00 0.00 N ATOM 231 CA SER A 14 63.410 64.580 38.330 1.00 0.00 C ATOM 232 C SER A 14 63.380 65.410 39.610 1.00 0.00 C ATOM 233 O SER A 14 62.340 65.650 40.190 1.00 0.00 O ATOM 234 CB SER A 14 64.650 63.740 38.210 1.00 0.00 C ATOM 235 OG SER A 14 65.790 64.540 38.090 1.00 0.00 O ATOM 0 H SER A 14 64.132 65.697 36.686 1.00 0.00 H new ATOM 0 HA SER A 14 62.528 63.948 38.439 1.00 0.00 H new ATOM 0 HB2 SER A 14 64.744 63.097 39.085 1.00 0.00 H new ATOM 0 HB3 SER A 14 64.568 63.086 37.342 1.00 0.00 H new ATOM 0 HG SER A 14 66.407 64.343 38.826 1.00 0.00 H new ATOM 241 N ASP A 15 64.510 66.000 39.970 1.00 0.00 N ATOM 242 CA ASP A 15 64.660 67.060 40.970 1.00 0.00 C ATOM 243 C ASP A 15 65.480 68.280 40.530 1.00 0.00 C ATOM 244 O ASP A 15 65.580 69.240 41.300 1.00 0.00 O ATOM 245 CB ASP A 15 65.330 66.480 42.200 1.00 0.00 C ATOM 246 CG ASP A 15 66.700 65.960 41.920 1.00 0.00 C ATOM 247 OD1 ASP A 15 66.980 65.850 40.650 1.00 0.00 O ATOM 248 OD2 ASP A 15 67.370 65.640 42.830 1.00 0.00 O ATOM 0 H ASP A 15 65.403 65.740 39.550 1.00 0.00 H new ATOM 0 HA ASP A 15 63.648 67.420 41.153 1.00 0.00 H new ATOM 0 HB2 ASP A 15 65.388 67.247 42.972 1.00 0.00 H new ATOM 0 HB3 ASP A 15 64.714 65.673 42.597 1.00 0.00 H new ATOM 253 N ALA A 16 65.970 68.360 39.290 1.00 0.00 N ATOM 254 CA ALA A 16 67.310 68.860 39.020 1.00 0.00 C ATOM 255 C ALA A 16 67.380 70.260 39.570 1.00 0.00 C ATOM 256 O ALA A 16 68.430 70.640 40.020 1.00 0.00 O ATOM 257 CB ALA A 16 67.620 68.830 37.540 1.00 0.00 C ATOM 0 H ALA A 16 65.451 68.082 38.457 1.00 0.00 H new ATOM 0 HA ALA A 16 68.058 68.227 39.498 1.00 0.00 H new ATOM 0 HB1 ALA A 16 68.628 69.210 37.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.553 67.805 37.175 1.00 0.00 H new ATOM 0 HB3 ALA A 16 66.903 69.454 37.005 1.00 0.00 H new ATOM 263 N LYS A 17 66.290 71.080 39.470 1.00 0.00 N ATOM 264 CA LYS A 17 66.490 72.480 39.710 1.00 0.00 C ATOM 265 C LYS A 17 66.650 72.890 41.110 1.00 0.00 C ATOM 266 O LYS A 17 65.950 73.810 41.440 1.00 0.00 O ATOM 267 CB LYS A 17 65.500 73.280 38.870 1.00 0.00 C ATOM 268 CG LYS A 17 65.950 74.730 38.690 1.00 0.00 C ATOM 269 CD LYS A 17 64.930 75.490 37.850 1.00 0.00 C ATOM 270 CE LYS A 17 65.400 76.920 37.610 1.00 0.00 C ATOM 271 NZ LYS A 17 66.570 76.920 36.700 1.00 0.00 N ATOM 0 H LYS A 17 65.339 70.791 39.239 1.00 0.00 H new ATOM 0 HA LYS A 17 67.492 72.734 39.362 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.389 72.810 37.893 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.520 73.260 39.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.062 75.209 39.663 1.00 0.00 H new ATOM 0 HG3 LYS A 17 66.926 74.759 38.206 1.00 0.00 H new ATOM 0 HD2 LYS A 17 64.785 74.983 36.896 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.965 75.498 38.357 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.592 77.510 37.178 1.00 0.00 H new ATOM 0 HE3 LYS A 17 65.665 77.389 38.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 67.428 77.158 37.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 66.678 75.978 36.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 66.426 77.625 35.949 1.00 0.00 H new ATOM 285 N SER A 18 67.560 72.370 41.870 1.00 0.00 N ATOM 286 CA SER A 18 68.280 72.950 43.020 1.00 0.00 C ATOM 287 C SER A 18 69.820 73.000 42.980 1.00 0.00 C ATOM 288 O SER A 18 70.430 73.860 43.630 1.00 0.00 O ATOM 289 CB SER A 18 67.920 72.140 44.260 1.00 0.00 C ATOM 290 OG SER A 18 68.300 70.790 44.110 1.00 0.00 O ATOM 0 H SER A 18 67.872 71.414 41.700 1.00 0.00 H new ATOM 0 HA SER A 18 67.959 73.992 43.010 1.00 0.00 H new ATOM 0 HB2 SER A 18 68.415 72.566 45.133 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.847 72.202 44.440 1.00 0.00 H new ATOM 0 HG SER A 18 68.060 70.291 44.919 1.00 0.00 H new ATOM 296 N VAL A 19 70.400 72.120 42.180 1.00 0.00 N ATOM 297 CA VAL A 19 71.710 71.490 42.360 1.00 0.00 C ATOM 298 C VAL A 19 72.890 72.430 42.250 1.00 0.00 C ATOM 299 O VAL A 19 73.860 72.300 42.970 1.00 0.00 O ATOM 300 CB VAL A 19 71.830 70.400 41.330 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.180 69.820 41.320 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.810 69.320 41.570 1.00 0.00 C ATOM 0 H VAL A 19 69.941 71.801 41.327 1.00 0.00 H new ATOM 0 HA VAL A 19 71.750 71.111 43.381 1.00 0.00 H new ATOM 0 HB VAL A 19 71.642 70.851 40.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.233 69.036 40.565 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.908 70.597 41.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.401 69.396 42.300 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.917 68.544 40.812 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.965 68.887 42.558 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.808 69.746 41.514 1.00 0.00 H new ATOM 312 N GLU A 20 72.770 73.390 41.330 1.00 0.00 N ATOM 313 CA GLU A 20 73.770 74.390 41.100 1.00 0.00 C ATOM 314 C GLU A 20 74.080 75.170 42.340 1.00 0.00 C ATOM 315 O GLU A 20 75.220 75.360 42.690 1.00 0.00 O ATOM 316 CB GLU A 20 73.260 75.340 40.040 1.00 0.00 C ATOM 317 CG GLU A 20 71.890 75.930 40.310 1.00 0.00 C ATOM 318 CD GLU A 20 71.460 76.940 39.260 1.00 0.00 C ATOM 319 OE1 GLU A 20 72.280 77.470 38.510 1.00 0.00 O ATOM 320 OE2 GLU A 20 70.270 77.280 39.150 1.00 0.00 O ATOM 0 H GLU A 20 71.955 73.480 40.723 1.00 0.00 H new ATOM 0 HA GLU A 20 74.686 73.891 40.782 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.975 76.156 39.931 1.00 0.00 H new ATOM 0 HB3 GLU A 20 73.230 74.813 39.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 71.156 75.125 40.354 1.00 0.00 H new ATOM 0 HG3 GLU A 20 71.894 76.411 41.288 1.00 0.00 H new ATOM 327 N LEU A 21 73.020 75.580 43.060 1.00 0.00 N ATOM 328 CA LEU A 21 73.200 76.520 44.120 1.00 0.00 C ATOM 329 C LEU A 21 74.020 75.870 45.210 1.00 0.00 C ATOM 330 O LEU A 21 74.920 76.490 45.760 1.00 0.00 O ATOM 331 CB LEU A 21 71.820 76.980 44.620 1.00 0.00 C ATOM 332 CG LEU A 21 71.020 77.740 43.560 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.630 78.020 44.070 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.690 79.060 43.220 1.00 0.00 C ATOM 0 H LEU A 21 72.060 75.269 42.913 1.00 0.00 H new ATOM 0 HA LEU A 21 73.738 77.404 43.779 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.249 76.110 44.943 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.951 77.618 45.494 1.00 0.00 H new ATOM 0 HG LEU A 21 70.974 77.121 42.664 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.066 78.561 43.310 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.128 77.079 44.293 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.689 78.623 44.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.103 79.582 42.464 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.757 79.676 44.117 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.692 78.871 42.834 1.00 0.00 H new ATOM 346 N GLU A 22 73.660 74.660 45.580 1.00 0.00 N ATOM 347 CA GLU A 22 74.370 73.800 46.520 1.00 0.00 C ATOM 348 C GLU A 22 75.760 73.340 46.050 1.00 0.00 C ATOM 349 O GLU A 22 76.670 73.340 46.860 1.00 0.00 O ATOM 350 CB GLU A 22 73.480 72.600 46.770 1.00 0.00 C ATOM 351 CG GLU A 22 74.120 71.710 47.830 1.00 0.00 C ATOM 352 CD GLU A 22 73.350 70.530 48.110 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.260 70.450 47.550 1.00 0.00 O ATOM 354 OE2 GLU A 22 73.710 69.630 48.930 1.00 0.00 O ATOM 0 H GLU A 22 72.816 74.219 45.215 1.00 0.00 H new ATOM 0 HA GLU A 22 74.566 74.377 47.423 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.494 72.927 47.100 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.337 72.040 45.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 75.116 71.417 47.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 74.246 72.282 48.749 1.00 0.00 H new ATOM 361 N ASP A 23 75.900 73.030 44.750 1.00 0.00 N ATOM 362 CA ASP A 23 77.180 72.610 44.180 1.00 0.00 C ATOM 363 C ASP A 23 78.140 73.750 44.200 1.00 0.00 C ATOM 364 O ASP A 23 79.290 73.530 44.520 1.00 0.00 O ATOM 365 CB ASP A 23 77.040 72.120 42.730 1.00 0.00 C ATOM 366 CG ASP A 23 76.380 70.810 42.700 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.260 70.300 43.890 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.080 70.300 41.670 1.00 0.00 O ATOM 0 H ASP A 23 75.135 73.064 44.076 1.00 0.00 H new ATOM 0 HA ASP A 23 77.543 71.783 44.790 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.463 72.840 42.149 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.023 72.051 42.265 1.00 0.00 H new ATOM 373 N LEU A 24 77.690 74.970 43.970 1.00 0.00 N ATOM 374 CA LEU A 24 78.580 76.120 44.050 1.00 0.00 C ATOM 375 C LEU A 24 79.250 76.170 45.410 1.00 0.00 C ATOM 376 O LEU A 24 80.470 76.210 45.520 1.00 0.00 O ATOM 377 CB LEU A 24 77.820 77.420 43.780 1.00 0.00 C ATOM 378 CG LEU A 24 77.420 77.600 42.320 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.540 78.840 42.160 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.640 77.730 41.450 1.00 0.00 C ATOM 0 H LEU A 24 76.724 75.192 43.729 1.00 0.00 H new ATOM 0 HA LEU A 24 79.348 76.013 43.284 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.923 77.442 44.399 1.00 0.00 H new ATOM 0 HB3 LEU A 24 78.439 78.263 44.085 1.00 0.00 H new ATOM 0 HG LEU A 24 76.857 76.719 42.