USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=20 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 44 HIS : no HD1:sc= -1.5 K(o=-1.7,f=-0.63) USER MOD Set 1.2: A 47 MET CE :methyl 169:sc= -0.17 (180deg=-0.436) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.0446 USER MOD Set 2.2: A 42 ASN : amide:sc= -0.505 K(o=-0.46,f=1.3) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.198) USER MOD Set 4.2: A 17 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 5.1: A 1 SER OG : rot 170:sc= -0.531 USER MOD Set 5.2: A 2 HIS : no HD1:sc= -0.535 K(o=-1.1,f=-0.53) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.0285 (180deg=-0.409) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.183 USER MOD Single : A 18 SER OG : rot 180:sc= -0.088 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0917 K(o=-0.092,f=-0.64) USER MOD Single : A 29 SER OG : rot -89:sc= 0.993 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -33:sc= 0.264 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -119:sc= -3.13! (180deg=-3.61!) USER MOD Single : A 59 HIS : no HD1:sc= -0.699 X(o=-0.7,f=-0.38) USER MOD Single : A 60 THR OG1 : rot 18:sc= 1.25 USER MOD Single : A 62 TYR OH : rot -177:sc= 0.196 USER MOD Single : A 69 SER OG : rot 180:sc= -0.174 USER MOD Single : A 70 THR OG1 : rot 88:sc= 0.407 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.56 X(o=-2.6,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 82.370 59.190 35.440 1.00 0.00 N ATOM 2 CA SER A 1 83.210 60.190 34.800 1.00 0.00 C ATOM 3 C SER A 1 83.020 61.540 35.410 1.00 0.00 C ATOM 4 O SER A 1 83.990 62.030 35.980 1.00 0.00 O ATOM 5 CB SER A 1 83.140 60.210 33.310 1.00 0.00 C ATOM 6 OG SER A 1 84.020 61.160 32.770 1.00 0.00 O ATOM 0 H1 SER A 1 82.528 58.265 34.991 1.00 0.00 H new ATOM 0 H2 SER A 1 82.610 59.130 36.450 1.00 0.00 H new ATOM 0 H3 SER A 1 81.371 59.459 35.337 1.00 0.00 H new ATOM 0 HA SER A 1 84.234 59.877 35.005 1.00 0.00 H new ATOM 0 HB2 SER A 1 83.384 59.222 32.919 1.00 0.00 H new ATOM 0 HB3 SER A 1 82.121 60.435 32.995 1.00 0.00 H new ATOM 0 HG SER A 1 84.073 61.042 31.799 1.00 0.00 H new ATOM 14 N HIS A 2 81.810 62.100 35.390 1.00 0.00 N ATOM 15 CA HIS A 2 81.700 63.510 35.790 1.00 0.00 C ATOM 16 C HIS A 2 80.780 63.770 36.960 1.00 0.00 C ATOM 17 O HIS A 2 79.700 63.190 36.940 1.00 0.00 O ATOM 18 CB HIS A 2 81.330 64.360 34.570 1.00 0.00 C ATOM 19 CG HIS A 2 82.380 64.320 33.490 1.00 0.00 C ATOM 20 ND1 HIS A 2 82.280 63.520 32.370 1.00 0.00 N ATOM 21 CD2 HIS A 2 83.550 65.030 33.430 1.00 0.00 C ATOM 22 CE1 HIS A 2 83.390 63.740 31.650 1.00 0.00 C ATOM 23 NE2 HIS A 2 84.180 64.650 32.260 1.00 0.00 N ATOM 0 H HIS A 2 80.941 61.639 35.120 1.00 0.00 H new ATOM 0 HA HIS A 2 82.681 63.804 36.162 1.00 0.00 H new ATOM 0 HB2 HIS A 2 80.382 64.009 34.162 1.00 0.00 H new ATOM 0 HB3 HIS A 2 81.178 65.392 34.885 1.00 0.00 H new ATOM 0 HD2 HIS A 2 83.909 65.746 34.154 1.00 0.00 H new ATOM 0 HE1 HIS A 2 83.620 63.256 30.712 1.00 0.00 H new ATOM 0 HE2 HIS A 2 85.078 64.994 31.919 1.00 0.00 H new ATOM 31 N MET A 3 81.250 64.640 37.870 1.00 0.00 N ATOM 32 CA MET A 3 80.580 65.420 38.970 1.00 0.00 C ATOM 33 C MET A 3 80.680 66.970 38.910 1.00 0.00 C ATOM 34 O MET A 3 80.420 67.650 39.900 1.00 0.00 O ATOM 35 CB MET A 3 81.140 64.970 40.330 1.00 0.00 C ATOM 36 CG MET A 3 80.600 63.590 40.660 1.00 0.00 C ATOM 37 SD MET A 3 78.810 63.530 40.830 1.00 0.00 S ATOM 38 CE MET A 3 78.660 64.470 42.370 1.00 0.00 C ATOM 0 H MET A 3 82.247 64.855 37.865 1.00 0.00 H new ATOM 0 HA MET A 3 79.523 65.194 38.831 1.00 0.00 H new ATOM 0 HB2 MET A 3 82.229 64.950 40.299 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.856 65.680 41.107 1.00 0.00 H new ATOM 0 HG2 MET A 3 80.904 62.895 39.878 1.00 0.00 H new ATOM 0 HG3 MET A 3 81.055 63.245 41.588 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.684 64.282 42.817 1.00 0.00 H new ATOM 0 HE2 MET A 3 79.442 64.160 43.063 1.00 0.00 H new ATOM 0 HE3 MET A 3 78.763 65.534 42.158 1.00 0.00 H new ATOM 48 N LYS A 4 81.050 67.560 37.780 1.00 0.00 N ATOM 49 CA LYS A 4 81.360 69.000 37.670 1.00 0.00 C ATOM 50 C LYS A 4 80.330 69.800 36.870 1.00 0.00 C ATOM 51 O LYS A 4 80.700 70.720 36.150 1.00 0.00 O ATOM 52 CB LYS A 4 82.760 69.180 37.090 1.00 0.00 C ATOM 53 CG LYS A 4 83.820 68.750 38.100 1.00 0.00 C ATOM 54 CD LYS A 4 85.220 68.930 37.510 1.00 0.00 C ATOM 55 CE LYS A 4 86.300 68.540 38.520 1.00 0.00 C ATOM 56 NZ LYS A 4 87.640 68.740 37.960 1.00 0.00 N ATOM 0 H LYS A 4 81.148 67.056 36.899 1.00 0.00 H new ATOM 0 HA LYS A 4 81.318 69.407 38.680 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.860 68.592 36.178 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.914 70.223 36.815 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.724 69.340 39.012 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.666 67.707 38.377 1.00 0.00 H new ATOM 0 HD2 LYS A 4 85.320 68.320 36.612 1.00 0.00 H new ATOM 0 HD3 LYS A 4 85.359 69.968 37.207 1.00 0.00 H new ATOM 0 HE2 LYS A 4 86.188 69.136 39.426 1.00 0.00 H new ATOM 0 HE3 LYS A 4 86.174 67.496 38.