USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 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 Set 1.1: A 60 THR OG1 : rot 35:sc= 1.19 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -5.95! C(o=-4.8!,f=-4.9!) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 TYR OH : rot 150:sc= -0.409 USER MOD Set 3.1: A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 LYS NZ :NH3+ 150:sc= -0.0701 (180deg=-0.0701) 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 : no HD1:sc= -4.02! C(o=-4!,f=-5!) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.0463 (180deg=-0.46) USER MOD Single : A 4 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 ASN : amide:sc= -0.835 K(o=-0.84,f=-1.9!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.244 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0185 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= -0.0123 F(o=-1.5!,f=-0.012) USER MOD Single : A 29 SER OG : rot -41:sc= 0.542 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 THR OG1 : rot 95:sc= 0.619 USER MOD Single : A 42 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.3!) USER MOD Single : A 44 HIS : no HE2:sc= 0.0417 K(o=0.042,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -106:sc= -3.76! (180deg=-6.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= -0.0275 (180deg=-1.48!) USER MOD Single : A 59 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.9) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.018 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 73 LYS NZ :NH3+ -123:sc= -0.629 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 85.700 60.460 38.600 1.00 0.00 N ATOM 2 CA SER A 1 84.330 60.450 39.110 1.00 0.00 C ATOM 3 C SER A 1 83.590 61.670 38.730 1.00 0.00 C ATOM 4 O SER A 1 83.930 62.710 39.220 1.00 0.00 O ATOM 5 CB SER A 1 84.350 60.320 40.600 1.00 0.00 C ATOM 6 OG SER A 1 83.060 60.410 41.160 1.00 0.00 O ATOM 0 H1 SER A 1 86.184 59.586 38.889 1.00 0.00 H new ATOM 0 H2 SER A 1 85.684 60.520 37.562 1.00 0.00 H new ATOM 0 H3 SER A 1 86.208 61.281 38.986 1.00 0.00 H new ATOM 0 HA SER A 1 83.817 59.598 38.665 1.00 0.00 H new ATOM 0 HB2 SER A 1 84.797 59.364 40.874 1.00 0.00 H new ATOM 0 HB3 SER A 1 84.983 61.100 41.023 1.00 0.00 H new ATOM 0 HG SER A 1 83.119 60.319 42.134 1.00 0.00 H new ATOM 14 N HIS A 2 82.700 61.620 37.750 1.00 0.00 N ATOM 15 CA HIS A 2 82.210 62.860 37.180 1.00 0.00 C ATOM 16 C HIS A 2 80.890 63.360 37.720 1.00 0.00 C ATOM 17 O HIS A 2 79.830 62.840 37.390 1.00 0.00 O ATOM 18 CB HIS A 2 82.150 62.690 35.690 1.00 0.00 C ATOM 19 CG HIS A 2 81.740 63.940 34.960 1.00 0.00 C ATOM 20 ND1 HIS A 2 80.570 64.620 35.210 1.00 0.00 N ATOM 21 CD2 HIS A 2 82.380 64.610 33.960 1.00 0.00 C ATOM 22 CE1 HIS A 2 80.470 65.600 34.350 1.00 0.00 C ATOM 23 NE2 HIS A 2 81.550 65.640 33.570 1.00 0.00 N ATOM 0 H HIS A 2 82.315 60.766 37.346 1.00 0.00 H new ATOM 0 HA HIS A 2 82.913 63.639 37.476 1.00 0.00 H new ATOM 0 HB2 HIS A 2 83.128 62.372 35.329 1.00 0.00 H new ATOM 0 HB3 HIS A 2 81.447 61.892 35.451 1.00 0.00 H new ATOM 0 HD2 HIS A 2 83.352 64.378 33.551 1.00 0.00 H new ATOM 0 HE1 HIS A 2 79.633 66.279 34.282 1.00 0.00 H new ATOM 0 HE2 HIS A 2 81.730 66.310 32.822 1.00 0.00 H new ATOM 31 N MET A 3 81.030 64.470 38.430 1.00 0.00 N ATOM 32 CA MET A 3 79.970 65.310 38.930 1.00 0.00 C ATOM 33 C MET A 3 79.830 66.600 38.310 1.00 0.00 C ATOM 34 O MET A 3 78.760 67.110 38.620 1.00 0.00 O ATOM 35 CB MET A 3 80.130 65.510 40.420 1.00 0.00 C ATOM 36 CG MET A 3 79.720 64.220 41.060 1.00 0.00 C ATOM 37 SD MET A 3 77.990 63.770 40.860 1.00 0.00 S ATOM 38 CE MET A 3 77.270 65.090 41.890 1.00 0.00 C ATOM 0 H MET A 3 81.952 64.825 38.685 1.00 0.00 H new ATOM 0 HA MET A 3 79.061 64.764 38.676 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.161 65.759 40.671 1.00 0.00 H new ATOM 0 HB3 MET A 3 79.509 66.334 40.771 1.00 0.00 H new ATOM 0 HG2 MET A 3 80.335 63.419 40.649 1.00 0.00 H new ATOM 0 HG3 MET A 3 79.941 64.277 42.126 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.250 64.821 42.165 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.868 65.215 42.792 1.00 0.00 H new ATOM 0 HE3 MET A 3 77.260 66.025 41.329 1.00 0.00 H new ATOM 48 N LYS A 4 80.660 67.020 37.330 1.00 0.00 N ATOM 49 CA LYS A 4 80.770 68.350 36.790 1.00 0.00 C ATOM 50 C LYS A 4 79.520 68.850 36.110 1.00 0.00 C ATOM 51 O LYS A 4 79.560 69.990 35.680 1.00 0.00 O ATOM 52 CB LYS A 4 81.960 68.410 35.840 1.00 0.00 C ATOM 53 CG LYS A 4 83.270 68.200 36.590 1.00 0.00 C ATOM 54 CD LYS A 4 84.440 68.220 35.610 1.00 0.00 C ATOM 55 CE LYS A 4 85.750 68.030 36.370 1.00 0.00 C ATOM 56 NZ LYS A 4 86.880 68.060 35.440 1.00 0.00 N ATOM 0 H LYS A 4 81.308 66.375 36.878 1.00 0.00 H new ATOM 0 HA LYS A 4 80.920 69.020 37.637 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.853 67.648 35.068 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.977 69.375 35.334 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.399 68.981 37.339 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.246 67.249 37.122 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.320 67.430 34.869 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.457 69.165 35.068 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.863 68.815 37.117 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.735 67.081 36.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.767 67.930 35.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.776 67.295 34.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.901 68.976 34.948 1.00 0.00 H new ATOM 70 N LEU A 5 78.490 68.060 35.770 1.00 0.00 N ATOM 71 CA LEU A 5 77.290 68.710 35.250 1.00 0.00 C ATOM 72 C LEU A 5 76.460 69.370 36.340 1.00 0.00 C ATOM 73 O LEU A 5 76.680 69.030 37.470 1.00 0.00 O ATOM 74 CB LEU A 5 76.460 67.720 34.430 1.00 0.00 C ATOM 75 CG LEU A 5 77.200 67.240 33.180 1.00 0.00 C ATOM 76 CD1 LEU A 5 76.400 66.200 32.440 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.460 68.370 32.230 1.00 0.00 C ATOM 0 H LEU A 5 78.463 67.043 35.840 1.00 0.00 H new ATOM 0 HA LEU A 5 77.616 69.516 34.593 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.205 66.861 35.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.522 68.191 34.136 1.00 0.00 H new ATOM 0 HG LEU A 5 78.143 66.817 33.525 1.00 0.00 H new ATOM 0 HD11 LEU A 5 76.951 65.878 31.556 1.00 0.00 H new ATOM 0 HD12 LEU A 5 76.226 65.344 33.091 1.00 0.00 H new ATOM 0 HD13 LEU A 5 75.443 66.625 32.136 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.987 67.994 31.353 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.512 68.812 31.922 1.00 0.00 H new ATOM 0 HD23 LEU A 5 78.070 69.127 32.723 1.00 0.00 H new ATOM 89 N VAL A 6 75.520 70.230 35.920 1.00 0.00 N ATOM 90 CA VAL A 6 74.180 70.460 36.460 1.00 0.00 C ATOM 91 C VAL A 6 73.170 70.280 35.370 1.00 0.00 C ATOM 92 O VAL A 6 73.440 70.510 34.200 1.00 0.00 O ATOM 93 CB VAL A 6 74.040 71.790 37.120 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.620 72.040 37.620 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.010 71.920 38.230 1.00 0.00 C ATOM 0 H VAL A 6 75.700 70.836 35.119 1.00 0.00 H new ATOM 0 HA VAL A 6 74.003 69.724 37.244 1.00 0.00 H new ATOM 0 HB VAL A 6 74.255 72.549 36.367 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.568 73.021 38.093 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.927 72.005 36.779 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.349 71.273 38.345 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.895 72.896 38.701 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.827 71.138 38.967 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.023 71.822 37.841 1.00 0.00 H new ATOM 105 N LEU A 7 71.980 69.820 35.760 1.00 0.00 N ATOM 106 CA LEU A 7 70.830 69.680 34.880 1.00 0.00 C ATOM 107 C LEU A 7 69.860 70.750 35.260 1.00 0.00 C ATOM 108 O LEU A 7 69.700 71.040 36.440 1.00 0.00 O ATOM 109 CB LEU A 7 70.200 68.280 35.040 1.00 0.00 C ATOM 110 CG LEU A 7 71.140 67.130 34.660 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.490 65.780 34.980 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.380 67.250 33.160 1.00 0.00 C ATOM 0 H LEU A 7 71.790 69.529 36.719 1.00 0.00 H new ATOM 0 HA LEU A 7 71.120 69.782 33.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.883 68.151 36.075 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.303 68.223 34.423 1.00 0.00 H new ATOM 0 HG LEU A 7 72.074 67.185 35.220 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.170 64.974 34.704 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.274 65.724 36.047 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.562 65.680 34.417 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.046 66.452 32.833 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.430 67.169 32.632 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.836 68.216 32.941 1.00 0.00 H new ATOM 124 N ALA A 8 69.140 71.270 34.270 1.00 0.00 N ATOM 125 CA ALA A 8 67.880 71.960 34.380 1.00 0.00 C ATOM 126 C ALA A 8 66.800 71.060 34.980 1.00 0.00 C ATOM 127 O ALA A 8 66.810 69.840 34.860 1.00 0.00 O ATOM 128 CB ALA A 8 67.430 72.410 32.990 1.00 0.00 C ATOM 0 H ALA A 8 69.455 71.210 33.302 1.00 0.00 H new ATOM 0 HA ALA A 8 68.020 72.818 35.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.477 72.933 33.068 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.177 73.080 32.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.314 71.539 32.345 1.00 0.00 H new ATOM 134 N LYS A 9 65.780 71.690 35.590 1.00 0.00 N ATOM 135 CA LYS A 9 64.510 71.060 35.870 1.00 0.00 C ATOM 136 C LYS A 9 63.740 70.620 34.630 1.00 0.00 C ATOM 137 O LYS A 9 63.170 69.540 34.620 1.00 0.00 O ATOM 138 CB LYS A 9 63.710 72.090 36.680 1.00 0.00 C ATOM 139 CG LYS A 9 62.310 71.550 36.970 1.00 0.00 C ATOM 140 CD LYS A 9 61.550 72.530 37.840 1.00 0.00 C ATOM 141 CE LYS A 9 60.140 72.040 38.090 1.00 0.00 C ATOM 142 NZ LYS A 9 59.210 73.060 38.590 1.00 0.00 N ATOM 0 H LYS A 9 65.831 72.661 35.899 1.00 0.00 H new ATOM 0 HA LYS A 9 64.677 70.131 36.415 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.225 72.310 37.615 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.641 73.026 36.126 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.773 71.387 36.036 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.380 70.584 37.470 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.069 72.660 38.790 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.521 73.507 37.357 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.743 71.632 37.161 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.178 71.221 38.