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.262 78.956 41.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.640 78.728 42.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 77.090 79.722 42.489 1.00 0.00 H new ATOM 0 HD21 LEU A 24 78.334 77.858 40.412 1.00 0.00 H new ATOM 0 HD22 LEU A 24 79.222 78.596 41.766 1.00 0.00 H new ATOM 0 HD23 LEU A 24 79.249 76.831 41.541 1.00 0.00 H new ATOM 392 N TYR A 25 78.440 76.210 46.490 1.00 0.00 N ATOM 393 CA TYR A 25 78.960 76.310 47.850 1.00 0.00 C ATOM 394 C TYR A 25 79.830 75.080 48.100 1.00 0.00 C ATOM 395 O TYR A 25 80.950 75.190 48.600 1.00 0.00 O ATOM 396 CB TYR A 25 77.830 76.420 48.880 1.00 0.00 C ATOM 397 CG TYR A 25 78.370 76.670 50.270 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.710 75.610 51.090 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.570 77.970 50.760 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.210 75.780 52.340 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.060 78.180 52.050 1.00 0.00 C ATOM 402 CZ TYR A 25 79.390 77.030 52.740 1.00 0.00 C ATOM 403 OH TYR A 25 79.910 76.960 53.970 1.00 0.00 O ATOM 0 H TYR A 25 77.422 76.174 46.435 1.00 0.00 H new ATOM 0 HA TYR A 25 79.553 77.218 47.959 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.157 77.230 48.599 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.242 75.502 48.876 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.572 74.605 50.720 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.342 78.818 50.131 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.449 74.940 52.976 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.172 79.166 52.476 1.00 0.00 H new ATOM 0 HH TYR A 25 80.064 77.865 54.312 1.00 0.00 H new ATOM 413 N HIS A 26 79.310 73.910 47.740 1.00 0.00 N ATOM 414 CA HIS A 26 80.000 72.710 48.090 1.00 0.00 C ATOM 415 C HIS A 26 81.300 72.420 47.390 1.00 0.00 C ATOM 416 O HIS A 26 82.290 72.060 48.000 1.00 0.00 O ATOM 417 CB HIS A 26 79.070 71.530 48.030 1.00 0.00 C ATOM 418 CG HIS A 26 77.950 71.510 49.040 1.00 0.00 C ATOM 419 ND1 HIS A 26 77.800 72.240 50.160 1.00 0.00 N flip ATOM 420 CD2 HIS A 26 76.860 70.680 48.970 1.00 0.00 C flip ATOM 421 CE1 HIS A 26 76.620 71.910 50.760 1.00 0.00 C flip ATOM 422 NE2 HIS A 26 76.080 70.960 50.000 1.00 0.00 N flip ATOM 0 H HIS A 26 78.440 73.785 47.223 1.00 0.00 H new ATOM 0 HA HIS A 26 80.324 72.897 49.114 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.632 71.490 47.033 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.660 70.622 48.156 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.673 69.934 48.212 1.00 0.00 H new ATOM 0 HE1 HIS A 26 76.209 72.332 51.665 1.00 0.00 H new ATOM 0 HE2 HIS A 26 75.185 70.509 50.187 1.00 0.00 H new ATOM 430 N GLU A 27 81.240 72.590 46.060 1.00 0.00 N ATOM 431 CA GLU A 27 82.370 72.390 45.200 1.00 0.00 C ATOM 432 C GLU A 27 83.420 73.340 45.610 1.00 0.00 C ATOM 433 O GLU A 27 84.530 72.920 45.820 1.00 0.00 O ATOM 434 CB GLU A 27 82.110 72.470 43.720 1.00 0.00 C ATOM 435 CG GLU A 27 81.160 71.380 43.250 1.00 0.00 C ATOM 436 CD GLU A 27 80.920 71.430 41.770 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.990 72.530 41.180 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.620 70.380 41.190 1.00 0.00 O ATOM 0 H GLU A 27 80.392 72.872 45.568 1.00 0.00 H new ATOM 0 HA GLU A 27 82.678 71.353 45.331 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.690 73.446 43.478 1.00 0.00 H new ATOM 0 HB3 GLU A 27 83.054 72.386 43.181 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.569 70.405 43.516 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.209 71.480 43.773 1.00 0.00 H new ATOM 445 N PHE A 28 83.070 74.610 45.840 1.00 0.00 N ATOM 446 CA PHE A 28 84.140 75.540 46.120 1.00 0.00 C ATOM 447 C PHE A 28 84.810 75.230 47.450 1.00 0.00 C ATOM 448 O PHE A 28 86.010 75.450 47.590 1.00 0.00 O ATOM 449 CB PHE A 28 83.640 76.980 46.060 1.00 0.00 C ATOM 450 CG PHE A 28 83.520 77.640 47.420 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.670 77.980 48.140 1.00 0.00 C ATOM 452 CD2 PHE A 28 82.260 77.850 47.980 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.570 78.520 49.410 1.00 0.00 C ATOM 454 CE2 PHE A 28 82.140 78.410 49.250 1.00 0.00 C ATOM 455 CZ PHE A 28 83.310 78.720 49.910 1.00 0.00 C ATOM 0 H PHE A 28 82.123 74.988 45.837 1.00 0.00 H new ATOM 0 HA PHE A 28 84.898 75.423 45.346 1.00 0.00 H new ATOM 0 HB2 PHE A 28 84.319 77.566 45.440 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.666 76.997 45.570 1.00 0.00 H new ATOM 0 HD1 PHE A 28 85.644 77.820 47.701 1.00 0.00 H new ATOM 0 HD2 PHE A 28 81.373 77.577 47.427 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.449 78.774 49.984 1.00 0.00 H new ATOM 0 HE2 PHE A 28 81.174 78.593 49.697 1.00 0.00 H new ATOM 0 HZ PHE A 28 83.227 79.153 50.896 1.00 0.00 H new ATOM 465 N SER A 29 84.060 74.860 48.500 1.00 0.00 N ATOM 466 CA SER A 29 84.610 74.560 49.790 1.00 0.00 C ATOM 467 C SER A 29 85.520 73.360 49.800 1.00 0.00 C ATOM 468 O SER A 29 86.550 73.420 50.460 1.00 0.00 O ATOM 469 CB SER A 29 83.480 74.320 50.760 1.00 0.00 C ATOM 470 OG SER A 29 82.800 73.180 50.380 1.00 0.00 O ATOM 0 H SER A 29 83.045 74.766 48.455 1.00 0.00 H new ATOM 0 HA SER A 29 85.217 75.418 50.077 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.869 74.207 51.772 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.805 75.176 50.772 1.00 0.00 H new ATOM 0 HG SER A 29 82.754 73.137 49.402 1.00 0.00 H new ATOM 476 N GLU A 30 85.080 72.300 49.080 1.00 0.00 N ATOM 477 CA GLU A 30 85.750 71.050 49.080 1.00 0.00 C ATOM 478 C GLU A 30 86.900 70.980 48.100 1.00 0.00 C ATOM 479 O GLU A 30 87.940 70.410 48.380 1.00 0.00 O ATOM 480 CB GLU A 30 84.760 69.950 48.760 1.00 0.00 C ATOM 481 CG GLU A 30 83.760 69.780 49.900 1.00 0.00 C ATOM 482 CD GLU A 30 82.750 68.690 49.580 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.890 68.000 48.530 1.00 0.00 O ATOM 484 OE2 GLU A 30 82.010 68.380 50.550 1.00 0.00 O ATOM 0 H GLU A 30 84.246 72.324 48.494 1.00 0.00 H new ATOM 0 HA GLU A 30 86.174 70.924 50.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.231 70.187 47.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.291 69.013 48.592 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.290 69.531 50.819 1.00 0.00 H new ATOM 0 HG3 GLU A 30 83.240 70.722 50.076 1.00 0.00 H new ATOM 491 N ASP A 31 86.690 71.570 46.900 1.00 0.00 N ATOM 492 CA ASP A 31 87.550 71.410 45.730 1.00 0.00 C ATOM 493 C ASP A 31 87.730 72.700 44.910 1.00 0.00 C ATOM 494 O ASP A 31 86.930 73.620 45.020 1.00 0.00 O ATOM 495 CB ASP A 31 86.970 70.290 44.850 1.00 0.00 C ATOM 496 CG ASP A 31 85.570 70.590 44.410 1.00 0.00 C ATOM 497 OD1 ASP A 31 85.380 71.490 43.690 1.00 0.00 O ATOM 498 OD2 ASP A 31 84.710 69.690 44.740 1.00 0.00 O ATOM 0 H ASP A 31 85.894 72.184 46.726 1.00 0.00 H new ATOM 0 HA ASP A 31 88.547 71.152 46.087 1.00 0.00 H new ATOM 0 HB2 ASP A 31 87.604 70.152 43.974 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.983 69.351 45.403 1.00 0.00 H new ATOM 503 N LYS A 32 88.780 72.850 44.030 1.00 0.00 N ATOM 504 CA LYS A 32 88.700 73.920 43.030 1.00 0.00 C ATOM 505 C LYS A 32 88.640 73.530 41.540 1.00 0.00 C ATOM 506 O LYS A 32 89.530 72.890 41.000 1.00 0.00 O ATOM 507 CB LYS A 32 89.820 74.890 43.320 1.00 0.00 C ATOM 508 CG LYS A 32 91.190 74.260 43.100 1.00 0.00 C ATOM 509 CD LYS A 32 92.270 75.280 43.350 1.00 0.00 C ATOM 510 CE LYS A 32 93.600 74.660 43.120 1.00 0.00 C ATOM 511 NZ LYS A 32 93.840 73.520 44.000 1.00 0.00 N ATOM 0 H LYS A 32 89.624 72.277 44.007 1.00 0.00 H new ATOM 0 HA LYS A 32 87.712 74.364 43.151 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.716 75.766 42.680 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.742 75.237 44.350 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.320 73.409 43.768 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.266 73.880 42.081 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.137 76.136 42.688 1.00 0.00 H new ATOM 0 HD3 LYS A 32 92.203 75.653 44.