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 88.355 68.468 38.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.752 68.153 37.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.765 69.741 37.708 1.00 0.00 H new ATOM 70 N LEU A 5 79.100 69.320 36.760 1.00 0.00 N ATOM 71 CA LEU A 5 78.110 69.970 35.940 1.00 0.00 C ATOM 72 C LEU A 5 76.880 70.200 36.770 1.00 0.00 C ATOM 73 O LEU A 5 76.600 69.360 37.590 1.00 0.00 O ATOM 74 CB LEU A 5 77.740 69.130 34.730 1.00 0.00 C ATOM 75 CG LEU A 5 78.910 68.960 33.800 1.00 0.00 C ATOM 76 CD1 LEU A 5 79.880 67.860 34.180 1.00 0.00 C ATOM 77 CD2 LEU A 5 78.380 68.630 32.440 1.00 0.00 C ATOM 0 H LEU A 5 78.771 68.479 37.234 1.00 0.00 H new ATOM 0 HA LEU A 5 78.525 70.911 35.580 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.389 68.152 35.058 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.915 69.602 34.196 1.00 0.00 H new ATOM 0 HG LEU A 5 79.463 69.898 33.845 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.687 67.818 33.448 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.295 68.066 35.167 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.357 66.904 34.199 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.211 68.502 31.747 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.802 67.707 32.489 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.740 69.441 32.093 1.00 0.00 H new ATOM 89 N VAL A 6 76.090 71.200 36.420 1.00 0.00 N ATOM 90 CA VAL A 6 74.770 71.420 36.970 1.00 0.00 C ATOM 91 C VAL A 6 73.730 71.450 35.870 1.00 0.00 C ATOM 92 O VAL A 6 73.820 72.210 34.920 1.00 0.00 O ATOM 93 CB VAL A 6 74.720 72.710 37.780 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.300 72.960 38.280 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.670 72.650 38.970 1.00 0.00 C ATOM 0 H VAL A 6 76.359 71.898 35.727 1.00 0.00 H new ATOM 0 HA VAL A 6 74.546 70.589 37.639 1.00 0.00 H new ATOM 0 HB VAL A 6 75.030 73.526 37.128 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.275 73.884 38.858 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.624 73.046 37.429 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.985 72.129 38.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.613 73.584 39.529 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.388 71.821 39.619 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.690 72.502 38.614 1.00 0.00 H new ATOM 105 N LEU A 7 72.730 70.600 36.050 1.00 0.00 N ATOM 106 CA LEU A 7 71.600 70.420 35.140 1.00 0.00 C ATOM 107 C LEU A 7 70.440 71.380 35.480 1.00 0.00 C ATOM 108 O LEU A 7 70.060 71.600 36.630 1.00 0.00 O ATOM 109 CB LEU A 7 71.160 68.950 35.220 1.00 0.00 C ATOM 110 CG LEU A 7 72.240 67.950 34.810 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.750 66.540 35.040 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.510 68.040 33.330 1.00 0.00 C ATOM 0 H LEU A 7 72.678 69.990 36.866 1.00 0.00 H new ATOM 0 HA LEU A 7 71.902 70.661 34.121 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.847 68.731 36.241 1.00 0.00 H new ATOM 0 HB3 LEU A 7 70.288 68.808 34.582 1.00 0.00 H new ATOM 0 HG LEU A 7 73.130 68.179 35.396 1.00 0.00 H new ATOM 0 HD11 LEU A 7 72.525 65.833 34.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 71.517 66.404 36.096 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.854 66.365 34.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 73.282 67.321 33.057 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.596 67.818 32.779 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.848 69.046 33.082 1.00 0.00 H new ATOM 124 N ALA A 8 69.810 71.930 34.430 1.00 0.00 N ATOM 125 CA ALA A 8 68.520 72.630 34.500 1.00 0.00 C ATOM 126 C ALA A 8 67.460 71.680 35.050 1.00 0.00 C ATOM 127 O ALA A 8 67.430 70.500 34.670 1.00 0.00 O ATOM 128 CB ALA A 8 68.100 73.100 33.110 1.00 0.00 C ATOM 0 H ALA A 8 70.194 71.899 33.486 1.00 0.00 H new ATOM 0 HA ALA A 8 68.621 73.496 35.154 1.00 0.00 H new ATOM 0 HB1 ALA A 8 67.143 73.617 33.175 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.854 73.780 32.713 1.00 0.00 H new ATOM 0 HB3 ALA A 8 68.003 72.239 32.449 1.00 0.00 H new ATOM 134 N LYS A 9 66.510 72.180 35.840 1.00 0.00 N ATOM 135 CA LYS A 9 65.240 71.510 36.090 1.00 0.00 C ATOM 136 C LYS A 9 64.440 71.340 34.830 1.00 0.00 C ATOM 137 O LYS A 9 63.960 70.260 34.630 1.00 0.00 O ATOM 138 CB LYS A 9 64.430 72.280 37.120 1.00 0.00 C ATOM 139 CG LYS A 9 64.100 73.700 36.680 1.00 0.00 C ATOM 140 CD LYS A 9 63.350 74.470 37.730 1.00 0.00 C ATOM 141 CE LYS A 9 63.060 75.890 37.300 1.00 0.00 C ATOM 142 NZ LYS A 9 62.330 76.610 38.390 1.00 0.00 N ATOM 0 H LYS A 9 66.604 73.071 36.328 1.00 0.00 H new ATOM 0 HA LYS A 9 65.466 70.517 36.477 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.503 71.743 37.320 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.985 72.316 38.057 1.00 0.00 H new ATOM 0 HG2 LYS A 9 65.024 74.226 36.439 1.00 0.00 H new ATOM 0 HG3 LYS A 9 63.506 73.665 35.767 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.412 73.961 37.951 1.00 0.00 H new ATOM 0 HD3 LYS A 9 63.931 74.483 38.652 1.00 0.00 H new ATOM 0 HE2 LYS A 9 63.991 76.408 37.070 1.00 0.00 H new ATOM 0 HE3 LYS A 9 62.462 75.889 36.