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.272 72.635 38.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.560 73.435 39.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.139 73.834 37.899 1.00 0.00 H new ATOM 156 N ASN A 10 63.690 71.510 33.620 1.00 0.00 N ATOM 157 CA ASN A 10 62.670 71.550 32.580 1.00 0.00 C ATOM 158 C ASN A 10 62.730 70.350 31.690 1.00 0.00 C ATOM 159 O ASN A 10 61.670 69.900 31.290 1.00 0.00 O ATOM 160 CB ASN A 10 62.850 72.820 31.730 1.00 0.00 C ATOM 161 CG ASN A 10 62.420 74.040 32.470 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.850 73.980 33.540 1.00 0.00 O ATOM 163 ND2 ASN A 10 62.630 75.230 31.990 1.00 0.00 N ATOM 0 H ASN A 10 64.390 72.244 33.511 1.00 0.00 H new ATOM 0 HA ASN A 10 61.698 71.555 33.072 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.896 72.919 31.440 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.272 72.728 30.811 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.320 76.051 32.509 1.00 0.00 H new ATOM 0 HD22 ASN A 10 63.105 75.342 31.094 1.00 0.00 H new ATOM 170 N THR A 11 63.900 69.820 31.380 1.00 0.00 N ATOM 171 CA THR A 11 63.870 68.760 30.390 1.00 0.00 C ATOM 172 C THR A 11 63.980 67.370 30.990 1.00 0.00 C ATOM 173 O THR A 11 63.330 66.450 30.490 1.00 0.00 O ATOM 174 CB THR A 11 64.970 68.980 29.390 1.00 0.00 C ATOM 175 OG1 THR A 11 66.170 69.090 30.110 1.00 0.00 O ATOM 176 CG2 THR A 11 64.720 70.290 28.640 1.00 0.00 C ATOM 0 H THR A 11 64.811 70.077 31.761 1.00 0.00 H new ATOM 0 HA THR A 11 62.896 68.806 29.903 1.00 0.00 H new ATOM 0 HB THR A 11 65.012 68.160 28.674 1.00 0.00 H new ATOM 0 HG1 THR A 11 66.726 69.793 29.713 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.517 70.451 27.914 1.00 0.00 H new ATOM 0 HG22 THR A 11 63.763 70.236 28.122 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.702 71.118 29.349 1.00 0.00 H new ATOM 184 N ARG A 12 64.810 67.230 32.010 1.00 0.00 N ATOM 185 CA ARG A 12 65.070 65.920 32.610 1.00 0.00 C ATOM 186 C ARG A 12 63.960 65.580 33.530 1.00 0.00 C ATOM 187 O ARG A 12 63.440 64.480 33.470 1.00 0.00 O ATOM 188 CB ARG A 12 66.410 65.860 33.360 1.00 0.00 C ATOM 189 CG ARG A 12 67.600 66.120 32.450 1.00 0.00 C ATOM 190 CD ARG A 12 67.940 64.930 31.570 1.00 0.00 C ATOM 191 NE ARG A 12 66.880 64.640 30.590 1.00 0.00 N ATOM 192 CZ ARG A 12 66.670 65.350 29.500 1.00 0.00 C ATOM 193 NH1 ARG A 12 67.460 66.340 29.200 1.00 0.00 N ATOM 194 NH2 ARG A 12 65.660 65.110 28.720 1.00 0.00 N ATOM 0 H ARG A 12 65.317 68.002 32.443 1.00 0.00 H new ATOM 0 HA ARG A 12 65.134 65.194 31.799 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.405 66.595 34.165 1.00 0.00 H new ATOM 0 HB3 ARG A 12 66.519 64.880 33.824 1.00 0.00 H new ATOM 0 HG2 ARG A 12 67.387 66.983 31.819 1.00 0.00 H new ATOM 0 HG3 ARG A 12 68.468 66.376 33.058 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.875 65.125 31.044 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.103 64.053 32.196 1.00 0.00 H new ATOM 0 HE ARG A 12 66.271 63.841 30.766 1.00 0.00 H new ATOM 0 HH11 ARG A 12 68.245 66.569 29.810 1.00 0.00 H new ATOM 0 HH12 ARG A 12 67.294 66.887 28.355 1.00 0.00 H new ATOM 0 HH21 ARG A 12 65.009 64.358 28.946 1.00 0.00 H new ATOM 0 HH22 ARG A 12 65.518 65.673 27.882 1.00 0.00 H new ATOM 208 N LYS A 13 63.560 66.520 34.390 1.00 0.00 N ATOM 209 CA LYS A 13 63.390 66.260 35.810 1.00 0.00 C ATOM 210 C LYS A 13 63.630 64.820 36.250 1.00 0.00 C ATOM 211 O LYS A 13 62.730 64.000 36.170 1.00 0.00 O ATOM 212 CB LYS A 13 61.970 66.720 36.160 1.00 0.00 C ATOM 213 CG LYS A 13 61.540 66.260 37.560 1.00 0.00 C ATOM 214 CD LYS A 13 60.160 66.790 37.890 1.00 0.00 C ATOM 215 CE LYS A 13 59.710 66.300 39.260 1.00 0.00 C ATOM 216 NZ LYS A 13 58.330 66.760 39.550 1.00 0.00 N ATOM 0 H LYS A 13 63.347 67.479 34.116 1.00 0.00 H new ATOM 0 HA LYS A 13 64.159 66.809 36.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.918 67.807 36.105 1.00 0.00 H new ATOM 0 HB3 LYS A 13 61.271 66.330 35.420 1.00 0.00 H new ATOM 0 HG2 LYS A 13 61.539 65.171 37.607 1.00 0.00 H new ATOM 0 HG3 LYS A 13 62.258 66.611 38.301 1.00 0.00 H new ATOM 0 HD2 LYS A 13 60.170 67.880 37.873 1.00 0.00 H new ATOM 0 HD3 LYS A 13 59.449 66.466 37.130 1.00 0.00 H new ATOM 0 HE2 LYS A 13 59.751 65.211 39.295 1.00 0.00 H new ATOM 0 HE3 LYS A 13 60.391 66.670 40.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 58.083 66.520 40.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 58.273 67.790 39.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 57.665 66.293 38.901 1.00 0.00 H new ATOM 230 N SER A 14 64.740 64.510 36.910 1.00 0.00 N ATOM 231 CA SER A 14 64.740 63.510 38.000 1.00 0.00 C ATOM 232 C SER A 14 64.770 64.020 39.450 1.00 0.00 C ATOM 233 O SER A 14 63.760 64.000 40.160 1.00 0.00 O ATOM 234 CB SER A 14 65.820 62.500 37.710 1.00 0.00 C ATOM 235 OG SER A 14 67.040 63.150 37.840 1.00 0.00 O ATOM 0 H SER A 14 65.651 64.927 36.720 1.00 0.00 H new ATOM 0 HA SER A 14 63.749 63.056 37.981 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.756 61.660 38.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 65.706 62.094 36.705 1.00 0.00 H new ATOM 0 HG SER A 14 67.768 62.519 37.659 1.00 0.00 H new ATOM 241 N ASP A 15 65.740 64.710 39.960 1.00 0.00 N ATOM 242 CA ASP A 15 65.770 65.510 41.190 1.00 0.00 C ATOM 243 C ASP A 15 66.500 66.880 41.110 1.00 0.00 C ATOM 244 O ASP A 15 66.710 67.550 42.110 1.00 0.00 O ATOM 245 CB ASP A 15 66.490 64.610 42.160 1.00 0.00 C ATOM 246 CG ASP A 15 67.890 64.230 41.610 1.00 0.00 C ATOM 247 OD1 ASP A 15 68.260 64.580 40.470 1.00 0.00 O ATOM 248 OD2 ASP A 15 68.610 63.460 42.270 1.00 0.00 O ATOM 0 H ASP A 15 66.643 64.744 39.487 1.00 0.00 H new ATOM 0 HA ASP A 15 64.753 65.796 41.459 1.00 0.00 H new ATOM 0 HB2 ASP A 15 66.594 65.112 43.122 1.00 0.00 H new ATOM 0 HB3 ASP A 15 65.903 63.708 42.333 1.00 0.00 H new ATOM 253 N ALA A 16 66.730 67.450 39.930 1.00 0.00 N ATOM 254 CA ALA A 16 67.970 68.160 39.540 1.00 0.00 C ATOM 255 C ALA A 16 67.860 69.630 39.830 1.00 0.00 C ATOM 256 O ALA A 16 68.730 70.430 39.510 1.00 0.00 O ATOM 257 CB ALA A 16 68.230 68.000 38.040 1.00 0.00 C ATOM 0 H ALA A 16 66.037 67.436 39.181 1.00 0.00 H new ATOM 0 HA ALA A 16 68.786 67.725 40.117 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.145 68.528 37.771 1.00 0.00 H new ATOM 0 HB2 ALA A 16 68.338 66.942 37.800 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.393 68.416 37.479 1.00 0.00 H new ATOM 263 N LYS A 17 66.700 69.960 40.380 1.00 0.00 N ATOM 264 CA LYS A 17 66.110 71.260 40.530 1.00 0.00 C ATOM 265 C LYS A 17 66.980 72.150 41.370 1.00 0.00 C ATOM 266 O LYS A 17 67.080 73.320 41.000 1.00 0.00 O ATOM 267 CB LYS A 17 64.730 71.100 41.160 1.00 0.00 C ATOM 268 CG LYS A 17 63.800 70.300 40.260 1.00 0.00 C ATOM 269 CD LYS A 17 62.420 70.200 40.900 1.00 0.00 C ATOM 270 CE LYS A 17 61.480 69.420 40.000 1.00 0.00 C ATOM 271 NZ LYS A 17 60.160 69.390 40.660 1.00 0.00 N ATOM 0 H LYS A 17 66.094 69.238 40.770 1.00 0.00 H new ATOM 0 HA LYS A 17 66.013 71.731 39.552 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.824 70.601 42.125 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.299 72.083 41.350 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.724 70.778 39.283 1.00 0.00 H new ATOM 0 HG3 LYS A 17 64.208 69.303 40.096 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.496 69.710 41.871 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.020 71.198 41.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.408 69.891 39.020 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.853 68.408 39.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.412 69.346 39.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.098 68.553 41.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 60.038 70.250 41.232 1.00 0.00 H new ATOM 285 N SER A 18 67.590 71.640 42.460 1.00 0.00 N ATOM 286 CA SER A 18 68.460 72.490 43.280 1.00 0.00 C ATOM 287 C SER A 18 69.970 72.350 43.160 1.00 0.00 C ATOM 288 O SER A 18 70.700 73.040 43.880 1.00 0.00 O ATOM 289 CB SER A 18 68.100 72.330 44.740 1.00 0.00 C ATOM 290 OG SER A 18 68.220 70.980 45.140 1.00 0.00 O ATOM 0 H SER A 18 67.498 70.676 42.781 1.00 0.00 H new ATOM 0 HA SER A 18 68.255 73.477 42.864 1.00 0.00 H new ATOM 0 HB2 SER A 18 68.752 72.955 45.351 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.080 72.675 44.908 1.00 0.00 H new ATOM 0 HG SER A 18 67.985 70.897 46.088 1.00 0.00 H new ATOM 296 N VAL A 19 70.450 71.510 42.260 1.00 0.00 N ATOM 297 CA VAL A 19 71.810 71.010 42.310 1.00 0.00 C ATOM 298 C VAL A 19 72.880 72.050 42.110 1.00 0.00 C ATOM 299 O VAL A 19 73.860 72.030 42.850 1.00 0.00 O ATOM 300 CB VAL A 19 71.920 69.960 41.250 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.320 69.490 41.150 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.110 68.770 41.610 1.00 0.00 C ATOM 0 H VAL A 19 69.906 71.156 41.473 1.00 0.00 H new ATOM 0 HA VAL A 19 71.986 70.627 43.315 1.00 0.00 H new ATOM 0 HB VAL A 19 71.575 70.402 40.315 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.393 68.726 40.376 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.968 70.328 40.894 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.632 69.069 42.106 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.202 68.017 40.827 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.468 68.358 42.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 70.064 69.059 41.714 1.00 0.00 H new ATOM 312 N GLU A 20 72.710 73.000 41.190 1.00 0.00 N ATOM 313 CA GLU A 20 73.770 73.940 41.000 1.00 0.00 C ATOM 314 C GLU A 20 73.940 74.750 42.240 1.00 0.00 C ATOM 315 O GLU A 20 75.060 74.920 42.670 1.00 0.00 O ATOM 316 CB GLU A 20 73.470 74.870 39.870 1.00 0.00 C ATOM 317 CG GLU A 20 74.590 75.830 39.640 1.00 0.00 C ATOM 318 CD GLU A 20 75.930 75.300 39.230 1.00 0.00 C ATOM 319 OE1 GLU A 20 76.050 74.100 39.120 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.880 76.020 38.900 1.00 0.00 O ATOM 0 H GLU A 20 71.886 73.123 40.601 1.00 0.00 H new ATOM 0 HA GLU A 20 74.678 73.383 40.772 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.290 74.295 38.962 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.555 75.422 40.084 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.267 76.535 38.874 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.729 76.400 40.559 1.00 0.00 H new ATOM 327 N LEU A 21 72.860 75.220 42.870 1.00 0.00 N ATOM 328 CA LEU A 21 73.060 76.120 44.000 1.00 0.00 C ATOM 329 C LEU A 21 73.880 75.470 45.110 1.00 0.00 C ATOM 330 O LEU A 21 74.760 76.100 45.690 1.00 0.00 O ATOM 331 CB LEU A 21 71.710 76.600 44.530 1.00 0.00 C ATOM 332 CG LEU A 21 70.940 77.490 43.550 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.570 77.840 44.070 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.680 78.760 43.200 1.00 0.00 C ATOM 0 H LEU A 21 71.891 75.006 42.633 1.00 0.00 H new ATOM 0 HA LEU A 21 73.630 76.979 43.647 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.098 75.732 44.776 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.870 77.150 45.457 1.00 0.00 H new ATOM 0 HG LEU A 21 70.840 76.897 42.641 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.056 78.472 43.