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.673 74.336 42.082 1.00 0.00 H new ATOM 0 HE3 LYS A 32 94.378 75.407 43.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.860 73.323 44.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.490 73.738 44.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.341 72.685 43.631 1.00 0.00 H new ATOM 525 N ARG A 33 87.500 73.800 40.860 1.00 0.00 N ATOM 526 CA ARG A 33 86.880 72.840 39.960 1.00 0.00 C ATOM 527 C ARG A 33 85.970 73.600 39.050 1.00 0.00 C ATOM 528 O ARG A 33 85.890 74.820 39.100 1.00 0.00 O ATOM 529 CB ARG A 33 86.140 71.720 40.710 1.00 0.00 C ATOM 530 CG ARG A 33 87.040 70.640 41.330 1.00 0.00 C ATOM 531 CD ARG A 33 87.650 69.760 40.240 1.00 0.00 C ATOM 532 NE ARG A 33 88.600 70.500 39.410 1.00 0.00 N ATOM 533 CZ ARG A 33 89.210 70.030 38.350 1.00 0.00 C ATOM 534 NH1 ARG A 33 89.070 68.780 38.050 1.00 0.00 N ATOM 535 NH2 ARG A 33 90.010 70.790 37.650 1.00 0.00 N ATOM 0 H ARG A 33 87.000 74.686 40.929 1.00 0.00 H new ATOM 0 HA ARG A 33 87.651 72.329 39.382 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.541 72.170 41.502 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.446 71.240 40.020 1.00 0.00 H new ATOM 0 HG2 ARG A 33 87.833 71.110 41.912 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.459 70.026 42.019 1.00 0.00 H new ATOM 0 HD2 ARG A 33 88.155 68.910 40.700 1.00 0.00 H new ATOM 0 HD3 ARG A 33 86.856 69.357 39.612 1.00 0.00 H new ATOM 0 HE ARG A 33 88.805 71.462 39.679 1.00 0.00 H new ATOM 0 HH11 ARG A 33 88.492 68.177 38.635 1.00 0.00 H new ATOM 0 HH12 ARG A 33 89.538 68.397 37.228 1.00 0.00 H new ATOM 0 HH21 ARG A 33 90.165 71.759 37.927 1.00 0.00 H new ATOM 0 HH22 ARG A 33 90.480 70.414 36.827 1.00 0.00 H new ATOM 549 N SER A 34 85.330 72.950 38.110 1.00 0.00 N ATOM 550 CA SER A 34 84.540 73.650 37.130 1.00 0.00 C ATOM 551 C SER A 34 83.530 72.690 36.540 1.00 0.00 C ATOM 552 O SER A 34 83.710 71.480 36.610 1.00 0.00 O ATOM 553 CB SER A 34 85.500 74.140 36.110 1.00 0.00 C ATOM 554 OG SER A 34 86.100 73.160 35.370 1.00 0.00 O ATOM 0 H SER A 34 85.341 71.936 38.003 1.00 0.00 H new ATOM 0 HA SER A 34 83.981 74.486 37.550 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.977 74.817 35.435 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.273 74.723 36.610 1.00 0.00 H new ATOM 0 HG SER A 34 86.713 73.568 34.723 1.00 0.00 H new ATOM 560 N ILE A 35 82.460 73.220 35.960 1.00 0.00 N ATOM 561 CA ILE A 35 81.280 72.470 35.620 1.00 0.00 C ATOM 562 C ILE A 35 80.730 72.930 34.270 1.00 0.00 C ATOM 563 O ILE A 35 81.130 73.930 33.680 1.00 0.00 O ATOM 564 CB ILE A 35 80.210 72.590 36.720 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.790 74.030 36.890 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.760 72.150 38.070 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.670 74.100 37.930 1.00 0.00 C ATOM 0 H ILE A 35 82.398 74.207 35.711 1.00 0.00 H new ATOM 0 HA ILE A 35 81.555 71.418 35.541 1.00 0.00 H new ATOM 0 HB ILE A 35 79.375 71.960 36.415 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.639 74.635 37.209 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.447 74.438 35.939 1.00 0.00 H new ATOM 0 HG21 ILE A 35 79.983 72.245 38.828 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.083 71.111 38.010 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.609 72.779 38.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.359 75.136 38.061 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.821 73.506 37.591 1.00 0.00 H new ATOM 0 HD13 ILE A 35 79.031 73.707 38.880 1.00 0.00 H new ATOM 579 N PHE A 36 79.780 72.140 33.810 1.00 0.00 N ATOM 580 CA PHE A 36 78.960 72.350 32.640 1.00 0.00 C ATOM 581 C PHE A 36 77.530 72.460 33.150 1.00 0.00 C ATOM 582 O PHE A 36 77.090 71.590 33.900 1.00 0.00 O ATOM 583 CB PHE A 36 79.110 71.160 31.710 1.00 0.00 C ATOM 584 CG PHE A 36 80.320 71.270 30.850 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.520 70.730 31.320 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.260 71.860 29.580 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.660 70.800 30.580 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.440 71.980 28.840 1.00 0.00 C ATOM 589 CZ PHE A 36 82.640 71.530 29.400 1.00 0.00 C ATOM 0 H PHE A 36 79.546 71.268 34.284 1.00 0.00 H new ATOM 0 HA PHE A 36 79.244 73.244 32.085 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.167 70.245 32.299 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.224 71.079 31.080 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.543 70.249 32.287 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.321 72.215 29.181 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.560 70.299 30.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.425 72.414 27.851 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.572 71.756 28.903 1.00 0.00 H new ATOM 599 N TYR A 37 76.780 73.420 32.710 1.00 0.00 N ATOM 600 CA TYR A 37 75.340 73.350 32.970 1.00 0.00 C ATOM 601 C TYR A 37 74.670 72.910 31.730 1.00 0.00 C ATOM 602 O TYR A 37 74.940 73.490 30.710 1.00 0.00 O ATOM 603 CB TYR A 37 74.780 74.670 33.420 1.00 0.00 C ATOM 604 CG TYR A 37 75.030 74.940 34.850 1.00 0.00 C ATOM 605 CD1 TYR A 37 76.290 74.810 35.310 1.00 0.00 C ATOM 606 CD2 TYR A 37 74.020 75.310 35.720 1.00 0.00 C ATOM 607 CE1 TYR A 37 76.450 75.140 36.610 1.00 0.00 C ATOM 608 CE2 TYR A 37 74.280 75.550 37.070 1.00 0.00 C ATOM 609 CZ TYR A 37 75.530 75.460 37.580 1.00 0.00 C ATOM 610 OH TYR A 37 75.880 75.670 38.880 1.00 0.00 O ATOM 0 H TYR A 37 77.102 74.236 32.190 1.00 0.00 H new ATOM 0 HA TYR A 37 75.163 72.642 33.779 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.219 75.469 32.822 1.00 0.00 H new ATOM 0 HB3 TYR A 37 73.706 74.686 33.234 1.00 0.00 H new ATOM 0 HD1 TYR A 37 77.106 74.470 34.689 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.012 75.415 35.348 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.477 75.155 36.945 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.463 75.814 37.724 1.00 0.00 H new ATOM 0 HH TYR A 37 76.567 76.368 38.925 1.00 0.00 H new ATOM 620 N PHE A 38 73.790 71.920 31.820 1.00 0.00 N ATOM 621 CA PHE A 38 73.010 71.400 30.740 1.00 0.00 C ATOM 622 C PHE A 38 71.630 71.860 31.040 1.00 0.00 C ATOM 623 O PHE A 38 70.950 71.340 31.930 1.00 0.00 O ATOM 624 CB PHE A 38 73.040 69.900 30.680 1.00 0.00 C ATOM 625 CG PHE A 38 72.080 69.390 29.650 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.750 69.080 29.980 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.520 69.130 28.350 1.00 0.00 C ATOM 628 CE1 PHE A 38 69.880 68.550 29.010 1.00 0.00 C ATOM 629 CE2 PHE A 38 71.650 68.570 27.390 1.00 0.00 C ATOM 630 CZ PHE A 38 70.310 68.320 27.700 1.00 0.00 C ATOM 0 H PHE A 38 73.603 71.443 32.702 1.00 0.00 H new ATOM 0 HA PHE A 38 73.392 71.742 29.778 1.00 0.00 H new ATOM 0 HB2 PHE A 38 74.049 69.561 30.443 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.786 69.487 31.656 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.393 69.250 30.985 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.539 69.360 28.076 1.00 0.00 H new ATOM 0 HE1 PHE A 38 68.861 68.317 29.282 1.00 0.00 H new ATOM 0 HE2 PHE A 38 72.024 68.332 26.405 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.625 67.959 26.947 1.00 0.00 H new ATOM 640 N ALA A 39 71.240 72.900 30.330 1.00 0.00 N ATOM 641 CA ALA A 39 69.960 73.540 30.590 1.00 0.00 C ATOM 642 C ALA A 39 69.410 73.900 29.260 1.00 0.00 C ATOM 643 O ALA A 39 70.170 74.070 28.330 1.00 0.00 O ATOM 644 CB ALA A 39 70.030 74.770 31.430 1.00 0.00 C ATOM 0 H ALA A 39 71.783 73.319 29.575 1.00 0.00 H new ATOM 0 HA ALA A 39 69.343 72.844 31.158 1.00 0.00 H new ATOM 0 HB1 ALA A 39 69.027 75.174 31.568 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.459 74.523 32.