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 61.828 77.428 37.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 61.644 75.966 38.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 63.010 76.937 39.106 1.00 0.00 H new ATOM 156 N ASN A 10 64.260 72.290 33.950 1.00 0.00 N ATOM 157 CA ASN A 10 63.040 72.400 33.140 1.00 0.00 C ATOM 158 C ASN A 10 62.800 71.240 32.160 1.00 0.00 C ATOM 159 O ASN A 10 61.680 70.750 32.070 1.00 0.00 O ATOM 160 CB ASN A 10 63.130 73.740 32.410 1.00 0.00 C ATOM 161 CG ASN A 10 62.790 74.890 33.310 1.00 0.00 C ATOM 162 OD1 ASN A 10 62.120 74.680 34.300 1.00 0.00 O ATOM 163 ND2 ASN A 10 63.030 76.110 32.980 1.00 0.00 N ATOM 0 H ASN A 10 64.948 73.019 33.762 1.00 0.00 H new ATOM 0 HA ASN A 10 62.177 72.344 33.803 1.00 0.00 H new ATOM 0 HB2 ASN A 10 64.138 73.872 32.017 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.453 73.735 31.556 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.660 76.874 33.546 1.00 0.00 H new ATOM 0 HD22 ASN A 10 63.590 76.314 32.152 1.00 0.00 H new ATOM 170 N THR A 11 63.840 70.870 31.420 1.00 0.00 N ATOM 171 CA THR A 11 63.930 69.730 30.490 1.00 0.00 C ATOM 172 C THR A 11 64.000 68.340 31.140 1.00 0.00 C ATOM 173 O THR A 11 63.500 67.320 30.640 1.00 0.00 O ATOM 174 CB THR A 11 65.190 69.910 29.670 1.00 0.00 C ATOM 175 OG1 THR A 11 64.990 71.090 28.940 1.00 0.00 O ATOM 176 CG2 THR A 11 65.430 68.720 28.750 1.00 0.00 C ATOM 0 H THR A 11 64.714 71.395 31.451 1.00 0.00 H new ATOM 0 HA THR A 11 63.007 69.744 29.911 1.00 0.00 H new ATOM 0 HB THR A 11 66.076 69.973 30.302 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.777 71.268 28.383 1.00 0.00 H new ATOM 0 HG21 THR A 11 66.342 68.882 28.176 1.00 0.00 H new ATOM 0 HG22 THR A 11 65.533 67.814 29.347 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.587 68.612 28.068 1.00 0.00 H new ATOM 184 N ARG A 12 64.750 68.220 32.220 1.00 0.00 N ATOM 185 CA ARG A 12 64.910 66.910 32.800 1.00 0.00 C ATOM 186 C ARG A 12 64.010 66.770 33.990 1.00 0.00 C ATOM 187 O ARG A 12 63.320 65.790 34.120 1.00 0.00 O ATOM 188 CB ARG A 12 66.350 66.670 33.190 1.00 0.00 C ATOM 189 CG ARG A 12 66.560 65.260 33.730 1.00 0.00 C ATOM 190 CD ARG A 12 67.970 65.060 34.270 1.00 0.00 C ATOM 191 NE ARG A 12 68.960 65.230 33.220 1.00 0.00 N ATOM 192 CZ ARG A 12 69.320 64.270 32.380 1.00 0.00 C ATOM 193 NH1 ARG A 12 68.740 63.120 32.380 1.00 0.00 N ATOM 194 NH2 ARG A 12 70.250 64.440 31.540 1.00 0.00 N ATOM 0 H ARG A 12 65.237 68.981 32.693 1.00 0.00 H new ATOM 0 HA ARG A 12 64.634 66.161 32.058 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.993 66.828 32.324 1.00 0.00 H new ATOM 0 HB3 ARG A 12 66.649 67.397 33.945 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.837 65.064 34.522 1.00 0.00 H new ATOM 0 HG3 ARG A 12 66.369 64.536 32.938 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.160 65.773 35.073 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.060 64.063 34.701 1.00 0.00 H new ATOM 0 HE ARG A 12 69.405 66.143 33.124 1.00 0.00 H new ATOM 0 HH11 ARG A 12 67.984 62.930 33.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 69.037 62.399 31.723 1.00 0.00 H new ATOM 0 HH21 ARG A 12 70.742 65.332 31.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 70.508 63.685 30.905 1.00 0.00 H new ATOM 208 N LYS A 13 64.090 67.660 34.950 1.00 0.00 N ATOM 209 CA LYS A 13 63.550 67.450 36.300 1.00 0.00 C ATOM 210 C LYS A 13 63.810 66.080 36.960 1.00 0.00 C ATOM 211 O LYS A 13 62.860 65.480 37.470 1.00 0.00 O ATOM 212 CB LYS A 13 62.040 67.710 36.250 1.00 0.00 C ATOM 213 CG LYS A 13 61.760 69.200 36.120 1.00 0.00 C ATOM 214 CD LYS A 13 60.310 69.500 36.110 1.00 0.00 C ATOM 215 CE LYS A 13 59.970 70.980 35.930 1.00 0.00 C ATOM 216 NZ LYS A 13 58.500 71.230 35.930 1.00 0.00 N ATOM 0 H LYS A 13 64.536 68.569 34.828 1.00 0.00 H new ATOM 0 HA LYS A 13 64.095 68.148 36.936 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.601 67.177 35.407 1.00 0.00 H new ATOM 0 HB3 LYS A 13 61.568 67.323 37.153 1.00 0.00 H new ATOM 0 HG2 LYS A 13 62.233 69.730 36.947 1.00 0.00 H new ATOM 0 HG3 LYS A 13 62.213 69.574 35.202 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.840 68.932 35.307 1.00 0.00 H new ATOM 0 HD3 LYS A 13 59.873 69.151 37.046 1.00 0.00 H new ATOM 0 HE2 LYS A 13 60.434 71.556 36.731 1.00 0.00 H new ATOM 0 HE3 LYS A 13 60.396 71.336 34.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 58.321 72.247 35.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 58.058 70.702 35.