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.996 76.927 44.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.665 78.375 45.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.084 79.348 42.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.856 79.340 44.106 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.635 78.509 42.739 1.00 0.00 H new ATOM 346 N GLU A 22 73.520 74.250 45.470 1.00 0.00 N ATOM 347 CA GLU A 22 74.300 73.470 46.440 1.00 0.00 C ATOM 348 C GLU A 22 75.690 73.160 45.990 1.00 0.00 C ATOM 349 O GLU A 22 76.610 73.310 46.800 1.00 0.00 O ATOM 350 CB GLU A 22 73.610 72.160 46.750 1.00 0.00 C ATOM 351 CG GLU A 22 72.330 72.440 47.470 1.00 0.00 C ATOM 352 CD GLU A 22 71.650 71.160 47.760 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.110 70.010 47.510 1.00 0.00 O ATOM 354 OE2 GLU A 22 70.520 71.420 48.240 1.00 0.00 O ATOM 0 H GLU A 22 72.695 73.771 45.110 1.00 0.00 H new ATOM 0 HA GLU A 22 74.366 74.104 47.324 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.411 71.612 45.829 1.00 0.00 H new ATOM 0 HB3 GLU A 22 74.256 71.530 47.362 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.529 72.979 48.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.688 73.078 46.862 1.00 0.00 H new ATOM 361 N ASP A 23 75.860 72.830 44.710 1.00 0.00 N ATOM 362 CA ASP A 23 77.170 72.530 44.210 1.00 0.00 C ATOM 363 C ASP A 23 78.000 73.750 44.190 1.00 0.00 C ATOM 364 O ASP A 23 79.150 73.660 44.530 1.00 0.00 O ATOM 365 CB ASP A 23 77.090 71.940 42.800 1.00 0.00 C ATOM 366 CG ASP A 23 76.590 70.540 42.880 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.520 70.030 44.030 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.300 69.920 41.830 1.00 0.00 O ATOM 0 H ASP A 23 75.110 72.768 44.022 1.00 0.00 H new ATOM 0 HA ASP A 23 77.626 71.795 44.873 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.425 72.541 42.179 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.072 71.961 42.328 1.00 0.00 H new ATOM 373 N LEU A 24 77.420 74.920 43.960 1.00 0.00 N ATOM 374 CA LEU A 24 78.190 76.140 43.920 1.00 0.00 C ATOM 375 C LEU A 24 78.990 76.280 45.220 1.00 0.00 C ATOM 376 O LEU A 24 80.210 76.420 45.220 1.00 0.00 O ATOM 377 CB LEU A 24 77.250 77.330 43.720 1.00 0.00 C ATOM 378 CG LEU A 24 76.700 77.510 42.320 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.670 78.630 42.260 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.800 77.780 41.350 1.00 0.00 C ATOM 0 H LEU A 24 76.420 75.043 43.799 1.00 0.00 H new ATOM 0 HA LEU A 24 78.891 76.113 43.086 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.411 77.226 44.408 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.781 78.239 44.001 1.00 0.00 H new ATOM 0 HG LEU A 24 76.205 76.578 42.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.299 78.729 41.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.840 78.397 42.927 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.133 79.567 42.570 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.382 77.906 40.351 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.326 78.689 41.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.497 76.942 41.348 1.00 0.00 H new ATOM 392 N TYR A 25 78.270 76.210 46.330 1.00 0.00 N ATOM 393 CA TYR A 25 78.870 76.310 47.660 1.00 0.00 C ATOM 394 C TYR A 25 79.800 75.120 47.910 1.00 0.00 C ATOM 395 O TYR A 25 80.900 75.290 48.430 1.00 0.00 O ATOM 396 CB TYR A 25 77.780 76.380 48.730 1.00 0.00 C ATOM 397 CG TYR A 25 78.350 76.590 50.120 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.750 75.500 50.880 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.560 77.860 50.660 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.310 75.610 52.120 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.080 77.990 51.970 1.00 0.00 C ATOM 402 CZ TYR A 25 79.420 76.830 52.670 1.00 0.00 C ATOM 403 OH TYR A 25 79.930 76.780 53.910 1.00 0.00 O ATOM 0 H TYR A 25 77.258 76.083 46.339 1.00 0.00 H new ATOM 0 HA TYR A 25 79.460 77.225 47.713 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.094 77.194 48.494 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.198 75.458 48.714 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.611 74.511 50.468 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.326 78.741 50.080 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.657 74.734 52.648 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.211 78.964 52.418 1.00 0.00 H new ATOM 0 HH TYR A 25 79.995 77.688 54.274 1.00 0.00 H new ATOM 413 N HIS A 26 79.280 73.920 47.610 1.00 0.00 N ATOM 414 CA HIS A 26 79.930 72.700 48.020 1.00 0.00 C ATOM 415 C HIS A 26 81.200 72.430 47.280 1.00 0.00 C ATOM 416 O HIS A 26 82.220 72.150 47.890 1.00 0.00 O ATOM 417 CB HIS A 26 79.010 71.480 47.940 1.00 0.00 C ATOM 418 CG HIS A 26 77.830 71.400 48.870 1.00 0.00 C ATOM 419 ND1 HIS A 26 77.530 72.250 49.880 1.00 0.00 N flip ATOM 420 CD2 HIS A 26 76.830 70.450 48.890 1.00 0.00 C flip ATOM 421 CE1 HIS A 26 76.360 71.910 50.470 1.00 0.00 C flip ATOM 422 NE2 HIS A 26 75.950 70.820 49.830 1.00 0.00 N flip ATOM 0 H HIS A 26 78.415 73.785 47.087 1.00 0.00 H new ATOM 0 HA HIS A 26 80.185 72.866 49.067 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.631 71.419 46.920 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.622 70.594 48.106 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.768 69.572 48.265 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.866 72.416 51.286 1.00 0.00 H new ATOM 0 HE2 HIS A 26 75.078 70.329 50.029 1.00 0.00 H new ATOM 430 N GLU A 27 81.120 72.610 45.970 1.00 0.00 N ATOM 431 CA GLU A 27 82.220 72.470 45.070 1.00 0.00 C ATOM 432 C GLU A 27 83.310 73.410 45.410 1.00 0.00 C ATOM 433 O GLU A 27 84.450 72.970 45.490 1.00 0.00 O ATOM 434 CB GLU A 27 81.790 72.640 43.640 1.00 0.00 C ATOM 435 CG GLU A 27 80.880 71.500 43.190 1.00 0.00 C ATOM 436 CD GLU A 27 80.410 71.700 41.770 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.630 72.780 41.190 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.040 70.650 41.220 1.00 0.00 O ATOM 0 H GLU A 27 80.250 72.866 45.503 1.00 0.00 H new ATOM 0 HA GLU A 27 82.603 71.455 45.180 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.268 73.590 43.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.669 72.681 42.997 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.414 70.553 43.268 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.018 71.436 43.855 1.00 0.00 H new ATOM 445 N PHE A 28 82.960 74.670 45.690 1.00 0.00 N ATOM 446 CA PHE A 28 83.900 75.700 46.040 1.00 0.00 C ATOM 447 C PHE A 28 84.660 75.350 47.320 1.00 0.00 C ATOM 448 O PHE A 28 85.870 75.520 47.390 1.00 0.00 O ATOM 449 CB PHE A 28 83.140 77.010 46.210 1.00 0.00 C ATOM 450 CG PHE A 28 84.040 78.130 46.650 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.300 78.340 48.010 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.640 78.940 45.680 1.00 0.00 C ATOM 453 CE1 PHE A 28 85.160 79.360 48.410 1.00 0.00 C ATOM 454 CE2 PHE A 28 85.560 79.930 46.080 1.00 0.00 C ATOM 455 CZ PHE A 28 85.860 80.100 47.440 1.00 0.00 C ATOM 0 H PHE A 28 81.992 74.992 45.675 1.00 0.00 H new ATOM 0 HA PHE A 28 84.639 75.797 45.245 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.663 77.277 45.267 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.344 76.875 46.943 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.832 77.709 48.751 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.401 78.808 44.635 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.289 79.582 49.459 1.00 0.00 H new ATOM 0 HE2 PHE A 28 86.034 80.558 45.340 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.627 80.798 47.742 1.00 0.00 H new ATOM 465 N SER A 29 83.920 74.960 48.350 1.00 0.00 N ATOM 466 CA SER A 29 84.520 74.680 49.660 1.00 0.00 C ATOM 467 C SER A 29 85.450 73.480 49.620 1.00 0.00 C ATOM 468 O SER A 29 86.510 73.500 50.250 1.00 0.00 O ATOM 469 CB SER A 29 83.430 74.460 50.710 1.00 0.00 C ATOM 470 OG SER A 29 82.800 73.240 50.510 1.00 0.00 O ATOM 0 H SER A 29 82.909 74.829 48.311 1.00 0.00 H new ATOM 0 HA SER A 29 85.116 75.551 49.932 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.867 74.491 51.708 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.698 75.266 50.657 1.00 0.00 H new ATOM 0 HG SER A 29 82.663 73.096 49.550 1.00 0.00 H new ATOM 476 N GLU A 30 85.040 72.430 48.900 1.00 0.00 N ATOM 477 CA GLU A 30 85.710 71.140 48.910 1.00 0.00 C ATOM 478 C GLU A 30 86.840 71.040 47.900 1.00 0.00 C ATOM 479 O GLU A 30 87.910 70.520 48.190 1.00 0.00 O ATOM 480 CB GLU A 30 84.690 70.070 48.570 1.00 0.00 C ATOM 481 CG GLU A 30 83.680 69.920 49.690 1.00 0.00 C ATOM 482 CD GLU A 30 82.660 68.840 49.420 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.760 68.070 48.430 1.00 0.00 O ATOM 484 OE2 GLU A 30 82.010 68.560 50.450 1.00 0.00 O ATOM 0 H GLU A 30 84.224 72.460 48.289 1.00 0.00 H new ATOM 0 HA GLU A 30 86.141 71.011 49.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.178 70.330 47.644 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.195 69.119 48.399 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.205 69.693 50.