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.656 75.513 30.936 1.00 0.00 H new ATOM 650 N PRO A 40 68.070 73.960 29.170 1.00 0.00 N ATOM 651 CA PRO A 40 67.440 73.220 28.090 1.00 0.00 C ATOM 652 C PRO A 40 67.840 73.730 26.680 1.00 0.00 C ATOM 653 O PRO A 40 67.810 74.940 26.480 1.00 0.00 O ATOM 654 CB PRO A 40 65.950 73.390 28.380 1.00 0.00 C ATOM 655 CG PRO A 40 65.830 74.720 29.130 1.00 0.00 C ATOM 656 CD PRO A 40 67.130 74.810 29.910 1.00 0.00 C ATOM 0 HA PRO A 40 67.752 72.176 28.063 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.370 73.406 27.457 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.570 72.564 28.982 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.716 75.559 28.443 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.964 74.730 29.792 1.00 0.00 H new ATOM 0 HD2 PRO A 40 67.487 75.838 29.967 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.002 74.460 30.934 1.00 0.00 H new ATOM 664 N THR A 41 67.960 72.850 25.650 1.00 0.00 N ATOM 665 CA THR A 41 67.830 73.400 24.300 1.00 0.00 C ATOM 666 C THR A 41 66.420 73.870 24.030 1.00 0.00 C ATOM 667 O THR A 41 66.180 74.950 23.500 1.00 0.00 O ATOM 668 CB THR A 41 68.180 72.370 23.250 1.00 0.00 C ATOM 669 OG1 THR A 41 69.480 72.080 23.320 1.00 0.00 O ATOM 670 CG2 THR A 41 67.960 72.860 21.860 1.00 0.00 C ATOM 0 H THR A 41 68.131 71.847 25.724 1.00 0.00 H new ATOM 0 HA THR A 41 68.521 74.241 24.245 1.00 0.00 H new ATOM 0 HB THR A 41 67.536 71.513 23.451 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.984 72.697 22.749 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.229 72.077 21.151 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.910 73.123 21.729 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.580 73.739 21.682 1.00 0.00 H new ATOM 678 N ASN A 42 65.460 73.050 24.430 1.00 0.00 N ATOM 679 CA ASN A 42 64.140 73.250 23.930 1.00 0.00 C ATOM 680 C ASN A 42 63.440 74.490 24.440 1.00 0.00 C ATOM 681 O ASN A 42 62.760 75.140 23.670 1.00 0.00 O ATOM 682 CB ASN A 42 63.380 72.020 24.330 1.00 0.00 C ATOM 683 CG ASN A 42 63.940 70.800 23.620 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.630 71.000 22.600 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.690 69.600 24.120 1.00 0.00 N ATOM 0 H ASN A 42 65.578 72.270 25.077 1.00 0.00 H new ATOM 0 HA ASN A 42 64.189 73.408 22.853 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.442 71.881 25.409 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.325 72.140 24.084 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.070 68.769 23.667 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.117 69.506 24.959 1.00 0.00 H new ATOM 692 N ALA A 43 63.540 74.770 25.760 1.00 0.00 N ATOM 693 CA ALA A 43 62.790 75.910 26.260 1.00 0.00 C ATOM 694 C ALA A 43 63.630 77.170 26.350 1.00 0.00 C ATOM 695 O ALA A 43 63.150 78.250 26.140 1.00 0.00 O ATOM 696 CB ALA A 43 62.170 75.560 27.600 1.00 0.00 C ATOM 0 H ALA A 43 64.095 74.255 26.444 1.00 0.00 H new ATOM 0 HA ALA A 43 61.999 76.131 25.544 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.607 76.415 27.975 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.500 74.709 27.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.957 75.304 28.309 1.00 0.00 H new ATOM 702 N HIS A 44 64.890 76.980 26.720 1.00 0.00 N ATOM 703 CA HIS A 44 65.850 77.990 27.120 1.00 0.00 C ATOM 704 C HIS A 44 65.310 78.760 28.290 1.00 0.00 C ATOM 705 O HIS A 44 65.460 79.980 28.400 1.00 0.00 O ATOM 706 CB HIS A 44 66.140 78.890 25.960 1.00 0.00 C ATOM 707 CG HIS A 44 67.000 78.310 24.900 1.00 0.00 C ATOM 708 ND1 HIS A 44 66.630 77.970 23.630 1.00 0.00 N flip ATOM 709 CD2 HIS A 44 68.330 78.010 25.080 1.00 0.00 C flip ATOM 710 CE1 HIS A 44 67.740 77.430 23.040 1.00 0.00 C flip ATOM 711 NE2 HIS A 44 68.710 77.470 23.950 1.00 0.00 N flip ATOM 0 H HIS A 44 65.294 76.044 26.749 1.00 0.00 H new ATOM 0 HA HIS A 44 66.784 77.519 27.426 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.194 79.191 25.511 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.617 79.795 26.336 1.00 0.00 H new ATOM 0 HD1 HIS A 44 65.710 78.094 23.206 1.00 0.00 H new ATOM 0 HD2 HIS A 44 68.930 78.182 25.961 1.00 0.00 H new ATOM 0 HE1 HIS A 44 67.814 77.046 22.033 1.00 0.00 H new ATOM 719 N LYS A 45 64.660 78.030 29.200 1.00 0.00 N ATOM 720 CA LYS A 45 64.150 78.610 30.410 1.00 0.00 C ATOM 721 C LYS A 45 64.980 78.550 31.630 1.00 0.00 C ATOM 722 O LYS A 45 65.190 79.550 32.310 1.00 0.00 O ATOM 723 CB LYS A 45 62.710 78.210 30.560 1.00 0.00 C ATOM 724 CG LYS A 45 62.070 78.920 31.740 1.00 0.00 C ATOM 725 CD LYS A 45 60.680 78.390 31.990 1.00 0.00 C ATOM 726 CE LYS A 45 60.010 79.060 33.180 1.00 0.00 C ATOM 727 NZ LYS A 45 58.680 78.480 33.420 1.00 0.00 N ATOM 0 H LYS A 45 64.482 77.030 29.105 1.00 0.00 H new ATOM 0 HA LYS A 45 64.213 79.691 30.284 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.165 78.450 29.647 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.641 77.131 30.699 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.683 78.782 32.630 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.027 79.992 31.546 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.070 78.543 31.100 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.729 77.315 32.162 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.630 78.940 34.068 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.918 80.131 32.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.238 78.950 34.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.085 78.616 32.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.775 77.463 33.616 1.00 0.00 H new ATOM 741 N ASP A 46 65.340 77.310 31.940 1.00 0.00 N ATOM 742 CA ASP A 46 66.180 77.060 33.110 1.00 0.00 C ATOM 743 C ASP A 46 67.500 77.750 32.930 1.00 0.00 C ATOM 744 O ASP A 46 68.010 78.310 33.890 1.00 0.00 O ATOM 745 CB ASP A 46 66.410 75.590 33.420 1.00 0.00 C ATOM 746 CG ASP A 46 65.170 74.900 33.870 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.280 75.730 34.340 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.070 73.730 33.830 1.00 0.00 O ATOM 0 H ASP A 46 65.072 76.478 31.413 1.00 0.00 H new ATOM 0 HA ASP A 46 65.635 77.461 33.965 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.797 75.091 32.532 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.173 75.500 34.194 1.00 0.00 H new ATOM 753 N MET A 47 67.990 77.800 31.720 1.00 0.00 N ATOM 754 CA MET A 47 69.260 78.440 31.390 1.00 0.00 C ATOM 755 C MET A 47 69.260 79.960 31.620 1.00 0.00 C ATOM 756 O MET A 47 70.220 80.520 32.130 1.00 0.00 O ATOM 757 CB MET A 47 69.540 78.160 29.940 1.00 0.00 C ATOM 758 CG MET A 47 70.800 78.850 29.580 1.00 0.00 C ATOM 759 SD MET A 47 71.050 78.400 27.940 1.00 0.00 S ATOM 760 CE MET A 47 71.650 76.710 27.930 1.00 0.00 C ATOM 0 H MET A 47 67.518 77.393 30.913 1.00 0.00 H new ATOM 0 HA MET A 47 70.026 78.032 32.050 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.630 77.087 29.769 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.719 78.515 29.317 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.711 79.931 29.691 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.627 78.531 30.214 1.00 0.00 H new ATOM 0 HE1 MET A 47 72.692 76.696 27.610 1.00 0.00 H new ATOM 0 HE2 MET A 47 71.573 76.290 28.933 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.051 76.115 27.241 1.00 0.00 H new ATOM 770 N LEU A 48 68.150 80.610 31.240 1.00 0.00 N ATOM 771 CA LEU A 48 67.990 82.050 31.430 1.00 0.00 C ATOM 772 C LEU A 48 68.140 82.390 32.900 1.00 0.00 C ATOM 773 O LEU A 48 68.780 83.360 33.310 1.00 0.00 O ATOM 774 CB LEU A 48 66.650 82.560 30.870 1.00 0.00 C ATOM 775 CG LEU A 48 66.510 84.090 31.020 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.560 84.820 30.200 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.140 84.510 30.520 1.00 0.00 C ATOM 0 H LEU A 48 67.351 80.155 30.799 1.00 0.00 H new ATOM 0 HA LEU A 48 68.773 82.558 30.867 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.570 82.289 29.817 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.828 82.067 31.389 1.00 0.00 H new ATOM 0 HG LEU A 48 66.641 84.344 32.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.437 85.896 30.325 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.554 84.527 30.538 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.444 84.562 29.147 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.031 85.590 30.622 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.034 84.232 29.471 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.369 84.011 31.107 1.00 0.00 H new ATOM 789 N LYS A 49 67.520 81.540 33.680 1.00 0.00 N ATOM 790 CA LYS A 49 67.520 81.620 35.150 1.00 0.00 C ATOM 791 C LYS A 49 68.890 81.450 35.740 1.00 0.00 C ATOM 792 O LYS A 49 69.210 82.110 36.710 1.00 0.00 O ATOM 793 CB LYS A 49 66.580 80.580 35.710 1.00 0.00 C ATOM 794 CG LYS A 49 65.130 80.950 35.460 1.00 0.00 C ATOM 795 CD LYS A 49 64.180 79.910 36.000 1.00 0.00 C ATOM 796 CE LYS A 49 62.720 80.310 35.750 1.00 0.00 C ATOM 797 NZ LYS A 49 61.820 79.260 36.270 1.00 0.00 N ATOM 0 H LYS A 49 66.985 80.750 33.319 1.00 0.00 H new ATOM 0 HA LYS A 49 67.182 82.619 35.