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 58.094 70.916 36.835 1.00 0.00 H new ATOM 230 N SER A 14 65.020 65.520 37.000 1.00 0.00 N ATOM 231 CA SER A 14 65.210 64.330 37.860 1.00 0.00 C ATOM 232 C SER A 14 65.370 64.640 39.350 1.00 0.00 C ATOM 233 O SER A 14 64.610 64.150 40.170 1.00 0.00 O ATOM 234 CB SER A 14 66.400 63.550 37.370 1.00 0.00 C ATOM 235 OG SER A 14 67.590 64.260 37.610 1.00 0.00 O ATOM 0 H SER A 14 65.842 65.838 36.486 1.00 0.00 H new ATOM 0 HA SER A 14 64.293 63.746 37.780 1.00 0.00 H new ATOM 0 HB2 SER A 14 66.440 62.583 37.872 1.00 0.00 H new ATOM 0 HB3 SER A 14 66.297 63.352 36.303 1.00 0.00 H new ATOM 0 HG SER A 14 68.354 63.738 37.287 1.00 0.00 H new ATOM 241 N ASP A 15 66.220 65.590 39.630 1.00 0.00 N ATOM 242 CA ASP A 15 66.500 66.160 40.930 1.00 0.00 C ATOM 243 C ASP A 15 67.260 67.500 40.860 1.00 0.00 C ATOM 244 O ASP A 15 67.610 68.090 41.870 1.00 0.00 O ATOM 245 CB ASP A 15 67.260 65.170 41.790 1.00 0.00 C ATOM 246 CG ASP A 15 68.650 64.790 41.260 1.00 0.00 C ATOM 247 OD1 ASP A 15 68.990 65.260 40.170 1.00 0.00 O ATOM 248 OD2 ASP A 15 69.330 63.960 41.910 1.00 0.00 O ATOM 0 H ASP A 15 66.783 66.024 38.899 1.00 0.00 H new ATOM 0 HA ASP A 15 65.533 66.375 41.385 1.00 0.00 H new ATOM 0 HB2 ASP A 15 67.370 65.589 42.790 1.00 0.00 H new ATOM 0 HB3 ASP A 15 66.664 64.263 41.888 1.00 0.00 H new ATOM 253 N ALA A 16 67.420 68.030 39.640 1.00 0.00 N ATOM 254 CA ALA A 16 68.550 68.900 39.280 1.00 0.00 C ATOM 255 C ALA A 16 68.490 70.170 40.130 1.00 0.00 C ATOM 256 O ALA A 16 69.490 70.740 40.510 1.00 0.00 O ATOM 257 CB ALA A 16 68.480 69.260 37.790 1.00 0.00 C ATOM 0 H ALA A 16 66.768 67.868 38.872 1.00 0.00 H new ATOM 0 HA ALA A 16 69.489 68.379 39.468 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.320 69.904 37.532 1.00 0.00 H new ATOM 0 HB2 ALA A 16 68.524 68.349 37.193 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.546 69.783 37.585 1.00 0.00 H new ATOM 263 N LYS A 17 67.280 70.700 40.320 1.00 0.00 N ATOM 264 CA LYS A 17 67.080 72.080 40.730 1.00 0.00 C ATOM 265 C LYS A 17 67.750 72.390 42.040 1.00 0.00 C ATOM 266 O LYS A 17 67.680 71.550 42.900 1.00 0.00 O ATOM 267 CB LYS A 17 65.580 72.350 40.830 1.00 0.00 C ATOM 268 CG LYS A 17 65.310 73.810 41.170 1.00 0.00 C ATOM 269 CD LYS A 17 63.810 74.080 41.220 1.00 0.00 C ATOM 270 CE LYS A 17 63.540 75.540 41.580 1.00 0.00 C ATOM 271 NZ LYS A 17 62.080 75.810 41.580 1.00 0.00 N ATOM 0 H LYS A 17 66.413 70.178 40.192 1.00 0.00 H new ATOM 0 HA LYS A 17 67.536 72.728 39.981 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.098 72.098 39.886 1.00 0.00 H new ATOM 0 HB3 LYS A 17 65.141 71.708 41.594 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.761 74.055 42.131 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.777 74.455 40.425 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.361 73.848 40.254 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.341 73.426 41.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.958 75.763 42.562 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.038 76.196 40.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.915 76.827 41.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.628 75.274 40.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.673 75.519 42.492 1.00 0.00 H new ATOM 285 N SER A 18 68.220 73.640 42.160 1.00 0.00 N ATOM 286 CA SER A 18 68.840 74.370 43.300 1.00 0.00 C ATOM 287 C SER A 18 70.160 73.760 43.760 1.00 0.00 C ATOM 288 O SER A 18 70.650 74.090 44.840 1.00 0.00 O ATOM 289 CB SER A 18 67.850 74.550 44.450 1.00 0.00 C ATOM 290 OG SER A 18 66.700 75.290 44.060 1.00 0.00 O ATOM 0 H SER A 18 68.171 74.258 41.350 1.00 0.00 H new ATOM 0 HA SER A 18 69.095 75.363 42.929 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.542 73.571 44.818 1.00 0.00 H new ATOM 0 HB3 SER A 18 68.345 75.060 45.276 1.00 0.00 H new ATOM 0 HG SER A 18 66.094 75.380 44.825 1.00 0.00 H new ATOM 296 N VAL A 19 70.710 72.890 42.920 1.00 0.00 N ATOM 297 CA VAL A 19 72.030 72.280 43.030 1.00 0.00 C ATOM 298 C VAL A 19 73.170 73.250 42.790 1.00 0.00 C ATOM 299 O VAL A 19 74.160 73.150 43.490 1.00 0.00 O ATOM 300 CB VAL A 19 72.140 71.140 42.020 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.570 70.690 41.820 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.340 69.960 42.550 1.00 0.00 C ATOM 0 H VAL A 19 70.212 72.571 42.089 1.00 0.00 H new ATOM 0 HA VAL A 19 72.123 71.923 44.056 1.00 0.00 H new ATOM 0 HB VAL A 19 71.761 71.497 41.062 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.598 69.878 41.093 1.00 0.00 H new ATOM 0 HG12 VAL A 19 74.166 71.525 41.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.978 70.342 42.769 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.403 69.131 41.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.745 69.649 43.513 1.00 0.00 H new ATOM 0 HG23 VAL A 19 70.297 70.253 42.673 1.00 0.00 H new ATOM 312 N GLU A 20 73.030 74.190 41.870 1.00 0.00 N ATOM 313 CA GLU A 20 74.100 75.150 41.640 1.00 0.00 C ATOM 314 C GLU A 20 74.370 75.870 42.920 1.00 0.00 C ATOM 315 O GLU A 20 75.500 75.790 43.320 1.00 0.00 O ATOM 316 CB GLU A 20 73.770 76.150 40.540 1.00 0.00 C ATOM 317 CG GLU A 20 72.530 76.960 40.860 1.00 0.00 C ATOM 318 CD GLU A 20 72.130 77.850 39.720 1.00 0.00 C ATOM 319 OE1 GLU A 20 72.740 77.820 38.640 1.00 0.00 O ATOM 320 OE2 GLU A 20 71.220 78.640 40.000 1.00 0.00 O ATOM 0 H GLU A 20 72.206 74.310 41.281 1.00 0.00 H new ATOM 0 HA GLU A 20 74.981 74.602 41.