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 83.166 70.870 49.838 1.00 0.00 H new ATOM 491 N ASP A 31 86.590 71.550 46.690 1.00 0.00 N ATOM 492 CA ASP A 31 87.330 71.310 45.480 1.00 0.00 C ATOM 493 C ASP A 31 87.610 72.660 44.780 1.00 0.00 C ATOM 494 O ASP A 31 86.940 73.650 45.010 1.00 0.00 O ATOM 495 CB ASP A 31 86.500 70.380 44.560 1.00 0.00 C ATOM 496 CG ASP A 31 87.230 69.990 43.300 1.00 0.00 C ATOM 497 OD1 ASP A 31 88.490 70.030 43.290 1.00 0.00 O ATOM 498 OD2 ASP A 31 86.540 69.560 42.340 1.00 0.00 O ATOM 0 H ASP A 31 85.806 72.184 46.536 1.00 0.00 H new ATOM 0 HA ASP A 31 88.282 70.829 45.705 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.232 69.479 45.111 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.569 70.880 44.293 1.00 0.00 H new ATOM 503 N LYS A 32 88.600 72.740 43.900 1.00 0.00 N ATOM 504 CA LYS A 32 88.630 73.780 42.860 1.00 0.00 C ATOM 505 C LYS A 32 88.310 73.170 41.500 1.00 0.00 C ATOM 506 O LYS A 32 88.870 72.150 41.110 1.00 0.00 O ATOM 507 CB LYS A 32 89.990 74.480 42.850 1.00 0.00 C ATOM 508 CG LYS A 32 90.290 75.170 44.180 1.00 0.00 C ATOM 509 CD LYS A 32 91.680 75.810 44.150 1.00 0.00 C ATOM 510 CE LYS A 32 91.940 76.530 45.470 1.00 0.00 C ATOM 511 NZ LYS A 32 93.270 77.140 45.420 1.00 0.00 N ATOM 0 H LYS A 32 89.395 72.102 43.879 1.00 0.00 H new ATOM 0 HA LYS A 32 87.870 74.529 43.081 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.771 73.751 42.636 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.013 75.216 42.047 1.00 0.00 H new ATOM 0 HG2 LYS A 32 89.537 75.932 44.379 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.234 74.446 44.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.440 75.046 43.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.750 76.514 43.320 1.00 0.00 H new ATOM 0 HE2 LYS A 32 91.181 77.293 45.640 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.878 75.828 46.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 93.459 77.634 46.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.986 76.400 45.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.311 77.820 44.634 1.00 0.00 H new ATOM 525 N ARG A 33 87.370 73.770 40.760 1.00 0.00 N ATOM 526 CA ARG A 33 86.460 72.970 39.940 1.00 0.00 C ATOM 527 C ARG A 33 85.910 73.760 38.790 1.00 0.00 C ATOM 528 O ARG A 33 85.910 74.980 38.790 1.00 0.00 O ATOM 529 CB ARG A 33 85.310 72.440 40.830 1.00 0.00 C ATOM 530 CG ARG A 33 84.380 71.530 40.040 1.00 0.00 C ATOM 531 CD ARG A 33 83.250 71.040 40.890 1.00 0.00 C ATOM 532 NE ARG A 33 83.730 70.240 41.970 1.00 0.00 N ATOM 533 CZ ARG A 33 83.250 69.050 42.220 1.00 0.00 C ATOM 534 NH1 ARG A 33 82.390 68.440 41.450 1.00 0.00 N ATOM 535 NH2 ARG A 33 83.680 68.420 43.270 1.00 0.00 N ATOM 0 H ARG A 33 87.223 74.778 40.713 1.00 0.00 H new ATOM 0 HA ARG A 33 87.018 72.134 39.518 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.724 71.894 41.678 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.744 73.279 41.236 1.00 0.00 H new ATOM 0 HG2 ARG A 33 83.984 72.069 39.180 1.00 0.00 H new ATOM 0 HG3 ARG A 33 84.942 70.680 39.652 1.00 0.00 H new ATOM 0 HD2 ARG A 33 82.691 71.889 41.283 1.00 0.00 H new ATOM 0 HD3 ARG A 33 82.559 70.458 40.281 1.00 0.00 H new ATOM 0 HE ARG A 33 84.471 70.609 42.566 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.056 68.893 40.599 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.052 67.510 41.699 1.00 0.00 H new ATOM 0 HH21 ARG A 33 84.375 68.855 43.876 1.00 0.00 H new ATOM 0 HH22 ARG A 33 83.322 67.490 43.489 1.00 0.00 H new ATOM 549 N SER A 34 85.450 73.050 37.770 1.00 0.00 N ATOM 550 CA SER A 34 84.560 73.630 36.800 1.00 0.00 C ATOM 551 C SER A 34 83.280 72.820 36.630 1.00 0.00 C ATOM 552 O SER A 34 83.250 71.630 36.960 1.00 0.00 O ATOM 553 CB SER A 34 85.350 73.710 35.510 1.00 0.00 C ATOM 554 OG SER A 34 85.620 72.420 34.970 1.00 0.00 O ATOM 0 H SER A 34 85.684 72.072 37.601 1.00 0.00 H new ATOM 0 HA SER A 34 84.224 74.615 37.123 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.795 74.300 34.781 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.290 74.231 35.692 1.00 0.00 H new ATOM 0 HG SER A 34 86.129 72.514 34.138 1.00 0.00 H new ATOM 560 N ILE A 35 82.270 73.430 36.010 1.00 0.00 N ATOM 561 CA ILE A 35 80.950 72.850 35.790 1.00 0.00 C ATOM 562 C ILE A 35 80.540 73.060 34.340 1.00 0.00 C ATOM 563 O ILE A 35 81.070 73.950 33.680 1.00 0.00 O ATOM 564 CB ILE A 35 79.890 73.460 36.760 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.240 73.200 38.210 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.480 72.920 36.450 1.00 0.00 C ATOM 567 CD1 ILE A 35 80.270 71.760 38.470 1.00 0.00 C ATOM 0 H ILE A 35 82.354 74.375 35.635 1.00 0.00 H new ATOM 0 HA ILE A 35 81.000 71.781 35.999 1.00 0.00 H new ATOM 0 HB ILE A 35 79.895 74.538 36.600 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.210 73.640 38.442 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.509 73.680 38.860 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.761 73.361 37.141 1.00 0.00 H new ATOM 0 HG22 ILE A 35 78.207 73.180 35.427 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.473 71.836 36.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 80.523 71.584 39.516 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.291 71.331 38.256 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.019 71.291 37.832 1.00 0.00 H new ATOM 579 N PHE A 36 79.630 72.210 33.840 1.00 0.00 N ATOM 580 CA PHE A 36 78.790 72.430 32.650 1.00 0.00 C ATOM 581 C PHE A 36 77.330 72.440 33.070 1.00 0.00 C ATOM 582 O PHE A 36 76.830 71.490 33.680 1.00 0.00 O ATOM 583 CB PHE A 36 79.000 71.340 31.610 1.00 0.00 C ATOM 584 CG PHE A 36 80.220 71.500 30.780 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.420 70.940 31.240 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.170 72.190 29.570 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.590 71.100 30.500 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.350 72.370 28.840 1.00 0.00 C ATOM 589 CZ PHE A 36 82.570 71.870 29.330 1.00 0.00 C ATOM 0 H PHE A 36 79.450 71.305 34.275 1.00 0.00 H new ATOM 0 HA PHE A 36 79.071 73.385 32.205 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.047 70.377 32.118 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.131 71.312 30.953 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.438 70.385 32.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.233 72.580 29.201 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.507 70.633 30.827 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.324 72.895 27.897 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.490 72.079 28.805 1.00 0.00 H new ATOM 599 N TYR A 37 76.620 73.470 32.650 1.00 0.00 N ATOM 600 CA TYR A 37 75.200 73.590 32.980 1.00 0.00 C ATOM 601 C TYR A 37 74.290 73.330 31.810 1.00 0.00 C ATOM 602 O TYR A 37 74.160 74.150 30.900 1.00 0.00 O ATOM 603 CB TYR A 37 74.950 74.950 33.560 1.00 0.00 C ATOM 604 CG TYR A 37 73.530 75.190 33.970 1.00 0.00 C ATOM 605 CD1 TYR A 37 73.060 74.630 35.150 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.660 75.940 33.180 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.740 74.770 35.580 1.00 0.00 C ATOM 608 CE2 TYR A 37 71.350 76.150 33.650 1.00 0.00 C ATOM 609 CZ TYR A 37 70.870 75.540 34.810 1.00 0.00 C ATOM 610 OH TYR A 37 69.590 75.720 35.220 1.00 0.00 O ATOM 0 H TYR A 37 76.993 74.233 32.084 1.00 0.00 H new ATOM 0 HA TYR A 37 74.964 72.817 33.711 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.595 75.087 34.428 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.237 75.704 32.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.745 74.062 35.761 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.982 76.349 32.234 1.00 0.00 H new ATOM 0 HE1 TYR A 37 71.401 74.293 36.488 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.695 76.805 33.095 1.00 0.00 H new ATOM 0 HH TYR A 37 69.187 76.460 34.719 1.00 0.00 H new ATOM 620 N PHE A 38 73.630 72.170 31.870 1.00 0.00 N ATOM 621 CA PHE A 38 72.720 71.630 30.880 1.00 0.00 C ATOM 622 C PHE A 38 71.330 72.180 31.100 1.00 0.00 C ATOM 623 O PHE A 38 70.540 71.640 31.890 1.00 0.00 O ATOM 624 CB PHE A 38 72.690 70.100 30.970 1.00 0.00 C ATOM 625 CG PHE A 38 71.610 69.500 30.100 1.00 0.00 C ATOM 626 CD1 PHE A 38 71.870 69.210 28.750 1.00 0.00 C ATOM 627 CD2 PHE A 38 70.330 69.230 30.610 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.890 68.600 27.950 1.00 0.00 C ATOM 629 CE2 PHE A 38 69.330 68.710 29.790 1.00 0.00 C ATOM 630 CZ PHE A 38 69.620 68.370 28.470 1.00 0.00 C ATOM 0 H PHE A 38 73.731 71.547 32.671 1.00 0.00 H new ATOM 0 HA PHE A 38 73.068 71.922 29.889 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.659 69.701 30.671 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.528 69.801 32.006 1.00 0.00 H new ATOM 0 HD1 PHE A 38 72.831 69.458 28.324 1.00 0.00 H new ATOM 0 HD2 PHE A 38 70.118 69.428 31.650 1.00 0.00 H new ATOM 0 HE1 PHE A 38 71.121 68.311 26.935 1.00 0.00 H new ATOM 0 HE2 PHE A 38 68.331 68.571 30.177 1.00 0.00 H new ATOM 0 HZ PHE A 38 68.856 67.926 27.848 1.00 0.00 H new ATOM 640 N ALA A 39 70.980 73.280 30.470 1.00 0.00 N ATOM 641 CA ALA A 39 69.640 73.800 30.600 1.00 0.00 C ATOM 642 C ALA A 39 69.070 74.370 29.320 1.00 0.00 C ATOM 643 O ALA A 39 69.770 74.950 28.500 1.00 0.00 O ATOM 644 CB ALA A 39 69.650 74.800 31.710 1.00 0.00 C ATOM 0 H ALA A 39 71.598 73.825 29.869 1.00 0.00 H new ATOM 0 HA ALA A 39 68.968 72.974 30.833 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.650 75.214 31.836 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.960 74.314 32.635 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.347 75.603 31.470 1.00 0.00 H new ATOM 650 N PRO A 40 67.760 74.240 29.140 1.00 0.00 N ATOM 651 CA PRO A 40 67.260 73.430 28.050 1.00 0.00 C ATOM 652 C PRO A 40 67.580 73.980 26.670 1.00 0.00 C ATOM 653 O PRO A 40 67.440 75.190 26.480 1.00 0.00 O ATOM 654 CB PRO A 40 65.750 73.440 28.310 1.00 0.00 C ATOM 655 CG PRO A 40 65.460 74.760 29.010 1.00 0.00 C ATOM 656 CD PRO A 40 66.730 75.010 29.800 1.00 0.00 C ATOM 0 HA PRO A 40 67.718 72.441 28.034 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.192 73.361 27.377 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.454 72.594 28.931 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.263 75.561 28.297 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.587 74.690 29.659 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.981 76.071 29.812 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.613 74.699 30.838 1.00 0.00 H new ATOM 664 N THR A 41 67.750 73.120 25.650 1.00 0.00 N ATOM 665 CA THR A 41 67.770 73.610 24.270 1.00 0.00 C ATOM 666 C THR A 41 66.420 74.100 23.850 1.00 0.00 C ATOM 667 O THR A 41 66.380 74.970 23.000 1.00 0.00 O ATOM 668 CB THR A 41 68.180 72.560 23.250 1.00 0.00 C ATOM 669 OG1 THR A 41 68.200 73.080 21.940 1.00 0.00 O ATOM 670 CG2 THR A 41 67.250 71.360 23.240 1.00 0.00 C ATOM 0 H THR A 41 67.872 72.113 25.754 1.00 0.00 H new ATOM 0 HA THR A 41 68.511 74.410 24.281 1.00 0.00 H new ATOM 0 HB THR A 41 69.179 72.250 23.555 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.110 73.368 