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.793 79.613 35.256 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.750 80.473 36.781 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.916 81.912 35.925 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.966 81.070 34.389 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.382 78.949 35.528 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.347 79.782 37.069 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.505 81.261 36.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.550 80.453 34.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.831 79.557 36.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.984 78.374 35.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.011 79.109 37.281 1.00 0.00 H new ATOM 811 N ALA A 50 69.640 80.550 35.130 1.00 0.00 N ATOM 812 CA ALA A 50 70.990 80.280 35.570 1.00 0.00 C ATOM 813 C ALA A 50 71.880 81.500 35.580 1.00 0.00 C ATOM 814 O ALA A 50 72.610 81.710 36.550 1.00 0.00 O ATOM 815 CB ALA A 50 71.590 79.240 34.640 1.00 0.00 C ATOM 0 H ALA A 50 69.335 79.996 34.330 1.00 0.00 H new ATOM 0 HA ALA A 50 70.933 79.929 36.600 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.611 79.019 34.952 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.993 78.329 34.680 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.597 79.625 33.620 1.00 0.00 H new ATOM 821 N VAL A 51 71.790 82.300 34.550 1.00 0.00 N ATOM 822 CA VAL A 51 72.570 83.520 34.340 1.00 0.00 C ATOM 823 C VAL A 51 72.340 84.480 35.520 1.00 0.00 C ATOM 824 O VAL A 51 73.270 85.040 36.090 1.00 0.00 O ATOM 825 CB VAL A 51 72.190 84.160 33.010 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.020 85.390 32.850 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.450 83.250 31.800 1.00 0.00 C ATOM 0 H VAL A 51 71.139 82.120 33.786 1.00 0.00 H new ATOM 0 HA VAL A 51 73.632 83.280 34.297 1.00 0.00 H new ATOM 0 HB VAL A 51 71.120 84.367 33.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.773 85.875 31.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.818 86.075 33.673 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.076 85.119 32.854 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.157 83.767 30.886 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.510 83.002 31.753 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.867 82.335 31.901 1.00 0.00 H new ATOM 837 N ASP A 52 71.080 84.630 35.900 1.00 0.00 N ATOM 838 CA ASP A 52 70.630 85.390 37.080 1.00 0.00 C ATOM 839 C ASP A 52 71.090 84.800 38.390 1.00 0.00 C ATOM 840 O ASP A 52 71.590 85.530 39.220 1.00 0.00 O ATOM 841 CB ASP A 52 69.130 85.490 37.050 1.00 0.00 C ATOM 842 CG ASP A 52 68.790 86.420 35.960 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.670 87.140 35.340 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.690 86.540 35.480 1.00 0.00 O ATOM 0 H ASP A 52 70.306 84.214 35.382 1.00 0.00 H new ATOM 0 HA ASP A 52 71.086 86.379 37.024 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.680 84.512 36.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.747 85.854 38.003 1.00 0.00 H new ATOM 849 N PHE A 53 71.000 83.490 38.540 1.00 0.00 N ATOM 850 CA PHE A 53 71.390 82.830 39.770 1.00 0.00 C ATOM 851 C PHE A 53 72.870 83.020 40.050 1.00 0.00 C ATOM 852 O PHE A 53 73.230 83.180 41.220 1.00 0.00 O ATOM 853 CB PHE A 53 70.970 81.360 39.720 1.00 0.00 C ATOM 854 CG PHE A 53 69.530 81.120 39.700 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.690 82.030 40.320 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.020 80.000 39.030 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.310 81.840 40.280 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.640 79.800 39.000 1.00 0.00 C ATOM 859 CZ PHE A 53 66.810 80.730 39.610 1.00 0.00 C ATOM 0 H PHE A 53 70.656 82.859 37.816 1.00 0.00 H new ATOM 0 HA PHE A 53 70.870 83.289 40.611 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.409 80.904 38.833 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.394 80.849 40.584 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.104 82.885 40.834 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.686 79.302 38.544 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.643 82.541 40.760 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.223 78.933 38.509 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.741 80.586 39.562 1.00 0.00 H new ATOM 869 N PHE A 54 73.700 83.000 38.980 1.00 0.00 N ATOM 870 CA PHE A 54 75.130 82.850 39.150 1.00 0.00 C ATOM 871 C PHE A 54 75.590 84.110 39.780 1.00 0.00 C ATOM 872 O PHE A 54 76.420 84.090 40.650 1.00 0.00 O ATOM 873 CB PHE A 54 75.850 82.650 37.820 1.00 0.00 C ATOM 874 CG PHE A 54 75.510 81.310 37.240 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.240 80.200 37.950 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.470 81.110 35.900 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.810 79.000 37.380 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.180 79.930 35.230 1.00 0.00 C ATOM 879 CZ PHE A 54 74.810 78.860 36.010 1.00 0.00 C ATOM 0 H PHE A 54 73.392 83.086 38.011 1.00 0.00 H new ATOM 0 HA PHE A 54 75.350 81.969 39.754 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.566 83.438 37.123 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.927 82.727 37.967 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.363 80.239 39.022 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.689 81.968 35.282 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.480 78.187 38.009 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.242 79.856 34.154 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.524 77.923 35.555 1.00 0.00 H new ATOM 889 N LYS A 55 75.020 85.220 39.320 1.00 0.00 N ATOM 890 CA LYS A 55 75.230 86.550 39.830 1.00 0.00 C ATOM 891 C LYS A 55 74.640 86.800 41.220 1.00 0.00 C ATOM 892 O LYS A 55 75.260 87.500 42.000 1.00 0.00 O ATOM 893 CB LYS A 55 74.660 87.490 38.810 1.00 0.00 C ATOM 894 CG LYS A 55 75.320 87.430 37.440 1.00 0.00 C ATOM 895 CD LYS A 55 74.670 88.390 36.440 1.00 0.00 C ATOM 896 CE LYS A 55 75.400 88.340 35.120 1.00 0.00 C ATOM 897 NZ LYS A 55 74.750 89.270 34.210 1.00 0.00 N ATOM 0 H LYS A 55 74.365 85.203 38.538 1.00 0.00 H new ATOM 0 HA LYS A 55 76.298 86.707 39.978 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.597 87.276 38.694 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.740 88.508 39.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.378 87.672 37.538 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.260 86.412 37.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.623 88.122 36.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.688 89.406 36.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.448 88.608 35.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.379 87.330 34.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.236 89.254 33.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.756 88.992 34.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.792 90.230 34.607 1.00 0.00 H new ATOM 911 N GLU A 56 73.440 86.230 41.500 1.00 0.00 N ATOM 912 CA GLU A 56 72.840 86.310 42.830 1.00 0.00 C ATOM 913 C GLU A 56 73.780 85.700 43.850 1.00 0.00 C ATOM 914 O GLU A 56 73.930 86.260 44.940 1.00 0.00 O ATOM 915 CB GLU A 56 71.480 85.610 42.900 1.00 0.00 C ATOM 916 CG GLU A 56 70.410 86.350 42.090 1.00 0.00 C ATOM 917 CD GLU A 56 69.070 85.560 42.190 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.020 84.520 42.860 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.980 85.890 41.670 1.00 0.00 O ATOM 0 H GLU A 56 72.882 85.716 40.818 1.00 0.00 H new ATOM 0 HA GLU A 56 72.675 87.365 43.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.577 84.591 42.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.162 85.539 43.940 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.281 87.363 42.472 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.719 86.439 41.049 1.00 0.00 H new ATOM 926 N LYS A 57 74.480 84.600 43.550 1.00 0.00 N ATOM 927 CA LYS A 57 75.330 83.970 44.560 1.00 0.00 C ATOM 928 C LYS A 57 76.800 83.970 44.240 1.00 0.00 C ATOM 929 O LYS A 57 77.140 83.560 43.140 1.00 0.00 O ATOM 930 CB LYS A 57 74.800 82.560 44.750 1.00 0.00 C ATOM 931 CG LYS A 57 73.460 82.580 45.470 1.00 0.00 C ATOM 932 CD LYS A 57 72.990 81.160 45.740 1.00 0.00 C ATOM 933 CE LYS A 57 71.650 81.150 46.470 1.00 0.00 C ATOM 934 NZ LYS A 57 71.220 79.760 46.750 1.00 0.00 N ATOM 0 H LYS A 57 74.475 84.139 42.640 1.00 0.00 H new ATOM 0 HA LYS A 57 75.275 84.557 45.477 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.690 82.074 43.781 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.517 81.971 45.