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 74.615 76.823 40.397 1.00 0.00 H new ATOM 0 HB3 GLU A 20 73.623 75.619 39.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 71.708 76.285 41.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 72.712 77.567 41.747 1.00 0.00 H new ATOM 327 N LEU A 21 73.420 76.420 43.670 1.00 0.00 N ATOM 328 CA LEU A 21 73.760 77.440 44.660 1.00 0.00 C ATOM 329 C LEU A 21 74.640 76.820 45.740 1.00 0.00 C ATOM 330 O LEU A 21 75.590 77.450 46.200 1.00 0.00 O ATOM 331 CB LEU A 21 72.490 78.020 45.290 1.00 0.00 C ATOM 332 CG LEU A 21 71.660 78.840 44.290 1.00 0.00 C ATOM 333 CD1 LEU A 21 70.420 79.380 44.970 1.00 0.00 C ATOM 334 CD2 LEU A 21 72.410 80.040 43.790 1.00 0.00 C ATOM 0 H LEU A 21 72.429 76.184 43.615 1.00 0.00 H new ATOM 0 HA LEU A 21 74.300 78.249 44.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.880 77.207 45.684 1.00 0.00 H new ATOM 0 HB3 LEU A 21 72.763 78.652 46.135 1.00 0.00 H new ATOM 0 HG LEU A 21 71.422 78.169 43.464 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.836 79.960 44.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.818 78.550 45.341 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.711 80.019 45.804 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.787 80.591 43.086 1.00 0.00 H new ATOM 0 HD22 LEU A 21 72.666 80.685 44.630 1.00 0.00 H new ATOM 0 HD23 LEU A 21 73.323 79.716 43.290 1.00 0.00 H new ATOM 346 N GLU A 22 74.190 75.640 46.160 1.00 0.00 N ATOM 347 CA GLU A 22 74.790 74.670 47.080 1.00 0.00 C ATOM 348 C GLU A 22 76.120 74.140 46.640 1.00 0.00 C ATOM 349 O GLU A 22 77.010 74.120 47.490 1.00 0.00 O ATOM 350 CB GLU A 22 73.870 73.500 47.330 1.00 0.00 C ATOM 351 CG GLU A 22 72.610 73.880 48.050 1.00 0.00 C ATOM 352 CD GLU A 22 71.720 72.670 48.200 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.130 71.570 47.840 1.00 0.00 O ATOM 354 OE2 GLU A 22 70.670 72.920 48.830 1.00 0.00 O ATOM 0 H GLU A 22 73.289 75.299 45.825 1.00 0.00 H new ATOM 0 HA GLU A 22 74.949 75.237 47.997 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.611 73.040 46.376 1.00 0.00 H new ATOM 0 HB3 GLU A 22 74.401 72.747 47.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.851 74.289 49.031 1.00 0.00 H new ATOM 0 HG3 GLU A 22 72.087 74.661 47.498 1.00 0.00 H new ATOM 361 N ASP A 23 76.290 73.860 45.350 1.00 0.00 N ATOM 362 CA ASP A 23 77.580 73.490 44.860 1.00 0.00 C ATOM 363 C ASP A 23 78.520 74.630 44.980 1.00 0.00 C ATOM 364 O ASP A 23 79.640 74.440 45.440 1.00 0.00 O ATOM 365 CB ASP A 23 77.560 73.020 43.430 1.00 0.00 C ATOM 366 CG ASP A 23 76.940 71.630 43.340 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.940 70.920 44.380 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.570 71.240 42.230 1.00 0.00 O ATOM 0 H ASP A 23 75.551 73.886 44.647 1.00 0.00 H new ATOM 0 HA ASP A 23 77.910 72.653 45.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.991 73.720 42.818 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.575 73.000 43.032 1.00 0.00 H new ATOM 373 N LEU A 24 78.060 75.840 44.690 1.00 0.00 N ATOM 374 CA LEU A 24 78.950 76.970 44.670 1.00 0.00 C ATOM 375 C LEU A 24 79.590 77.110 46.050 1.00 0.00 C ATOM 376 O LEU A 24 80.800 77.160 46.170 1.00 0.00 O ATOM 377 CB LEU A 24 78.220 78.250 44.250 1.00 0.00 C ATOM 378 CG LEU A 24 77.420 78.190 42.970 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.640 79.440 42.690 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.210 77.730 41.770 1.00 0.00 C ATOM 0 H LEU A 24 77.087 76.053 44.469 1.00 0.00 H new ATOM 0 HA LEU A 24 79.731 76.807 43.927 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.547 78.538 45.058 1.00 0.00 H new ATOM 0 HB3 LEU A 24 78.959 79.046 44.152 1.00 0.00 H new ATOM 0 HG LEU A 24 76.685 77.407 43.156 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.091 79.324 41.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.938 79.621 43.504 1.00 0.00 H new ATOM 0 HD13 LEU A 24 77.324 80.285 42.607 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.563 77.715 40.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 79.040 78.415 41.597 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.598 76.728 41.952 1.00 0.00 H new ATOM 392 N TYR A 25 78.780 77.110 47.120 1.00 0.00 N ATOM 393 CA TYR A 25 79.320 77.200 48.470 1.00 0.00 C ATOM 394 C TYR A 25 80.180 76.000 48.870 1.00 0.00 C ATOM 395 O TYR A 25 81.280 76.190 49.390 1.00 0.00 O ATOM 396 CB TYR A 25 78.190 77.380 49.470 1.00 0.00 C ATOM 397 CG TYR A 25 78.710 77.490 50.880 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.990 78.750 51.440 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.820 76.340 51.690 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.430 78.860 52.760 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.190 76.460 53.050 1.00 0.00 C ATOM 402 CZ TYR A 25 79.520 77.720 53.570 1.00 0.00 C ATOM 403 OH TYR A 25 79.830 77.890 54.880 1.00 0.00 O ATOM 0 H TYR A 25 77.763 77.049 47.071 1.00 0.00 H new ATOM 0 HA TYR A 25 79.979 78.068 48.479 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.621 78.276 49.220 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.503 76.537 49.400 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.863 79.641 50.