21.716 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.590 70.642 22.493 1.00 0.00 H new ATOM 0 HG22 THR A 41 67.253 70.889 24.223 1.00 0.00 H new ATOM 0 HG23 THR A 41 66.239 71.685 22.996 1.00 0.00 H new ATOM 678 N ASN A 42 65.340 73.490 24.380 1.00 0.00 N ATOM 679 CA ASN A 42 63.930 73.640 24.040 1.00 0.00 C ATOM 680 C ASN A 42 63.220 74.870 24.570 1.00 0.00 C ATOM 681 O ASN A 42 62.350 75.360 23.870 1.00 0.00 O ATOM 682 CB ASN A 42 63.290 72.370 24.620 1.00 0.00 C ATOM 683 CG ASN A 42 63.790 71.160 23.850 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.140 71.290 22.710 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.720 69.970 24.420 1.00 0.00 N ATOM 0 H ASN A 42 65.458 72.813 25.133 1.00 0.00 H new ATOM 0 HA ASN A 42 63.838 73.773 22.962 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.541 72.272 25.676 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.204 72.434 24.555 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.967 69.135 23.889 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.419 69.887 25.391 1.00 0.00 H new ATOM 692 N ALA A 43 63.490 75.330 25.810 1.00 0.00 N ATOM 693 CA ALA A 43 62.800 76.540 26.280 1.00 0.00 C ATOM 694 C ALA A 43 63.690 77.730 26.690 1.00 0.00 C ATOM 695 O ALA A 43 63.130 78.770 26.740 1.00 0.00 O ATOM 696 CB ALA A 43 62.020 76.230 27.490 1.00 0.00 C ATOM 0 H ALA A 43 64.144 74.907 26.469 1.00 0.00 H new ATOM 0 HA ALA A 43 62.214 76.836 25.410 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.510 77.130 27.835 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.283 75.461 27.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.689 75.870 28.272 1.00 0.00 H new ATOM 702 N HIS A 44 64.990 77.500 26.780 1.00 0.00 N ATOM 703 CA HIS A 44 66.110 78.420 27.100 1.00 0.00 C ATOM 704 C HIS A 44 65.690 79.180 28.330 1.00 0.00 C ATOM 705 O HIS A 44 65.860 80.390 28.370 1.00 0.00 O ATOM 706 CB HIS A 44 66.530 79.420 25.960 1.00 0.00 C ATOM 707 CG HIS A 44 67.020 78.800 24.660 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.970 77.800 24.600 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.600 78.970 23.370 1.00 0.00 C ATOM 710 CE1 HIS A 44 68.070 77.410 23.320 1.00 0.00 C ATOM 711 NE2 HIS A 44 67.250 78.120 22.540 1.00 0.00 N ATOM 0 H HIS A 44 65.344 76.558 26.614 1.00 0.00 H new ATOM 0 HA HIS A 44 67.004 77.813 27.244 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.675 80.057 25.733 1.00 0.00 H new ATOM 0 HB3 HIS A 44 67.317 80.068 26.347 1.00 0.00 H new ATOM 0 HD1 HIS A 44 68.500 77.425 25.387 1.00 0.00 H new ATOM 0 HD2 HIS A 44 65.853 79.684 23.056 1.00 0.00 H new ATOM 0 HE1 HIS A 44 68.725 76.627 22.968 1.00 0.00 H new ATOM 719 N LYS A 45 65.070 78.540 29.340 1.00 0.00 N ATOM 720 CA LYS A 45 64.500 79.330 30.430 1.00 0.00 C ATOM 721 C LYS A 45 65.190 78.960 31.710 1.00 0.00 C ATOM 722 O LYS A 45 65.610 79.860 32.410 1.00 0.00 O ATOM 723 CB LYS A 45 62.990 79.160 30.590 1.00 0.00 C ATOM 724 CG LYS A 45 62.170 79.660 29.420 1.00 0.00 C ATOM 725 CD LYS A 45 60.680 79.440 29.510 1.00 0.00 C ATOM 726 CE LYS A 45 59.940 79.880 28.270 1.00 0.00 C ATOM 727 NZ LYS A 45 58.470 79.800 28.470 1.00 0.00 N ATOM 0 H LYS A 45 64.957 77.529 29.419 1.00 0.00 H new ATOM 0 HA LYS A 45 64.662 80.379 30.182 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.771 78.103 30.744 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.672 79.686 31.490 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.352 80.728 29.305 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.534 79.175 28.514 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.485 78.382 29.686 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.290 79.983 30.371 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.221 80.903 28.018 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.230 79.253 27.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.984 80.108 27.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.202 78.819 28.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.193 80.417 29.260 1.00 0.00 H new ATOM 741 N ASP A 46 65.410 77.670 31.960 1.00 0.00 N ATOM 742 CA ASP A 46 66.360 77.330 33.020 1.00 0.00 C ATOM 743 C ASP A 46 67.750 77.900 32.690 1.00 0.00 C ATOM 744 O ASP A 46 68.400 78.490 33.550 1.00 0.00 O ATOM 745 CB ASP A 46 66.420 75.830 33.330 1.00 0.00 C ATOM 746 CG ASP A 46 65.140 75.270 33.820 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.250 76.100 34.130 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.980 74.010 33.930 1.00 0.00 O ATOM 0 H ASP A 46 64.974 76.884 31.477 1.00 0.00 H new ATOM 0 HA ASP A 46 65.995 77.797 33.935 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.719 75.294 32.429 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.193 75.654 34.078 1.00 0.00 H new ATOM 753 N MET A 47 68.230 77.890 31.440 1.00 0.00 N ATOM 754 CA MET A 47 69.540 78.520 31.250 1.00 0.00 C ATOM 755 C MET A 47 69.590 80.040 31.450 1.00 0.00 C ATOM 756 O MET A 47 70.530 80.530 32.050 1.00 0.00 O ATOM 757 CB MET A 47 70.080 78.120 29.910 1.00 0.00 C ATOM 758 CG MET A 47 69.200 78.690 28.800 1.00 0.00 C ATOM 759 SD MET A 47 69.790 78.470 27.140 1.00 0.00 S ATOM 760 CE MET A 47 71.350 79.410 27.260 1.00 0.00 C ATOM 0 H MET A 47 67.781 77.492 30.615 1.00 0.00 H new ATOM 0 HA MET A 47 70.175 78.147 32.054 1.00 0.00 H new ATOM 0 HB2 MET A 47 71.102 78.483 29.798 1.00 0.00 H new ATOM 0 HB3 MET A 47 70.117 77.033 29.834 1.00 0.00 H new ATOM 0 HG2 MET A 47 68.213 78.233 28.876 1.00 0.00 H new ATOM 0 HG3 MET A 47 69.071 79.757 28.979 1.00 0.00 H new ATOM 0 HE1 MET A 47 71.244 80.360 26.736 1.00 0.00 H new ATOM 0 HE2 MET A 47 71.582 79.598 28.308 1.00 0.00 H new ATOM 0 HE3 MET A 47 72.157 78.834 26.808 1.00 0.00 H new ATOM 770 N LEU A 48 68.580 80.800 31.010 1.00 0.00 N ATOM 771 CA LEU A 48 68.610 82.250 31.200 1.00 0.00 C ATOM 772 C LEU A 48 68.570 82.570 32.700 1.00 0.00 C ATOM 773 O LEU A 48 69.270 83.430 33.200 1.00 0.00 O ATOM 774 CB LEU A 48 67.430 82.920 30.470 1.00 0.00 C ATOM 775 CG LEU A 48 67.520 82.870 28.940 1.00 0.00 C ATOM 776 CD1 LEU A 48 66.290 83.510 28.300 1.00 0.00 C ATOM 777 CD2 LEU A 48 68.770 83.580 28.460 1.00 0.00 C ATOM 0 H LEU A 48 67.752 80.444 30.532 1.00 0.00 H new ATOM 0 HA LEU A 48 69.533 82.645 30.775 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.504 82.438 30.783 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.369 83.962 30.784 1.00 0.00 H new ATOM 0 HG LEU A 48 67.565 81.823 28.642 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.378 83.462 27.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.395 82.974 28.616 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.218 84.552 28.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.819 83.535 27.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.742 84.622 28.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.649 83.094 28.883 1.00 0.00 H new ATOM 789 N LYS A 49 67.760 81.800 33.430 1.00 0.00 N ATOM 790 CA LYS A 49 67.650 81.980 34.880 1.00 0.00 C ATOM 791 C LYS A 49 68.950 81.630 35.590 1.00 0.00 C ATOM 792 O LYS A 49 69.280 82.280 36.580 1.00 0.00 O ATOM 793 CB LYS A 49 66.500 81.150 35.420 1.00 0.00 C ATOM 794 CG LYS A 49 65.150 81.650 34.960 1.00 0.00 C ATOM 795 CD LYS A 49 64.030 80.750 35.500 1.00 0.00 C ATOM 796 CE LYS A 49 62.670 81.270 35.060 1.00 0.00 C ATOM 797 NZ LYS A 49 61.610 80.400 35.630 1.00 0.00 N ATOM 0 H LYS A 49 67.177 81.055 33.048 1.00 0.00 H new ATOM 0 HA LYS A 49 67.449 83.033 35.076 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.626 80.114 35.104 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.533 81.157 36.509 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.999 82.674 35.303 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.115 81.670 33.871 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.170 79.730 35.141 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.077 80.714 36.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.534 82.298 35.396 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.605 81.279 33.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.677 80.750 35.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.739 79.426 35.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.671 80.414 36.668 1.00 0.00 H new ATOM 811 N ALA A 50 69.660 80.630 35.090 1.00 0.00 N ATOM 812 CA ALA A 50 70.940 80.220 35.660 1.00 0.00 C ATOM 813 C ALA A 50 72.000 81.310 35.700 1.00 0.00 C ATOM 814 O ALA A 50 72.680 81.470 36.710 1.00 0.00 O ATOM 815 CB ALA A 50 71.460 79.060 34.830 1.00 0.00 C ATOM 0 H ALA A 50 69.369 80.080 34.281 1.00 0.00 H new ATOM 0 HA ALA A 50 70.754 79.953 36.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.418 78.728 35.229 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.746 78.237 34.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.590 79.381 33.797 1.00 0.00 H new ATOM 821 N VAL A 51 72.080 82.080 34.610 1.00 0.00 N ATOM 822 CA VAL A 51 73.000 83.210 34.500 1.00 0.00 C ATOM 823 C VAL A 51 72.710 84.190 35.640 1.00 0.00 C ATOM 824 O VAL A 51 73.630 84.670 36.290 1.00 0.00 O ATOM 825 CB VAL A 51 72.870 83.920 33.140 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.860 85.080 33.050 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.160 82.970 31.970 1.00 0.00 C ATOM 0 H VAL A 51 71.506 81.935 33.779 1.00 0.00 H new ATOM 0 HA VAL A 51 74.022 82.839 34.572 1.00 0.00 H new ATOM 0 HB VAL A 51 71.843 84.278 33.071 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.757 85.572 32.083 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.655 85.796 33.846 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.876 84.700 33.