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.551 83.126 46.409 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.722 83.107 44.866 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.898 80.620 44.798 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.736 80.635 46.337 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.734 81.706 47.404 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.896 81.655 45.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.276 79.770 47.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.185 79.222 45.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.897 79.312 47.400 1.00 0.00 H new ATOM 948 N GLY A 58 77.690 84.160 45.210 1.00 0.00 N ATOM 949 CA GLY A 58 79.060 84.650 45.030 1.00 0.00 C ATOM 950 C GLY A 58 80.080 83.630 44.640 1.00 0.00 C ATOM 951 O GLY A 58 81.220 83.990 44.390 1.00 0.00 O ATOM 0 H GLY A 58 77.470 83.969 46.187 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.047 85.430 44.269 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.382 85.118 45.961 1.00 0.00 H new ATOM 955 N HIS A 59 79.700 82.430 44.390 1.00 0.00 N ATOM 956 CA HIS A 59 80.310 81.210 44.820 1.00 0.00 C ATOM 957 C HIS A 59 81.060 80.540 43.750 1.00 0.00 C ATOM 958 O HIS A 59 81.120 79.330 43.850 1.00 0.00 O ATOM 959 CB HIS A 59 79.190 80.270 45.260 1.00 0.00 C ATOM 960 CG HIS A 59 78.610 80.660 46.560 1.00 0.00 C ATOM 961 ND1 HIS A 59 77.620 81.630 46.690 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.920 80.200 47.810 1.00 0.00 C ATOM 963 CE1 HIS A 59 77.360 81.740 47.980 1.00 0.00 C ATOM 964 NE2 HIS A 59 78.110 80.900 48.690 1.00 0.00 N ATOM 0 H HIS A 59 78.871 82.253 43.822 1.00 0.00 H new ATOM 0 HA HIS A 59 81.011 81.446 45.620 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.406 80.263 44.503 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.577 79.253 45.328 1.00 0.00 H new ATOM 0 HD2 HIS A 59 79.649 79.444 48.061 1.00 0.00 H new ATOM 0 HE1 HIS A 59 76.636 82.421 48.403 1.00 0.00 H new ATOM 0 HE2 HIS A 59 78.092 80.791 49.704 1.00 0.00 H new ATOM 972 N THR A 60 81.500 81.250 42.700 1.00 0.00 N ATOM 973 CA THR A 60 81.710 80.780 41.330 1.00 0.00 C ATOM 974 C THR A 60 83.180 80.980 40.980 1.00 0.00 C ATOM 975 O THR A 60 84.080 80.670 41.720 1.00 0.00 O ATOM 976 CB THR A 60 80.770 81.500 40.380 1.00 0.00 C ATOM 977 OG1 THR A 60 81.160 82.810 40.450 1.00 0.00 O ATOM 978 CG2 THR A 60 79.320 81.550 40.760 1.00 0.00 C ATOM 0 H THR A 60 81.734 82.238 42.797 1.00 0.00 H new ATOM 0 HA THR A 60 81.479 79.719 41.238 1.00 0.00 H new ATOM 0 HB THR A 60 80.834 80.972 39.429 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.598 83.351 39.857 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.762 82.092 39.996 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.930 80.535 40.842 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.212 82.059 41.718 1.00 0.00 H new ATOM 986 N ALA A 61 83.520 81.460 39.830 1.00 0.00 N ATOM 987 CA ALA A 61 84.590 82.380 39.520 1.00 0.00 C ATOM 988 C ALA A 61 83.970 83.170 38.390 1.00 0.00 C ATOM 989 O ALA A 61 83.750 84.360 38.590 1.00 0.00 O ATOM 990 CB ALA A 61 85.870 81.700 39.010 1.00 0.00 C ATOM 0 H ALA A 61 83.007 81.196 38.989 1.00 0.00 H new ATOM 0 HA ALA A 61 84.912 82.944 40.396 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.625 82.457 38.800 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.245 81.014 39.770 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.649 81.145 38.098 1.00 0.00 H new ATOM 996 N TYR A 62 83.610 82.430 37.320 1.00 0.00 N ATOM 997 CA TYR A 62 83.190 82.960 36.020 1.00 0.00 C ATOM 998 C TYR A 62 82.110 82.140 35.260 1.00 0.00 C ATOM 999 O TYR A 62 82.030 80.920 35.370 1.00 0.00 O ATOM 1000 CB TYR A 62 84.430 83.150 35.160 1.00 0.00 C ATOM 1001 CG TYR A 62 85.430 84.100 35.760 1.00 0.00 C ATOM 1002 CD1 TYR A 62 86.440 83.630 36.650 1.00 0.00 C ATOM 1003 CD2 TYR A 62 85.280 85.470 35.580 1.00 0.00 C ATOM 1004 CE1 TYR A 62 87.310 84.500 37.250 1.00 0.00 C ATOM 1005 CE2 TYR A 62 86.210 86.360 36.130 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.280 85.880 36.930 1.00 0.00 C ATOM 1007 OH TYR A 62 88.270 86.700 37.400 1.00 0.00 O ATOM 0 H TYR A 62 83.606 81.410 37.346 1.00 0.00 H new ATOM 0 HA TYR A 62 82.687 83.905 36.227 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.907 82.182 35.003 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.131 83.520 34.179 1.00 0.00 H new ATOM 0 HD1 TYR A 62 86.520 82.572 36.854 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.442 85.849 35.013 1.00 0.00 H new ATOM 0 HE1 TYR A 62 88.024 84.132 37.972 1.00 0.00 H new ATOM 0 HE2 TYR A 62 86.113 87.419 35.944 1.00 0.00 H new ATOM 0 HH TYR A 62 88.109 87.617 37.093 1.00 0.00 H new ATOM 1017 N LEU A 63 81.290 82.790 34.420 1.00 0.00 N ATOM 1018 CA LEU A 63 80.310 82.090 33.570 1.00 0.00 C ATOM 1019 C LEU A 63 80.470 82.470 32.120 1.00 0.00 C ATOM 1020 O LEU A 63 80.350 83.640 31.770 1.00 0.00 O ATOM 1021 CB LEU A 63 78.890 82.400 34.040 1.00 0.00 C ATOM 1022 CG LEU A 63 77.850 81.750 33.120 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.890 80.230 33.240 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.510 82.300 33.480 1.00 0.00 C ATOM 0 H LEU A 63 81.285 83.804 34.310 1.00 0.00 H new ATOM 0 HA LEU A 63 80.493 81.019 33.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.754 82.039 35.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.738 83.479 34.061 1.00 0.00 H new ATOM 0 HG LEU A 63 78.069 81.981 32.078 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.143 79.793 32.577 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.879 79.869 32.960 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.676 79.941 34.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.749 81.854 32.839 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.289 82.067 34.522 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.511 83.381 33.342 1.00 0.00 H new ATOM 1036 N ASP A 64 80.540 81.480 31.260 1.00 0.00 N ATOM 1037 CA ASP A 64 80.500 81.670 29.810 1.00 0.00 C ATOM 1038 C ASP A 64 79.610 80.660 29.080 1.00 0.00 C ATOM 1039 O ASP A 64 79.110 79.680 29.650 1.00 0.00 O ATOM 1040 CB ASP A 64 81.930 81.560 29.290 1.00 0.00 C ATOM 1041 CG ASP A 64 82.090 82.160 27.940 1.00 0.00 C ATOM 1042 OD1 ASP A 64 81.180 82.710 27.400 1.00 0.00 O ATOM 1043 OD2 ASP A 64 83.300 82.130 27.460 1.00 0.00 O ATOM 0 H ASP A 64 80.628 80.504 31.541 1.00 0.00 H new ATOM 0 HA ASP A 64 80.064 82.649 29.613 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.606 82.055 29.987 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.221 80.510 29.255 1.00 0.00 H new ATOM 1048 N GLU A 65 79.300 80.880 27.810 1.00 0.00 N ATOM 1049 CA GLU A 65 78.590 79.910 27.020 1.00 0.00 C ATOM 1050 C GLU A 65 79.550 78.760 26.830 1.00 0.00 C ATOM 1051 O GLU A 65 80.760 78.930 26.980 1.00 0.00 O ATOM 1052 CB GLU A 65 78.170 80.480 25.680 1.00 0.00 C ATOM 1053 CG GLU A 65 77.050 81.480 25.810 1.00 0.00 C ATOM 1054 CD GLU A 65 76.670 82.140 24.520 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.350 81.900 23.500 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.660 82.870 24.550 1.00 0.00 O ATOM 0 H GLU A 65 79.537 81.736 27.309 1.00 0.00 H new ATOM 0 HA GLU A 65 77.671 79.599 27.517 1.00 0.00 H new ATOM 0 HB2 GLU A 65 79.027 80.958 25.206 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.855 79.668 25.025 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.174 80.978 26.221 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.343 82.247 26.526 1.00 0.00 H new ATOM 1063 N VAL A 66 79.090 77.600 26.370 1.00 0.00 N ATOM 1064 CA VAL A 66 79.980 76.870 25.460 1.00 0.00 C ATOM 1065 C VAL A 66 79.810 77.290 24.030 1.00 0.00 C ATOM 1066 O VAL A 66 78.680 77.480 23.630 1.00 0.00 O ATOM 1067 CB VAL A 66 79.780 75.370 25.620 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.670 74.610 24.630 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.190 74.940 27.020 1.00 0.00 C ATOM 0 H VAL A 66 78.190 77.171 26.584 1.00 0.00 H new ATOM 0 HA VAL A 66 81.005 77.121 25.734 1.00 0.00 H new ATOM 0 HB VAL A 66 78.728 75.148 25.438 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.519 73.538 24.754 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.410 74.898 23.611 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.715 74.853 24.820 1.00 0.00 H new ATOM 0 HG21 VAL A 66 80.044 73.865 27.128 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.240 75.182 27.182 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.579 75.464 27.755 1.00 0.00 H new ATOM 1079 N ARG A 67 80.730 77.370 23.090 1.00 0.00 N ATOM 1080 CA ARG A 67 80.460 77.260 21.630 1.00 0.00 C ATOM 1081 C ARG A 67 80.420 75.840 21.080 1.00 0.00 C ATOM 1082 O ARG A 67 81.100 75.460 20.170 1.00 0.00 O ATOM 1083 CB ARG A 67 81.460 78.130 20.890 1.00 0.00 C ATOM 1084 CG ARG A 67 81.230 79.620 21.160 1.00 0.00 C ATOM 1085 CD ARG A 67 79.820 80.050 20.740 1.00 0.00 C ATOM 1086 NE ARG A 67 79.620 81.480 20.960 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.470 82.090 20.730 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.470 81.430 20.200 1.00 0.00 N ATOM 1089 NH2 ARG A 67 78.330 83.380 20.970 1.00 0.00 N ATOM 0 H ARG A 67 81.717 77.517 23.302 1.00 0.00 H new ATOM 0 HA ARG A 67 79.443 77.616 21.465 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.471 77.858 21.