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.621 75.365 51.270 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.702 79.826 53.158 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.218 75.586 53.684 1.00 0.00 H new ATOM 0 HH TYR A 25 79.858 77.018 55.325 1.00 0.00 H new ATOM 413 N HIS A 26 79.630 74.800 48.680 1.00 0.00 N ATOM 414 CA HIS A 26 80.260 73.580 49.170 1.00 0.00 C ATOM 415 C HIS A 26 81.540 73.270 48.400 1.00 0.00 C ATOM 416 O HIS A 26 82.550 72.920 49.000 1.00 0.00 O ATOM 417 CB HIS A 26 79.290 72.420 49.090 1.00 0.00 C ATOM 418 CG HIS A 26 79.910 71.090 49.480 1.00 0.00 C ATOM 419 ND1 HIS A 26 80.040 70.720 50.810 1.00 0.00 N ATOM 420 CD2 HIS A 26 80.410 70.070 48.700 1.00 0.00 C ATOM 421 CE1 HIS A 26 80.620 69.510 50.770 1.00 0.00 C ATOM 422 NE2 HIS A 26 80.810 69.080 49.530 1.00 0.00 N ATOM 0 H HIS A 26 78.748 74.650 48.189 1.00 0.00 H new ATOM 0 HA HIS A 26 80.533 73.735 50.214 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.439 72.621 49.741 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.903 72.348 48.073 1.00 0.00 H new ATOM 0 HD2 HIS A 26 80.471 70.063 47.622 1.00 0.00 H new ATOM 0 HE1 HIS A 26 80.901 68.949 51.649 1.00 0.00 H new ATOM 0 HE2 HIS A 26 81.187 68.173 49.254 1.00 0.00 H new ATOM 430 N GLU A 27 81.510 73.430 47.080 1.00 0.00 N ATOM 431 CA GLU A 27 82.660 73.170 46.220 1.00 0.00 C ATOM 432 C GLU A 27 83.730 74.150 46.510 1.00 0.00 C ATOM 433 O GLU A 27 84.860 73.740 46.700 1.00 0.00 O ATOM 434 CB GLU A 27 82.340 73.300 44.720 1.00 0.00 C ATOM 435 CG GLU A 27 81.490 72.160 44.240 1.00 0.00 C ATOM 436 CD GLU A 27 81.120 72.170 42.790 1.00 0.00 C ATOM 437 OE1 GLU A 27 81.370 73.210 42.160 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.710 71.100 42.280 1.00 0.00 O ATOM 0 H GLU A 27 80.682 73.745 46.574 1.00 0.00 H new ATOM 0 HA GLU A 27 82.963 72.144 46.430 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.824 74.243 44.537 1.00 0.00 H new ATOM 0 HB3 GLU A 27 83.268 73.329 44.150 1.00 0.00 H new ATOM 0 HG2 GLU A 27 82.016 71.229 44.452 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.572 72.148 44.827 1.00 0.00 H new ATOM 445 N PHE A 28 83.360 75.420 46.650 1.00 0.00 N ATOM 446 CA PHE A 28 84.310 76.460 46.890 1.00 0.00 C ATOM 447 C PHE A 28 85.070 76.120 48.160 1.00 0.00 C ATOM 448 O PHE A 28 86.280 76.260 48.230 1.00 0.00 O ATOM 449 CB PHE A 28 83.590 77.790 47.020 1.00 0.00 C ATOM 450 CG PHE A 28 84.520 78.920 47.320 1.00 0.00 C ATOM 451 CD1 PHE A 28 85.180 78.960 48.560 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.740 79.920 46.370 1.00 0.00 C ATOM 453 CE1 PHE A 28 86.090 79.960 48.820 1.00 0.00 C ATOM 454 CE2 PHE A 28 85.620 80.970 46.640 1.00 0.00 C ATOM 455 CZ PHE A 28 86.270 80.940 47.880 1.00 0.00 C ATOM 0 H PHE A 28 82.393 75.739 46.598 1.00 0.00 H new ATOM 0 HA PHE A 28 85.012 76.543 46.061 1.00 0.00 H new ATOM 0 HB2 PHE A 28 83.055 78.001 46.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.843 77.719 47.811 1.00 0.00 H new ATOM 0 HD1 PHE A 28 84.974 78.208 49.307 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.226 79.881 45.421 1.00 0.00 H new ATOM 0 HE1 PHE A 28 86.649 79.971 49.744 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.791 81.765 45.929 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.957 81.741 48.110 1.00 0.00 H new ATOM 465 N SER A 29 84.340 75.790 49.230 1.00 0.00 N ATOM 466 CA SER A 29 84.880 75.550 50.560 1.00 0.00 C ATOM 467 C SER A 29 85.770 74.310 50.630 1.00 0.00 C ATOM 468 O SER A 29 86.770 74.320 51.370 1.00 0.00 O ATOM 469 CB SER A 29 83.700 75.490 51.530 1.00 0.00 C ATOM 470 OG SER A 29 82.690 74.620 51.130 1.00 0.00 O ATOM 0 H SER A 29 83.327 75.681 49.187 1.00 0.00 H new ATOM 0 HA SER A 29 85.547 76.366 50.838 1.00 0.00 H new ATOM 0 HB2 SER A 29 84.063 75.184 52.511 1.00 0.00 H new ATOM 0 HB3 SER A 29 83.282 76.490 51.642 1.00 0.00 H new ATOM 0 HG SER A 29 82.048 75.101 50.567 1.00 0.00 H new ATOM 476 N GLU A 30 85.360 73.250 49.950 1.00 0.00 N ATOM 477 CA GLU A 30 86.020 71.950 49.950 1.00 0.00 C ATOM 478 C GLU A 30 87.250 71.950 49.040 1.00 0.00 C ATOM 479 O GLU A 30 88.310 71.440 49.430 1.00 0.00 O ATOM 480 CB GLU A 30 85.010 70.900 49.460 1.00 0.00 C ATOM 481 CG GLU A 30 85.670 69.520 49.360 1.00 0.00 C ATOM 482 CD GLU A 30 84.720 68.440 48.890 1.00 0.00 C ATOM 483 OE1 GLU A 30 83.540 68.780 48.740 1.00 0.00 O ATOM 484 OE2 GLU A 30 85.120 67.250 48.810 1.00 0.00 O ATOM 0 H GLU A 30 84.528 73.271 49.361 1.00 0.00 H new ATOM 0 HA GLU A 30 86.358 71.719 50.960 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.163 70.855 50.145 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.617 71.192 48.486 1.00 0.00 H new ATOM 0 HG2 GLU A 30 86.514 69.577 48.