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.057 83.510 31.029 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.175 82.584 32.058 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.453 82.140 31.991 1.00 0.00 H new ATOM 837 N ASP A 52 71.430 84.460 35.890 1.00 0.00 N ATOM 838 CA ASP A 52 71.030 85.350 36.980 1.00 0.00 C ATOM 839 C ASP A 52 71.460 84.810 38.340 1.00 0.00 C ATOM 840 O ASP A 52 72.050 85.520 39.120 1.00 0.00 O ATOM 841 CB ASP A 52 69.520 85.630 36.940 1.00 0.00 C ATOM 842 CG ASP A 52 69.200 86.540 35.780 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.110 87.100 35.110 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.010 86.700 35.440 1.00 0.00 O ATOM 0 H ASP A 52 70.652 84.076 35.353 1.00 0.00 H new ATOM 0 HA ASP A 52 71.549 86.297 36.834 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.970 84.694 36.843 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.201 86.091 37.875 1.00 0.00 H new ATOM 849 N PHE A 53 71.240 83.530 38.580 1.00 0.00 N ATOM 850 CA PHE A 53 71.600 82.880 39.850 1.00 0.00 C ATOM 851 C PHE A 53 73.090 82.960 40.170 1.00 0.00 C ATOM 852 O PHE A 53 73.440 83.130 41.340 1.00 0.00 O ATOM 853 CB PHE A 53 71.030 81.460 39.770 1.00 0.00 C ATOM 854 CG PHE A 53 69.600 81.310 39.670 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.870 82.430 39.930 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.030 80.100 39.250 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.530 82.350 39.710 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.640 80.030 39.090 1.00 0.00 C ATOM 859 CZ PHE A 53 66.890 81.200 39.280 1.00 0.00 C ATOM 0 H PHE A 53 70.806 82.901 37.905 1.00 0.00 H new ATOM 0 HA PHE A 53 71.166 83.402 40.702 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.479 80.968 38.907 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.362 80.917 40.655 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.332 83.336 40.293 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.651 79.238 39.054 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.932 83.233 39.880 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.159 79.100 38.827 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.826 81.204 39.093 1.00 0.00 H new ATOM 869 N PHE A 54 73.910 82.800 39.120 1.00 0.00 N ATOM 870 CA PHE A 54 75.320 82.450 39.350 1.00 0.00 C ATOM 871 C PHE A 54 76.010 83.660 39.840 1.00 0.00 C ATOM 872 O PHE A 54 76.850 83.610 40.710 1.00 0.00 O ATOM 873 CB PHE A 54 75.970 81.970 38.040 1.00 0.00 C ATOM 874 CG PHE A 54 75.570 80.590 37.600 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.390 79.600 38.510 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.410 80.230 36.280 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.690 78.470 38.120 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.970 78.990 35.840 1.00 0.00 C ATOM 879 CZ PHE A 54 74.560 78.060 36.790 1.00 0.00 C ATOM 0 H PHE A 54 73.637 82.902 38.142 1.00 0.00 H new ATOM 0 HA PHE A 54 75.395 81.644 40.080 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.718 82.675 37.248 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.053 81.997 38.158 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.782 79.691 39.512 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.645 80.970 35.530 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.218 77.873 38.886 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.946 78.753 34.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.169 77.090 36.519 1.00 0.00 H new ATOM 889 N LYS A 55 75.540 84.780 39.270 1.00 0.00 N ATOM 890 CA LYS A 55 75.810 86.130 39.620 1.00 0.00 C ATOM 891 C LYS A 55 75.240 86.480 40.960 1.00 0.00 C ATOM 892 O LYS A 55 75.980 87.100 41.710 1.00 0.00 O ATOM 893 CB LYS A 55 75.230 87.020 38.550 1.00 0.00 C ATOM 894 CG LYS A 55 75.950 86.780 37.230 1.00 0.00 C ATOM 895 CD LYS A 55 75.300 87.630 36.150 1.00 0.00 C ATOM 896 CE LYS A 55 76.020 87.430 34.850 1.00 0.00 C ATOM 897 NZ LYS A 55 75.450 88.330 33.830 1.00 0.00 N ATOM 0 H LYS A 55 74.901 84.726 38.477 1.00 0.00 H new ATOM 0 HA LYS A 55 76.888 86.273 39.689 1.00 0.00 H new ATOM 0 HB2 LYS A 55 74.165 86.819 38.435 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.327 88.066 38.842 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.006 87.035 37.325 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.900 85.725 36.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.250 87.357 36.041 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.328 88.682 36.435 1.00 0.00 H new ATOM 0 HE2 LYS A 55 77.084 87.633 34.976 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.929 86.393 34.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.949 88.192 32.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.440 88.116 33.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.559 89.317 34.138 1.00 0.00 H new ATOM 911 N GLU A 56 73.990 86.160 41.330 1.00 0.00 N ATOM 912 CA GLU A 56 73.460 86.510 42.650 1.00 0.00 C ATOM 913 C GLU A 56 74.370 86.120 43.760 1.00 0.00 C ATOM 914 O GLU A 56 74.500 86.950 44.660 1.00 0.00 O ATOM 915 CB GLU A 56 72.060 85.910 42.810 1.00 0.00 C ATOM 916 CG GLU A 56 71.080 86.670 41.940 1.00 0.00 C ATOM 917 CD GLU A 56 69.680 86.050 41.980 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.520 84.970 42.600 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.750 86.690 41.440 1.00 0.00 O ATOM 0 H GLU A 56 73.331 85.660 40.732 1.00 0.00 H new ATOM 0 HA GLU A 56 73.388 87.596 42.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.070 84.857 42.529 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.749 85.959 43.854 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.027 87.707 42.273 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.442 86.683 40.912 1.00 0.00 H new ATOM 926 N LYS A 57 75.020 84.940 43.650 1.00 0.00 N ATOM 927 CA LYS A 57 76.020 84.390 44.590 1.00 0.00 C ATOM 928 C LYS A 57 77.470 84.590 44.170 1.00 0.00 C ATOM 929 O LYS A 57 77.810 84.640 43.000 1.00 0.00 O ATOM 930 CB LYS A 57 75.730 82.900 44.820 1.00 0.00 C ATOM 931 CG LYS A 57 74.420 82.660 45.560 1.00 0.00 C ATOM 932 CD LYS A 57 74.060 81.220 45.750 1.00 0.00 C ATOM 933 CE LYS A 57 72.760 81.100 46.510 1.00 0.00 C ATOM 934 NZ LYS A 57 72.430 79.660 46.690 1.00 0.00 N ATOM 0 H LYS A 57 74.852 84.314 42.862 1.00 0.00 H new ATOM 0 HA LYS A 57 75.914 84.957 45.515 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.697 82.388 43.858 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.549 82.459 45.388 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.479 83.137 46.538 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.615 83.152 45.014 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.969 80.730 44.781 1.00 0.00 H new ATOM 0 HD3 LYS A 57 74.855 80.708 46.292 1.00 0.00 H new ATOM 0 HE2 LYS A 57 72.845 81.590 47.480 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.960 81.604 45.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 71.406 79.521 46.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.939 79.096 45.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 72.714 79.355 47.643 1.00 0.00 H new ATOM 948 N GLY A 58 78.380 84.650 45.150 1.00 0.00 N ATOM 949 CA GLY A 58 79.820 84.780 44.920 1.00 0.00 C ATOM 950 C GLY A 58 80.500 83.470 44.530 1.00 0.00 C ATOM 951 O GLY A 58 81.650 83.460 44.100 1.00 0.00 O ATOM 0 H GLY A 58 78.131 84.609 46.138 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.988 85.515 44.133 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.290 85.168 45.824 1.00 0.00 H new ATOM 955 N HIS A 59 79.780 82.350 44.620 1.00 0.00 N ATOM 956 CA HIS A 59 80.340 81.010 44.770 1.00 0.00 C ATOM 957 C HIS A 59 81.280 80.600 43.670 1.00 0.00 C ATOM 958 O HIS A 59 82.270 79.930 43.920 1.00 0.00 O ATOM 959 CB HIS A 59 79.170 80.030 44.850 1.00 0.00 C ATOM 960 CG HIS A 59 78.340 80.070 46.110 1.00 0.00 C ATOM 961 ND1 HIS A 59 77.120 79.440 46.300 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.640 80.720 47.260 1.00 0.00 C ATOM 963 CE1 HIS A 59 76.750 79.700 47.560 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.630 80.500 48.140 1.00 0.00 N ATOM 0 H HIS A 59 78.760 82.353 44.589 1.00 0.00 H new ATOM 0 HA HIS A 59 80.947 81.005 45.675 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.511 80.216 44.002 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.563 79.020 44.733 1.00 0.00 H new ATOM 0 HD2 HIS A 59 79.526 81.309 47.444 1.00 0.00 H new ATOM 0 HE1 HIS A 59 75.861 79.312 48.035 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.562 80.884 49.083 1.00 0.00 H new ATOM 972 N THR A 60 80.970 81.070 42.460 1.00 0.00 N ATOM 973 CA THR A 60 81.660 80.770 41.220 1.00 0.00 C ATOM 974 C THR A 60 82.630 81.860 40.770 1.00 0.00 C ATOM 975 O THR A 60 82.350 83.060 40.820 1.00 0.00 O ATOM 976 CB THR A 60 80.610 80.490 40.150 1.00 0.00 C ATOM 977 OG1 THR A 60 81.220 80.330 38.910 1.00 0.00 O ATOM 978 CG2 THR A 60 79.600 81.620 40.000 1.00 0.00 C ATOM 0 H THR A 60 80.185 81.706 42.320 1.00 0.00 H new ATOM 0 HA THR A 60 82.288 79.895 41.388 1.00 0.00 H new ATOM 0 HB THR A 60 80.093 79.586 40.471 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.091 79.896 39.027 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.879 81.363 39.224 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.078 81.770 40.945 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.119 82.538 39.723 1.00 0.00 H new ATOM 986 N ALA A 61 83.790 81.410 40.260 1.00 0.00 N ATOM 987 CA ALA A 61 84.780 82.280 39.660 1.00 0.00 C ATOM 988 C ALA A 61 84.210 83.100 38.500 1.00 0.00 C ATOM 989 O ALA A 61 84.470 84.300 38.410 1.00 0.00 O ATOM 990 CB ALA A 61 85.990 81.460 39.170 1.00 0.00 C ATOM 0 H ALA A 61 84.055 80.425 40.259 1.00 0.00 H new ATOM 0 HA ALA A 61 85.097 82.979 40.434 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.725 82.128 38.722 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.441 80.938 40.014 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.660 80.733 38.428 1.00 0.00 H new ATOM 996 N TYR A 62 83.490 82.420 37.610 1.00 0.00 N ATOM 997 CA TYR A 62 82.960 83.040 36.400 1.00 0.00 C ATOM 998 C TYR A 62 81.870 82.180 35.770 1.00 0.00 C ATOM 999 O TYR A 62 81.810 80.970 35.980 1.00 0.00 O ATOM 1000 CB TYR A 62 84.110 83.260 35.410 1.00 0.00 C ATOM 1001 CG TYR A 62 83.700 84.000 34.160 1.00 0.00 C ATOM 1002 CD1 TYR A 62 83.030 85.230 34.280 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.940 83.460 32.890 1.00 0.00 C ATOM 1004 CE1 TYR A 62 82.590 85.910 33.180 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.550 84.170 31.750 1.00 0.00 C ATOM 1006 CZ TYR A 62 82.860 85.380 31.930 1.00 0.00 C ATOM 1007 OH TYR A 62 82.640 86.290 30.970 1.00 0.00 O ATOM 0 H TYR A 62 83.259 81.431 37.707 1.00 0.00 H new ATOM 0 HA TYR A 62 82.509 83.998 36.660 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.904 83.817 35.907 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.526 82.293 35.129 1.00 0.00 H new ATOM 0 HD1 TYR A 62 82.860 85.646 35.262 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.424 82.500 32.792 1.00 0.00 H new ATOM 0 HE1 TYR A 62 82.046 86.837 33.283 1.00 0.00 H new ATOM 0 HE2 TYR A 62 83.773 83.799 30.761 1.00 0.00 H new ATOM 0 HH TYR A 62 82.838 85.896 30.095 1.00 0.00 H new ATOM 1017 N LEU A 63 81.090 82.770 34.860 1.00 0.00 N ATOM 1018 CA LEU A 63 80.240 82.050 33.900 1.00 0.00 C ATOM 1019 C LEU A 63 80.400 82.510 32.450 1.00 0.00 C ATOM 1020 O LEU A 63 80.360 83.710 32.190 1.00 0.00 O ATOM 1021 CB LEU A 63 78.810 82.220 34.390 1.00 0.00 C ATOM 1022 CG LEU A 63 77.790 81.680 33.390 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.910 80.170 33.300 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.390 82.060 33.810 1.00 0.00 C ATOM 0 H LEU A 63 81.029 83.784 34.766 1.00 0.00 H new ATOM 0 HA LEU A 63 80.539 81.002 33.869 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.690 81.704 35.343 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.613 83.276 34.572 1.00 0.00 H new ATOM 0 HG LEU A 63 77.992 82.117 32.