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.385 77.939 19.819 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.375 79.826 22.220 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.969 80.209 20.617 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.663 79.815 19.687 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.080 79.485 21.306 1.00 0.00 H new ATOM 0 HE ARG A 67 80.404 82.033 21.307 1.00 0.00 H new ATOM 0 HH11 ARG A 67 77.578 80.444 19.964 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.584 81.903 20.023 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.115 83.918 21.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.437 83.839 20.788 1.00 0.00 H new ATOM 1103 N VAL A 68 79.490 75.040 21.510 1.00 0.00 N ATOM 1104 CA VAL A 68 78.680 74.070 20.760 1.00 0.00 C ATOM 1105 C VAL A 68 77.270 74.580 20.690 1.00 0.00 C ATOM 1106 O VAL A 68 76.360 73.890 20.290 1.00 0.00 O ATOM 1107 CB VAL A 68 78.660 72.690 21.440 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.080 72.140 21.440 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.170 72.790 22.880 1.00 0.00 C ATOM 0 H VAL A 68 79.238 75.035 22.498 1.00 0.00 H new ATOM 0 HA VAL A 68 79.119 73.957 19.769 1.00 0.00 H new ATOM 0 HB VAL A 68 77.981 72.036 20.893 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.091 71.160 21.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.434 72.047 20.413 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.733 72.819 21.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.167 71.799 23.333 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.833 73.445 23.445 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.159 73.198 22.893 1.00 0.00 H new ATOM 1119 N SER A 69 77.080 75.840 21.070 1.00 0.00 N ATOM 1120 CA SER A 69 75.890 76.440 21.620 1.00 0.00 C ATOM 1121 C SER A 69 75.440 77.580 20.750 1.00 0.00 C ATOM 1122 O SER A 69 74.620 78.360 21.150 1.00 0.00 O ATOM 1123 CB SER A 69 76.120 76.870 23.020 1.00 0.00 C ATOM 1124 OG SER A 69 76.430 75.800 23.900 1.00 0.00 O ATOM 0 H SER A 69 77.833 76.523 20.989 1.00 0.00 H new ATOM 0 HA SER A 69 75.091 75.698 21.639 1.00 0.00 H new ATOM 0 HB2 SER A 69 76.935 77.593 23.040 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.230 77.383 23.385 1.00 0.00 H new ATOM 0 HG SER A 69 76.726 76.161 24.762 1.00 0.00 H new ATOM 1130 N THR A 70 75.990 77.670 19.540 1.00 0.00 N ATOM 1131 CA THR A 70 75.170 77.780 18.370 1.00 0.00 C ATOM 1132 C THR A 70 74.380 76.450 18.150 1.00 0.00 C ATOM 1133 O THR A 70 73.170 76.390 18.160 1.00 0.00 O ATOM 1134 CB THR A 70 76.060 78.180 17.150 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.930 77.180 16.790 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.810 79.460 17.370 1.00 0.00 C ATOM 0 H THR A 70 76.994 77.668 19.361 1.00 0.00 H new ATOM 0 HA THR A 70 74.425 78.566 18.493 1.00 0.00 H new ATOM 0 HB THR A 70 75.363 78.341 16.327 1.00 0.00 H new ATOM 0 HG1 THR A 70 76.482 76.563 16.174 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.410 79.686 16.489 1.00 0.00 H new ATOM 0 HG22 THR A 70 76.103 80.271 17.545 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.463 79.355 18.237 1.00 0.00 H new ATOM 1144 N ASP A 71 75.160 75.370 17.980 1.00 0.00 N ATOM 1145 CA ASP A 71 74.800 74.110 17.320 1.00 0.00 C ATOM 1146 C ASP A 71 73.750 73.290 18.020 1.00 0.00 C ATOM 1147 O ASP A 71 72.830 72.810 17.390 1.00 0.00 O ATOM 1148 CB ASP A 71 76.070 73.280 17.130 1.00 0.00 C ATOM 1149 CG ASP A 71 76.950 73.860 16.060 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.380 74.730 15.290 1.00 0.00 O ATOM 1151 OD2 ASP A 71 78.100 73.560 16.000 1.00 0.00 O ATOM 0 H ASP A 71 76.120 75.356 18.323 1.00 0.00 H new ATOM 0 HA ASP A 71 74.345 74.385 16.369 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.620 73.234 18.070 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.802 72.257 16.867 1.00 0.00 H new ATOM 1156 N GLU A 72 73.890 73.220 19.360 1.00 0.00 N ATOM 1157 CA GLU A 72 72.960 72.460 20.170 1.00 0.00 C ATOM 1158 C GLU A 72 72.440 73.250 21.350 1.00 0.00 C ATOM 1159 O GLU A 72 71.380 72.930 21.840 1.00 0.00 O ATOM 1160 CB GLU A 72 73.600 71.190 20.700 1.00 0.00 C ATOM 1161 CG GLU A 72 73.830 70.200 19.560 1.00 0.00 C ATOM 1162 CD GLU A 72 74.460 68.940 20.080 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.820 69.030 21.290 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.660 67.990 19.280 1.00 0.00 O ATOM 0 H GLU A 72 74.634 73.680 19.884 1.00 0.00 H new ATOM 0 HA GLU A 72 72.127 72.217 19.510 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.548 71.426 21.183 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.959 70.740 21.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.882 69.967 19.075 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.473 70.650 18.803 1.00 0.00 H new ATOM 1171 N LYS A 73 73.120 74.320 21.770 1.00 0.00 N ATOM 1172 CA LYS A 73 72.630 75.280 22.760 1.00 0.00 C ATOM 1173 C LYS A 73 72.230 74.680 24.120 1.00 0.00 C ATOM 1174 O LYS A 73 71.260 75.130 24.730 1.00 0.00 O ATOM 1175 CB LYS A 73 71.480 76.010 22.130 1.00 0.00 C ATOM 1176 CG LYS A 73 71.870 76.930 21.000 1.00 0.00 C ATOM 1177 CD LYS A 73 70.690 77.680 20.410 1.00 0.00 C ATOM 1178 CE LYS A 73 71.100 78.570 19.270 1.00 0.00 C ATOM 1179 NZ LYS A 73 69.940 79.280 18.690 1.00 0.00 N ATOM 0 H LYS A 73 74.051 74.548 21.421 1.00 0.00 H new ATOM 0 HA LYS A 73 73.454 75.947 23.014 1.00 0.00 H new ATOM 0 HB2 LYS A 73 70.763 75.279 21.756 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.971 76.593 22.898 1.00 0.00 H new ATOM 0 HG2 LYS A 73 72.606 77.648 21.362 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.352 76.348 20.215 1.00 0.00 H new ATOM 0 HD2 LYS A 73 69.944 76.966 20.062 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.217 78.281 21.187 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.834 79.296 19.620 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.585 77.973 18.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.259 79.885 17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 69.251 78.587 18.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 69.492 79.869 19.421 1.00 0.00 H new ATOM 1193 N ASP A 74 73.020 73.740 24.610 1.00 0.00 N ATOM 1194 CA ASP A 74 72.790 73.100 25.900 1.00 0.00 C ATOM 1195 C ASP A 74 73.690 73.500 27.040 1.00 0.00 C ATOM 1196 O ASP A 74 73.220 73.530 28.180 1.00 0.00 O ATOM 1197 CB ASP A 74 72.840 71.600 25.710 1.00 0.00 C ATOM 1198 CG ASP A 74 71.620 71.140 25.020 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.560 71.720 25.520 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.680 70.280 24.210 1.00 0.00 O ATOM 0 H ASP A 74 73.846 73.395 24.122 1.00 0.00 H new ATOM 0 HA ASP A 74 71.810 73.457 26.215 1.00 0.00 H new ATOM 0 HB2 ASP A 74 73.721 71.327 25.129 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.930 71.105 26.677 1.00 0.00 H new ATOM 1205 N PHE A 75 74.970 73.800 26.800 1.00 0.00 N ATOM 1206 CA PHE A 75 75.890 73.790 27.890 1.00 0.00 C ATOM 1207 C PHE A 75 76.420 75.190 28.170 1.00 0.00 C ATOM 1208 O PHE A 75 76.850 75.880 27.250 1.00 0.00 O ATOM 1209 CB PHE A 75 77.010 72.800 27.670 1.00 0.00 C ATOM 1210 CG PHE A 75 76.600 71.370 27.900 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.620 70.820 29.160 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.170 70.580 26.840 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.260 69.490 29.410 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.790 69.250 27.040 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.850 68.700 28.330 1.00 0.00 C ATOM 0 H PHE A 75 75.361 74.041 25.890 1.00 0.00 H new ATOM 0 HA PHE A 75 75.348 73.459 28.776 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.381 72.904 26.650 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.837 73.045 28.337 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.926 71.439 29.991 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.129 71.001 25.846 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.298 69.084 30.410 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.453 68.650 26.208 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.580 67.667 28.489 1.00 0.00 H new ATOM 1225 N LEU A 76 76.430 75.580 29.420 1.00 0.00 N ATOM 1226 CA LEU A 76 77.090 76.770 29.970 1.00 0.00 C ATOM 1227 C LEU A 76 78.320 76.360 30.760 1.00 0.00 C ATOM 1228 O LEU A 76 78.270 75.400 31.520 1.00 0.00 O ATOM 1229 CB LEU A 76 76.110 77.510 30.870 1.00 0.00 C ATOM 1230 CG LEU A 76 74.870 78.020 30.170 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.870 78.600 31.180 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.250 79.120 29.180 1.00 0.00 C ATOM 0 H LEU A 76 75.947 75.046 30.143 1.00 0.00 H new ATOM 0 HA LEU A 76 77.402 77.426 29.157 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.807 76.845 31.678 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.625 78.354 31.328 1.00 0.00 H new ATOM 0 HG LEU A 76 74.410 77.181 29.