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 86.070 69.244 50.335 1.00 0.00 H new ATOM 491 N ASP A 31 87.120 72.520 47.840 1.00 0.00 N ATOM 492 CA ASP A 31 88.070 72.430 46.720 1.00 0.00 C ATOM 493 C ASP A 31 88.050 73.660 45.790 1.00 0.00 C ATOM 494 O ASP A 31 87.180 74.510 45.830 1.00 0.00 O ATOM 495 CB ASP A 31 87.800 71.150 45.900 1.00 0.00 C ATOM 496 CG ASP A 31 86.420 71.170 45.250 1.00 0.00 C ATOM 497 OD1 ASP A 31 86.250 71.910 44.290 1.00 0.00 O ATOM 498 OD2 ASP A 31 85.630 70.240 45.570 1.00 0.00 O ATOM 0 H ASP A 31 86.306 73.089 47.607 1.00 0.00 H new ATOM 0 HA ASP A 31 89.064 72.395 47.165 1.00 0.00 H new ATOM 0 HB2 ASP A 31 88.563 71.046 45.129 1.00 0.00 H new ATOM 0 HB3 ASP A 31 87.882 70.279 46.550 1.00 0.00 H new ATOM 503 N LYS A 32 89.030 73.810 44.900 1.00 0.00 N ATOM 504 CA LYS A 32 89.030 74.880 43.880 1.00 0.00 C ATOM 505 C LYS A 32 89.120 74.380 42.450 1.00 0.00 C ATOM 506 O LYS A 32 90.070 73.650 42.220 1.00 0.00 O ATOM 507 CB LYS A 32 90.160 75.860 44.200 1.00 0.00 C ATOM 508 CG LYS A 32 91.550 75.220 44.140 1.00 0.00 C ATOM 509 CD LYS A 32 92.620 76.260 44.450 1.00 0.00 C ATOM 510 CE LYS A 32 94.010 75.640 44.340 1.00 0.00 C ATOM 511 NZ LYS A 32 95.060 76.620 44.700 1.00 0.00 N ATOM 0 H LYS A 32 89.847 73.201 44.858 1.00 0.00 H new ATOM 0 HA LYS A 32 88.063 75.380 43.932 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.120 76.692 43.497 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.001 76.275 45.195 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.612 74.399 44.855 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.721 74.795 43.151 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.533 77.098 43.759 1.00 0.00 H new ATOM 0 HD3 LYS A 32 92.470 76.658 45.454 1.00 0.00 H new ATOM 0 HE2 LYS A 32 94.078 74.772 44.996 1.00 0.00 H new ATOM 0 HE3 LYS A 32 94.174 75.284 43.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 95.995 76.173 44.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.008 77.436 44.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.915 76.940 45.679 1.00 0.00 H new ATOM 525 N ARG A 33 88.210 74.770 41.550 1.00 0.00 N ATOM 526 CA ARG A 33 87.430 73.930 40.580 1.00 0.00 C ATOM 527 C ARG A 33 86.610 74.780 39.570 1.00 0.00 C ATOM 528 O ARG A 33 86.720 75.980 39.470 1.00 0.00 O ATOM 529 CB ARG A 33 86.520 72.980 41.390 1.00 0.00 C ATOM 530 CG ARG A 33 85.820 71.900 40.560 1.00 0.00 C ATOM 531 CD ARG A 33 84.820 71.110 41.350 1.00 0.00 C ATOM 532 NE ARG A 33 85.400 70.050 42.070 1.00 0.00 N ATOM 533 CZ ARG A 33 84.650 69.280 42.820 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.340 69.330 42.800 1.00 0.00 N ATOM 535 NH2 ARG A 33 85.250 68.290 43.420 1.00 0.00 N ATOM 0 H ARG A 33 87.967 75.756 41.458 1.00 0.00 H new ATOM 0 HA ARG A 33 88.128 73.355 39.972 1.00 0.00 H new ATOM 0 HB2 ARG A 33 87.119 72.495 42.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.762 73.574 41.902 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.318 72.369 39.714 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.569 71.222 40.151 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.307 71.775 42.044 1.00 0.00 H new ATOM 0 HD3 ARG A 33 84.064 70.711 40.673 1.00 0.00 H new ATOM 0 HE ARG A 33 86.404 69.881 42.008 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.864 69.988 42.183 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.797 68.711 43.402 1.00 0.00 H new ATOM 0 HH21 ARG A 33 86.252 68.148 43.293 1.00 0.00 H new ATOM 0 HH22 ARG A 33 84.717 67.657 44.017 1.00 0.00 H new ATOM 549 N SER A 34 85.880 74.160 38.670 1.00 0.00 N ATOM 550 CA SER A 34 85.110 74.710 37.600 1.00 0.00 C ATOM 551 C SER A 34 83.980 73.740 37.310 1.00 0.00 C ATOM 552 O SER A 34 84.000 72.580 37.750 1.00 0.00 O ATOM 553 CB SER A 34 86.040 74.970 36.400 1.00 0.00 C ATOM 554 OG SER A 34 86.500 73.780 35.800 1.00 0.00 O ATOM 0 H SER A 34 85.811 73.142 38.681 1.00 0.00 H new ATOM 0 HA SER A 34 84.662 75.672 37.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 85.509 75.565 35.657 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.895 75.560 36.730 1.00 0.00 H new ATOM 0 HG SER A 34 87.084 73.999 35.044 1.00 0.00 H new ATOM 560 N ILE A 35 83.010 74.230 36.570 1.00 0.00 N ATOM 561 CA ILE A 35 81.790 73.530 36.240 1.00 0.00 C ATOM 562 C ILE A 35 81.320 73.960 34.870 1.00 0.00 C ATOM 563 O ILE A 35 81.650 75.010 34.340 1.00 0.00 O ATOM 564 CB ILE A 35 80.670 73.780 37.280 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.320 75.270 37.370 1.00 0.00 C ATOM 566 CG2 ILE A 35 81.120 73.300 38.640 1.00 0.00 C ATOM 567 CD1 ILE A 35 79.080 75.500 38.220 1.00 0.00 C ATOM 0 H ILE A 35 83.052 75.165 36.166 1.00 0.00 H new ATOM 0 HA ILE A 35 82.008 72.462 36.248 1.00 0.00 H new ATOM 0 HB ILE A 35 79.785 73.230 36.959 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.161 75.817 37.796 1.00 0.00 H new ATOM 0 HG13 ILE A 35 80.155 75.667 36.