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.180 79.789 32.585 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.914 79.904 32.970 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.722 79.731 34.280 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.674 81.668 33.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.179 81.641 34.794 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.305 83.146 33.852 1.00 0.00 H new ATOM 1036 N ASP A 64 80.390 81.580 31.480 1.00 0.00 N ATOM 1037 CA ASP A 64 80.290 81.940 30.080 1.00 0.00 C ATOM 1038 C ASP A 64 79.440 80.910 29.350 1.00 0.00 C ATOM 1039 O ASP A 64 79.030 79.920 29.940 1.00 0.00 O ATOM 1040 CB ASP A 64 81.680 82.040 29.430 1.00 0.00 C ATOM 1041 CG ASP A 64 81.610 83.030 28.270 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.480 83.440 27.880 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.660 83.400 27.680 1.00 0.00 O ATOM 0 H ASP A 64 80.451 80.577 31.653 1.00 0.00 H new ATOM 0 HA ASP A 64 79.818 82.920 30.007 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.417 82.369 30.163 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.001 81.062 29.072 1.00 0.00 H new ATOM 1048 N GLU A 65 79.110 81.100 28.080 1.00 0.00 N ATOM 1049 CA GLU A 65 78.570 80.000 27.290 1.00 0.00 C ATOM 1050 C GLU A 65 79.630 78.950 26.960 1.00 0.00 C ATOM 1051 O GLU A 65 80.820 79.200 27.030 1.00 0.00 O ATOM 1052 CB GLU A 65 77.910 80.510 26.020 1.00 0.00 C ATOM 1053 CG GLU A 65 76.730 81.420 26.290 1.00 0.00 C ATOM 1054 CD GLU A 65 76.110 81.910 24.980 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.500 81.550 23.850 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.060 82.580 25.050 1.00 0.00 O ATOM 0 H GLU A 65 79.203 81.985 27.582 1.00 0.00 H new ATOM 0 HA GLU A 65 77.812 79.515 27.904 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.648 81.048 25.425 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.577 79.660 25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.981 80.887 26.875 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.052 82.273 26.886 1.00 0.00 H new ATOM 1063 N VAL A 66 79.190 77.780 26.480 1.00 0.00 N ATOM 1064 CA VAL A 66 79.990 77.070 25.460 1.00 0.00 C ATOM 1065 C VAL A 66 79.610 77.620 24.090 1.00 0.00 C ATOM 1066 O VAL A 66 78.440 77.630 23.760 1.00 0.00 O ATOM 1067 CB VAL A 66 79.750 75.550 25.500 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.670 74.840 24.490 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.070 74.960 26.870 1.00 0.00 C ATOM 0 H VAL A 66 78.326 77.317 26.761 1.00 0.00 H new ATOM 0 HA VAL A 66 81.048 77.234 25.664 1.00 0.00 H new ATOM 0 HB VAL A 66 78.697 75.397 25.264 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.491 73.765 24.528 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.460 75.208 23.486 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.711 75.043 24.741 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.887 73.886 26.855 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.116 75.147 27.111 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.435 75.426 27.624 1.00 0.00 H new ATOM 1079 N ARG A 67 80.530 77.920 23.160 1.00 0.00 N ATOM 1080 CA ARG A 67 80.190 77.800 21.720 1.00 0.00 C ATOM 1081 C ARG A 67 80.420 76.430 21.050 1.00 0.00 C ATOM 1082 O ARG A 67 81.140 76.340 20.080 1.00 0.00 O ATOM 1083 CB ARG A 67 80.800 78.970 20.990 1.00 0.00 C ATOM 1084 CG ARG A 67 80.230 80.300 21.330 1.00 0.00 C ATOM 1085 CD ARG A 67 80.580 81.320 20.250 1.00 0.00 C ATOM 1086 NE ARG A 67 79.970 82.600 20.590 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.680 82.840 20.460 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.880 81.940 19.940 1.00 0.00 N ATOM 1089 NH2 ARG A 67 78.210 84.030 20.740 1.00 0.00 N ATOM 0 H ARG A 67 81.479 78.236 23.359 1.00 0.00 H new ATOM 0 HA ARG A 67 79.103 77.844 21.648 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.870 78.988 21.197 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.686 78.808 19.918 1.00 0.00 H new ATOM 0 HG2 ARG A 67 79.147 80.224 21.430 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.617 80.633 22.293 1.00 0.00 H new ATOM 0 HD2 ARG A 67 81.662 81.428 20.170 1.00 0.00 H new ATOM 0 HD3 ARG A 67 80.221 80.978 19.279 1.00 0.00 H new ATOM 0 HE ARG A 67 80.569 83.345 20.945 1.00 0.00 H new ATOM 0 HH11 ARG A 67 78.254 81.043 19.631 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.884 82.137 19.845 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.841 84.766 21.057 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.213 84.221 20.641 1.00 0.00 H new ATOM 1103 N VAL A 68 79.680 75.400 21.470 1.00 0.00 N ATOM 1104 CA VAL A 68 78.690 74.580 20.700 1.00 0.00 C ATOM 1105 C VAL A 68 77.280 75.120 20.910 1.00 0.00 C ATOM 1106 O VAL A 68 76.280 74.440 20.680 1.00 0.00 O ATOM 1107 CB VAL A 68 78.710 73.090 21.110 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.100 72.530 20.860 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.350 72.920 22.590 1.00 0.00 C ATOM 0 H VAL A 68 79.750 75.077 22.435 1.00 0.00 H new ATOM 0 HA VAL A 68 78.978 74.652 19.651 1.00 0.00 H new ATOM 0 HB VAL A 68 77.971 72.553 20.516 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.126 71.479 21.146 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.345 72.624 19.802 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.828 73.085 21.452 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.372 71.862 22.851 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.071 73.460 23.204 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.351 73.317 22.769 1.00 0.00 H new ATOM 1119 N SER A 69 77.150 76.360 21.390 1.00 0.00 N ATOM 1120 CA SER A 69 75.860 76.990 21.540 1.00 0.00 C ATOM 1121 C SER A 69 75.170 77.160 20.240 1.00 0.00 C ATOM 1122 O SER A 69 73.970 76.950 20.160 1.00 0.00 O ATOM 1123 CB SER A 69 76.010 78.360 22.180 1.00 0.00 C ATOM 1124 OG SER A 69 76.830 79.220 21.390 1.00 0.00 O ATOM 0 H SER A 69 77.936 76.941 21.680 1.00 0.00 H new ATOM 0 HA SER A 69 75.264 76.334 22.174 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.026 78.812 22.310 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.445 78.253 23.174 1.00 0.00 H new ATOM 0 HG SER A 69 76.905 80.093 21.828 1.00 0.00 H new ATOM 1130 N THR A 70 75.880 77.530 19.170 1.00 0.00 N ATOM 1131 CA THR A 70 75.220 77.770 17.920 1.00 0.00 C ATOM 1132 C THR A 70 74.600 76.490 17.460 1.00 0.00 C ATOM 1133 O THR A 70 73.500 76.510 16.900 1.00 0.00 O ATOM 1134 CB THR A 70 76.170 78.270 16.840 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.080 77.240 16.500 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.960 79.490 17.320 1.00 0.00 C ATOM 0 H THR A 70 76.891 77.663 19.160 1.00 0.00 H new ATOM 0 HA THR A 70 74.472 78.547 18.082 1.00 0.00 H new ATOM 0 HB THR A 70 75.577 78.557 15.972 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.691 77.560 15.804 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.630 79.824 16.528 1.00 0.00 H new ATOM 0 HG22 THR A 70 76.269 80.294 17.575 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.545 79.222 18.200 1.00 0.00 H new ATOM 1144 N ASP A 71 75.250 75.350 17.690 1.00 0.00 N ATOM 1145 CA ASP A 71 74.710 74.040 17.370 1.00 0.00 C ATOM 1146 C ASP A 71 73.650 73.570 18.330 1.00 0.00 C ATOM 1147 O ASP A 71 72.640 73.070 17.900 1.00 0.00 O ATOM 1148 CB ASP A 71 75.890 73.070 17.380 1.00 0.00 C ATOM 1149 CG ASP A 71 76.740 73.320 16.150 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.330 74.110 15.260 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.910 72.870 16.120 1.00 0.00 O ATOM 0 H ASP A 71 76.179 75.316 18.110 1.00 0.00 H new ATOM 0 HA ASP A 71 74.216 74.091 16.400 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.484 73.208 18.283 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.532 72.041 17.388 1.00 0.00 H new ATOM 1156 N GLU A 72 73.790 73.760 19.630 1.00 0.00 N ATOM 1157 CA GLU A 72 72.960 73.050 20.620 1.00 0.00 C ATOM 1158 C GLU A 72 72.230 73.900 21.610 1.00 0.00 C ATOM 1159 O GLU A 72 71.040 73.730 21.860 1.00 0.00 O ATOM 1160 CB GLU A 72 73.770 71.990 21.300 1.00 0.00 C ATOM 1161 CG GLU A 72 72.920 71.170 22.300 1.00 0.00 C ATOM 1162 CD GLU A 72 73.710 70.110 23.010 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.910 70.050 22.710 1.00 0.00 O ATOM 1164 OE2 GLU A 72 73.180 69.390 23.880 1.00 0.00 O ATOM 0 H GLU A 72 74.471 74.401 20.038 1.00 0.00 H new ATOM 0 HA GLU A 72 72.154 72.602 20.038 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.196 71.322 20.551 1.00 0.00 H new ATOM 0 HB3 GLU A 72 74.605 72.452 21.826 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.484 71.845 23.037 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.092 70.702 21.767 1.00 0.00 H new ATOM 1171 N LYS A 73 73.010 74.800 22.200 1.00 0.00 N ATOM 1172 CA LYS A 73 72.610 75.870 23.090 1.00 0.00 C ATOM 1173 C LYS A 73 72.020 75.390 24.430 1.00 0.00 C ATOM 1174 O LYS A 73 71.450 76.160 25.170 1.00 0.00 O ATOM 1175 CB LYS A 73 71.680 76.800 22.300 1.00 0.00 C ATOM 1176 CG LYS A 73 71.280 78.080 23.020 1.00 0.00 C ATOM 1177 CD LYS A 73 72.420 79.050 23.100 1.00 0.00 C ATOM 1178 CE LYS A 73 72.010 80.230 23.950 1.00 0.00 C ATOM 1179 NZ LYS A 73 73.130 81.160 24.010 1.00 0.00 N ATOM 0 H LYS A 73 74.019 74.794 22.052 1.00 0.00 H new ATOM 0 HA LYS A 73 73.494 76.421 23.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.169 77.067 21.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.775 76.249 22.042 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.443 78.544 22.499 1.00 0.00 H new ATOM 0 HG3 LYS A 73 70.935 77.839 24.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 73.297 78.565 23.529 1.00 0.00 H new ATOM 0 HD3 LYS A 73 72.698 79.386 22.101 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.133 80.718 23.525 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.736 79.900 24.