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.987 78.960 30.652 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.578 77.825 31.889 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.334 79.427 31.717 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.353 79.484 28.679 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.726 79.942 29.715 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.943 78.720 28.440 1.00 0.00 H new ATOM 1244 N TYR A 77 79.440 77.040 30.560 1.00 0.00 N ATOM 1245 CA TYR A 77 80.770 76.680 31.000 1.00 0.00 C ATOM 1246 C TYR A 77 81.180 77.580 32.140 1.00 0.00 C ATOM 1247 O TYR A 77 81.430 78.770 31.970 1.00 0.00 O ATOM 1248 CB TYR A 77 81.760 76.830 29.860 1.00 0.00 C ATOM 1249 CG TYR A 77 83.110 76.320 30.290 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.400 74.950 30.200 1.00 0.00 C ATOM 1251 CD2 TYR A 77 84.100 77.220 30.720 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.680 74.480 30.540 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.390 76.750 30.940 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.680 75.400 30.920 1.00 0.00 C ATOM 1255 OH TYR A 77 86.920 75.050 31.320 1.00 0.00 O ATOM 0 H TYR A 77 79.437 77.922 30.048 1.00 0.00 H new ATOM 0 HA TYR A 77 80.765 75.641 31.330 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.412 76.276 28.988 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.833 77.877 29.564 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.640 74.257 29.870 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.862 78.262 30.877 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.897 73.422 30.511 1.00 0.00 H new ATOM 0 HE2 TYR A 77 86.184 77.457 31.131 1.00 0.00 H new ATOM 0 HH TYR A 77 87.436 75.856 31.531 1.00 0.00 H new ATOM 1265 N GLU A 78 81.240 76.950 33.310 1.00 0.00 N ATOM 1266 CA GLU A 78 81.060 77.680 34.560 1.00 0.00 C ATOM 1267 C GLU A 78 82.130 77.280 35.550 1.00 0.00 C ATOM 1268 O GLU A 78 82.220 76.100 35.920 1.00 0.00 O ATOM 1269 CB GLU A 78 79.690 77.400 35.160 1.00 0.00 C ATOM 1270 CG GLU A 78 79.530 78.100 36.520 1.00 0.00 C ATOM 1271 CD GLU A 78 78.110 77.870 37.050 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.220 77.720 36.230 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.830 77.670 38.250 1.00 0.00 O ATOM 0 H GLU A 78 81.409 75.950 33.418 1.00 0.00 H new ATOM 0 HA GLU A 78 81.138 78.746 34.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.913 77.743 34.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.555 76.325 35.282 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.261 77.712 37.229 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.722 79.168 36.416 1.00 0.00 H new ATOM 1280 N LEU A 79 82.960 78.190 36.000 1.00 0.00 N ATOM 1281 CA LEU A 79 84.200 77.750 36.630 1.00 0.00 C ATOM 1282 C LEU A 79 84.180 78.250 38.020 1.00 0.00 C ATOM 1283 O LEU A 79 83.870 79.410 38.210 1.00 0.00 O ATOM 1284 CB LEU A 79 85.430 78.250 35.880 1.00 0.00 C ATOM 1285 CG LEU A 79 85.420 77.900 34.400 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.620 78.470 33.760 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.490 76.450 34.170 1.00 0.00 C ATOM 0 H LEU A 79 82.818 79.199 35.951 1.00 0.00 H new ATOM 0 HA LEU A 79 84.264 76.662 36.611 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.498 79.332 35.989 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.323 77.827 36.340 1.00 0.00 H new ATOM 0 HG LEU A 79 84.491 78.296 33.990 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.619 78.222 32.698 1.00 0.00 H new ATOM 0 HD12 LEU A 79 86.616 79.553 33.880 1.00 0.00 H new ATOM 0 HD13 LEU A 79 87.513 78.056 34.228 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.480 76.251 33.098 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.409 76.057 34.604 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.632 75.966 34.637 1.00 0.00 H new ATOM 1299 N HIS A 80 84.480 77.360 38.990 1.00 0.00 N ATOM 1300 CA HIS A 80 84.380 77.720 40.380 1.00 0.00 C ATOM 1301 C HIS A 80 85.790 77.760 40.880 1.00 0.00 C ATOM 1302 O HIS A 80 86.490 76.760 40.750 1.00 0.00 O ATOM 1303 CB HIS A 80 83.560 76.700 41.190 1.00 0.00 C ATOM 1304 CG HIS A 80 82.220 76.300 40.620 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.410 75.340 41.190 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.600 76.780 39.510 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.330 75.230 40.420 1.00 0.00 C ATOM 1308 NE2 HIS A 80 80.420 76.100 39.400 1.00 0.00 N ATOM 0 H HIS A 80 84.788 76.403 38.818 1.00 0.00 H new ATOM 0 HA HIS A 80 83.865 78.674 40.493 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.161 75.799 41.310 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.397 77.110 42.187 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.603 74.813 42.042 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.968 77.548 38.846 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.510 74.548 40.589 1.00 0.00 H new ATOM 1316 N ILE A 81 86.230 78.890 41.410 1.00 0.00 N ATOM 1317 CA ILE A 81 87.610 79.140 41.830 1.00 0.00 C ATOM 1318 C ILE A 81 88.520 79.020 40.570 1.00 0.00 C ATOM 1319 O ILE A 81 89.280 79.930 40.240 1.00 0.00 O ATOM 1320 CB ILE A 81 88.050 78.150 42.940 1.00 0.00 C ATOM 1321 CG1 ILE A 81 87.140 78.190 44.180 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.480 78.440 43.400 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.400 77.040 45.130 1.00 0.00 C ATOM 0 H ILE A 81 85.618 79.691 41.568 1.00 0.00 H new ATOM 0 HA ILE A 81 87.695 80.139 42.258 1.00 0.00 H new ATOM 0 HB ILE A 81 87.981 77.161 42.487 1.00 0.00 H new ATOM 0 HG12 ILE A 81 87.291 79.132 44.706 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.098 78.165 43.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 89.763 77.731 44.178 1.00 0.00 H new ATOM 0 HG22 ILE A 81 90.161 78.341 42.555 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.536 79.454 43.795 1.00 0.00 H new ATOM 0 HD11 ILE A 81 86.731 77.118 45.987 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.223 76.096 44.615 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.434 77.078 45.473 1.00 0.00 H new ATOM 1335 N ILE A 82 88.400 78.100 39.620 1.00 0.00 N ATOM 1336 CA ILE A 82 89.460 77.680 38.680 1.00 0.00 C ATOM 1337 C ILE A 82 90.760 77.260 39.470 1.00 0.00 C ATOM 1338 O ILE A 82 91.750 76.880 38.900 1.00 0.00 O ATOM 1339 CB ILE A 82 89.780 78.790 37.650 1.00 0.00 C ATOM 1340 CG1 ILE A 82 88.530 79.140 36.830 1.00 0.00 C ATOM 1341 CG2 ILE A 82 90.890 78.400 36.670 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.700 80.390 36.010 1.00 0.00 C ATOM 1343 OXT ILE A 82 90.790 77.290 40.740 1.00 0.00 O ATOM 0 H ILE A 82 87.526 77.597 39.468 1.00 0.00 H new ATOM 0 HA ILE A 82 89.092 76.816 38.126 1.00 0.00 H new ATOM 0 HB ILE A 82 90.120 79.645 38.234 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.290 78.307 36.169 1.00 0.00 H new ATOM 0 HG13 ILE A 82 87.683 79.266 37.504 1.00 0.00 H new ATOM 0 HG21 ILE A 82 91.066 79.221 35.975 1.00 0.00 H new ATOM 0 HG22 ILE A 82 91.806 78.189 37.222 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.589 77.512 36.114 1.00 0.00 H new ATOM 0 HD11 ILE A 82 87.784 80.587 35.452 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.911 81.232 36.669 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.528 80.258 35.313 1.00 0.00 H new TER 1355 ILE A 82