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.392 81.324 25.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 73.942 80.759 23.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 72.856 82.062 23.571 1.00 0.00 H new ATOM 1193 N ASP A 74 72.210 74.140 24.790 1.00 0.00 N ATOM 1194 CA ASP A 74 72.040 73.630 26.150 1.00 0.00 C ATOM 1195 C ASP A 74 73.090 74.060 27.180 1.00 0.00 C ATOM 1196 O ASP A 74 72.750 74.210 28.350 1.00 0.00 O ATOM 1197 CB ASP A 74 72.090 72.100 26.030 1.00 0.00 C ATOM 1198 CG ASP A 74 70.740 71.570 25.660 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.820 71.610 26.510 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.600 71.080 24.520 1.00 0.00 O ATOM 0 H ASP A 74 72.497 73.419 24.128 1.00 0.00 H new ATOM 0 HA ASP A 74 71.104 74.042 26.527 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.822 71.810 25.277 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.415 71.664 26.975 1.00 0.00 H new ATOM 1205 N PHE A 75 74.380 74.190 26.800 1.00 0.00 N ATOM 1206 CA PHE A 75 75.440 74.210 27.810 1.00 0.00 C ATOM 1207 C PHE A 75 76.040 75.590 28.020 1.00 0.00 C ATOM 1208 O PHE A 75 76.730 76.150 27.160 1.00 0.00 O ATOM 1209 CB PHE A 75 76.530 73.210 27.480 1.00 0.00 C ATOM 1210 CG PHE A 75 76.120 71.810 27.810 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.290 71.320 29.110 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.510 71.020 26.850 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.910 70.000 29.410 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.070 69.750 27.210 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.330 69.190 28.460 1.00 0.00 C ATOM 0 H PHE A 75 74.697 74.279 25.835 1.00 0.00 H new ATOM 0 HA PHE A 75 74.964 73.924 28.748 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.775 73.276 26.420 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.435 73.463 28.033 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.711 71.952 29.878 1.00 0.00 H new ATOM 0 HD2 PHE A 75 75.378 71.383 25.841 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.076 69.614 30.405 1.00 0.00 H new ATOM 0 HE2 PHE A 75 74.504 69.175 26.492 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.086 68.160 28.675 1.00 0.00 H new ATOM 1225 N LEU A 76 75.820 76.080 29.220 1.00 0.00 N ATOM 1226 CA LEU A 76 76.610 77.130 29.850 1.00 0.00 C ATOM 1227 C LEU A 76 77.820 76.510 30.510 1.00 0.00 C ATOM 1228 O LEU A 76 77.760 75.350 30.930 1.00 0.00 O ATOM 1229 CB LEU A 76 75.790 77.850 30.900 1.00 0.00 C ATOM 1230 CG LEU A 76 74.530 78.510 30.390 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.690 79.060 31.530 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.920 79.660 29.480 1.00 0.00 C ATOM 0 H LEU A 76 75.058 75.749 29.812 1.00 0.00 H new ATOM 0 HA LEU A 76 76.919 77.846 29.088 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.518 77.137 31.678 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.415 78.610 31.369 1.00 0.00 H new ATOM 0 HG LEU A 76 73.942 77.763 29.856 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.792 79.528 31.127 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.407 78.247 32.199 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.268 79.801 32.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.021 80.147 29.103 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.516 80.381 30.040 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.504 79.279 28.642 1.00 0.00 H new ATOM 1244 N TYR A 77 78.900 77.260 30.600 1.00 0.00 N ATOM 1245 CA TYR A 77 80.090 76.700 31.200 1.00 0.00 C ATOM 1246 C TYR A 77 80.710 77.570 32.250 1.00 0.00 C ATOM 1247 O TYR A 77 80.930 78.760 32.050 1.00 0.00 O ATOM 1248 CB TYR A 77 81.070 76.410 30.100 1.00 0.00 C ATOM 1249 CG TYR A 77 82.380 75.880 30.640 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.480 74.540 31.050 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.470 76.740 30.780 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.700 74.040 31.550 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.690 76.240 31.260 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.800 74.900 31.660 1.00 0.00 C ATOM 1255 OH TYR A 77 85.990 74.420 32.120 1.00 0.00 O ATOM 0 H TYR A 77 78.978 78.225 30.278 1.00 0.00 H new ATOM 0 HA TYR A 77 79.804 75.789 31.725 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.639 75.682 29.412 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.254 77.319 29.528 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.620 73.891 30.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.375 77.784 30.520 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.785 73.005 31.845 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.550 76.891 31.322 1.00 0.00 H new ATOM 0 HH TYR A 77 86.725 74.926 31.716 1.00 0.00 H new ATOM 1265 N GLU A 78 81.010 76.960 33.370 1.00 0.00 N ATOM 1266 CA GLU A 78 81.040 77.740 34.600 1.00 0.00 C ATOM 1267 C GLU A 78 82.240 77.310 35.350 1.00 0.00 C ATOM 1268 O GLU A 78 82.660 76.150 35.260 1.00 0.00 O ATOM 1269 CB GLU A 78 79.770 77.540 35.420 1.00 0.00 C ATOM 1270 CG GLU A 78 79.750 78.460 36.640 1.00 0.00 C ATOM 1271 CD GLU A 78 78.480 78.270 37.460 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.540 77.690 36.880 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.480 78.780 38.600 1.00 0.00 O ATOM 0 H GLU A 78 81.230 75.969 33.465 1.00 0.00 H new ATOM 0 HA GLU A 78 81.087 78.806 34.377 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.897 77.738 34.798 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.702 76.501 35.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.621 78.258 37.264 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.823 79.498 36.316 1.00 0.00 H new ATOM 1280 N LEU A 79 82.860 78.230 36.070 1.00 0.00 N ATOM 1281 CA LEU A 79 84.080 77.850 36.730 1.00 0.00 C ATOM 1282 C LEU A 79 84.000 78.270 38.130 1.00 0.00 C ATOM 1283 O LEU A 79 83.650 79.410 38.400 1.00 0.00 O ATOM 1284 CB LEU A 79 85.250 78.510 36.040 1.00 0.00 C ATOM 1285 CG LEU A 79 85.440 78.040 34.600 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.430 78.940 33.910 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.940 76.600 34.570 1.00 0.00 C ATOM 0 H LEU A 79 82.554 79.194 36.204 1.00 0.00 H new ATOM 0 HA LEU A 79 84.220 76.770 36.686 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.106 79.590 36.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.159 78.306 36.605 1.00 0.00 H new ATOM 0 HG LEU A 79 84.482 78.083 34.082 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.568 78.608 32.881 1.00 0.00 H new ATOM 0 HD12 LEU A 79 86.055 79.963 33.913 1.00 0.00 H new ATOM 0 HD13 LEU A 79 87.384 78.902 34.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.070 76.281 33.536 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.895 76.535 35.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 85.213 75.952 35.061 1.00 0.00 H new ATOM 1299 N HIS A 80 84.390 77.380 39.050 1.00 0.00 N ATOM 1300 CA HIS A 80 84.300 77.690 40.450 1.00 0.00 C ATOM 1301 C HIS A 80 85.710 77.650 40.970 1.00 0.00 C ATOM 1302 O HIS A 80 86.340 76.600 41.080 1.00 0.00 O ATOM 1303 CB HIS A 80 83.430 76.710 41.230 1.00 0.00 C ATOM 1304 CG HIS A 80 82.050 76.490 40.700 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.200 75.550 41.240 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.400 77.120 39.680 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.070 75.590 40.510 1.00 0.00 C ATOM 1308 NE2 HIS A 80 80.170 76.530 39.560 1.00 0.00 N ATOM 0 H HIS A 80 84.764 76.455 38.837 1.00 0.00 H new ATOM 0 HA HIS A 80 83.827 78.664 40.579 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.942 75.748 41.264 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.350 77.065 42.258 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.390 74.943 42.037 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.783 77.932 39.080 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.209 74.957 40.667 1.00 0.00 H new ATOM 1316 N ILE A 81 86.220 78.850 41.180 1.00 0.00 N ATOM 1317 CA ILE A 81 87.600 79.140 41.540 1.00 0.00 C ATOM 1318 C ILE A 81 88.460 79.020 40.270 1.00 0.00 C ATOM 1319 O ILE A 81 89.080 80.020 39.990 1.00 0.00 O ATOM 1320 CB ILE A 81 88.140 78.260 42.700 1.00 0.00 C ATOM 1321 CG1 ILE A 81 87.310 78.400 43.990 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.580 78.610 43.060 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.710 77.390 45.060 1.00 0.00 C ATOM 0 H ILE A 81 85.654 79.695 41.100 1.00 0.00 H new ATOM 0 HA ILE A 81 87.650 80.156 41.932 1.00 0.00 H new ATOM 0 HB ILE A 81 88.074 77.239 42.324 1.00 0.00 H new ATOM 0 HG12 ILE A 81 87.429 79.409 44.386 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.254 78.273 43.753 1.00 0.00 H new ATOM 0 HG21 ILE A 81 89.917 77.970 43.876 1.00 0.00 H new ATOM 0 HG22 ILE A 81 90.220 78.457 42.191 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.634 79.653 43.371 1.00 0.00 H new ATOM 0 HD11 ILE A 81 87.092 77.535 45.946 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.565 76.379 44.678 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.759 77.533 45.321 1.00 0.00 H new ATOM 1335 N ILE A 82 88.370 77.940 39.450 1.00 0.00 N ATOM 1336 CA ILE A 82 89.330 77.550 38.380 1.00 0.00 C ATOM 1337 C ILE A 82 90.800 77.600 38.870 1.00 0.00 C ATOM 1338 O ILE A 82 91.630 77.270 38.010 1.00 0.00 O ATOM 1339 CB ILE A 82 89.110 78.380 37.090 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.900 77.850 35.870 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.500 79.830 37.320 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.490 78.540 34.590 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.110 77.980 40.000 1.00 0.00 O ATOM 0 H ILE A 82 87.590 77.286 39.519 1.00 0.00 H new ATOM 0 HA ILE A 82 89.127 76.509 38.127 1.00 0.00 H new ATOM 0 HB ILE A 82 88.048 78.291 36.862 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.967 77.998 36.036 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.739 76.777 35.771 1.00 0.00 H new ATOM 0 HG21 ILE A 82 89.340 80.400 36.405 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.889 80.249 38.120 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.552 79.884 37.601 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.069 78.138 33.758 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.429 78.370 34.409 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.676 79.610 34.678 1.00 0.00 H new TER 1355 ILE A 82