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.329 73.478 39.369 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.339 72.233 38.595 1.00 0.00 H new ATOM 0 HG23 ILE A 35 82.017 73.842 38.939 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.861 76.567 38.262 1.00 0.00 H new ATOM 0 HD12 ILE A 35 78.234 74.973 37.779 1.00 0.00 H new ATOM 0 HD13 ILE A 35 79.256 75.125 39.228 1.00 0.00 H new ATOM 579 N PHE A 36 80.520 73.080 34.310 1.00 0.00 N ATOM 580 CA PHE A 36 79.580 73.380 33.250 1.00 0.00 C ATOM 581 C PHE A 36 78.160 73.510 33.810 1.00 0.00 C ATOM 582 O PHE A 36 77.720 72.680 34.590 1.00 0.00 O ATOM 583 CB PHE A 36 79.720 72.290 32.220 1.00 0.00 C ATOM 584 CG PHE A 36 80.970 72.320 31.420 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.020 73.070 30.260 1.00 0.00 C ATOM 586 CD2 PHE A 36 82.080 71.610 31.890 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.220 73.130 29.560 1.00 0.00 C ATOM 588 CE2 PHE A 36 83.270 71.680 31.190 1.00 0.00 C ATOM 589 CZ PHE A 36 83.330 72.410 30.030 1.00 0.00 C ATOM 0 H PHE A 36 80.505 72.099 34.590 1.00 0.00 H new ATOM 0 HA PHE A 36 79.790 74.341 32.780 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.657 71.327 32.726 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.872 72.348 31.538 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.147 73.597 29.905 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.008 71.015 32.788 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.298 73.725 28.662 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.146 71.164 31.554 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.251 72.431 29.466 1.00 0.00 H new ATOM 599 N TYR A 37 77.400 74.480 33.330 1.00 0.00 N ATOM 600 CA TYR A 37 75.950 74.620 33.550 1.00 0.00 C ATOM 601 C TYR A 37 75.040 74.310 32.330 1.00 0.00 C ATOM 602 O TYR A 37 74.920 75.080 31.370 1.00 0.00 O ATOM 603 CB TYR A 37 75.690 76.020 34.040 1.00 0.00 C ATOM 604 CG TYR A 37 74.370 76.150 34.730 1.00 0.00 C ATOM 605 CD1 TYR A 37 74.250 75.740 36.050 1.00 0.00 C ATOM 606 CD2 TYR A 37 73.250 76.650 34.040 1.00 0.00 C ATOM 607 CE1 TYR A 37 73.000 75.820 36.690 1.00 0.00 C ATOM 608 CE2 TYR A 37 72.010 76.740 34.690 1.00 0.00 C ATOM 609 CZ TYR A 37 71.890 76.360 36.040 1.00 0.00 C ATOM 610 OH TYR A 37 70.690 76.390 36.670 1.00 0.00 O ATOM 0 H TYR A 37 77.782 75.228 32.751 1.00 0.00 H new ATOM 0 HA TYR A 37 75.679 73.858 34.281 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.485 76.315 34.725 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.724 76.709 33.196 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.110 75.362 36.582 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.345 76.964 33.011 1.00 0.00 H new ATOM 0 HE1 TYR A 37 72.898 75.457 37.702 1.00 0.00 H new ATOM 0 HE2 TYR A 37 71.145 77.102 34.153 1.00 0.00 H new ATOM 0 HH TYR A 37 70.022 76.798 36.081 1.00 0.00 H new ATOM 620 N PHE A 38 74.470 73.100 32.370 1.00 0.00 N ATOM 621 CA PHE A 38 73.780 72.330 31.330 1.00 0.00 C ATOM 622 C PHE A 38 72.310 72.650 31.500 1.00 0.00 C ATOM 623 O PHE A 38 71.540 71.960 32.190 1.00 0.00 O ATOM 624 CB PHE A 38 74.010 70.820 31.460 1.00 0.00 C ATOM 625 CG PHE A 38 73.300 69.940 30.420 1.00 0.00 C ATOM 626 CD1 PHE A 38 72.300 70.470 29.570 1.00 0.00 C ATOM 627 CD2 PHE A 38 73.650 68.590 30.240 1.00 0.00 C ATOM 628 CE1 PHE A 38 71.660 69.720 28.610 1.00 0.00 C ATOM 629 CE2 PHE A 38 73.010 67.820 29.250 1.00 0.00 C ATOM 630 CZ PHE A 38 72.010 68.390 28.440 1.00 0.00 C ATOM 0 H PHE A 38 74.484 72.572 33.243 1.00 0.00 H new ATOM 0 HA PHE A 38 74.161 72.600 30.345 1.00 0.00 H new ATOM 0 HB2 PHE A 38 75.081 70.629 31.398 1.00 0.00 H new ATOM 0 HB3 PHE A 38 73.687 70.507 32.453 1.00 0.00 H new ATOM 0 HD1 PHE A 38 72.027 71.509 29.680 1.00 0.00 H new ATOM 0 HD2 PHE A 38 74.411 68.143 30.862 1.00 0.00 H new ATOM 0 HE1 PHE A 38 70.892 70.164 27.994 1.00 0.00 H new ATOM 0 HE2 PHE A 38 73.288 66.786 29.111 1.00 0.00 H new ATOM 0 HZ PHE A 38 71.517 67.792 27.688 1.00 0.00 H new ATOM 640 N ALA A 39 71.880 73.650 30.760 1.00 0.00 N ATOM 641 CA ALA A 39 70.670 74.370 31.070 1.00 0.00 C ATOM 642 C ALA A 39 69.980 74.690 29.780 1.00 0.00 C ATOM 643 O ALA A 39 70.620 74.770 28.780 1.00 0.00 O ATOM 644 CB ALA A 39 70.960 75.640 31.830 1.00 0.00 C ATOM 0 H ALA A 39 72.363 73.985 29.926 1.00 0.00 H new ATOM 0 HA ALA A 39 70.036 73.752 31.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 70.025 76.156 32.046 1.00 0.00 H new ATOM 0 HB2 ALA A 39 71.465 75.397 32.765 1.00 0.00 H new ATOM 0 HB3 ALA A 39 71.600 76.286 31.229 1.00 0.00 H new ATOM 650 N PRO A 40 68.660 74.780 29.740 1.00 0.00 N ATOM 651 CA PRO A 40 67.960 74.030 28.720 1.00 0.00 C ATOM 652 C PRO A 40 68.240 74.510 27.280 1.00 0.00 C ATOM 653 O PRO A 40 68.200 75.710 27.050 1.00 0.00 O ATOM 654 CB PRO A 40 66.500 74.230 29.140 1.00 0.00 C ATOM 655 CG PRO A 40 66.480 75.590 29.830 1.00 0.00 C ATOM 656 CD PRO A 40 67.790 75.570 30.580 1.00 0.00 C ATOM 0 HA PRO A 40 68.272 72.987 28.670 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.834 74.213 28.277 1.00 0.00 H new ATOM 0 HB3 PRO A 40 66.169 73.439 29.813 1.00 0.00 H new ATOM 0 HG2 PRO A 40 66.430 76.411 29.115 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.626 75.697 30.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 68.182 76.577 30.726 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.677 75.125 31.569 1.00 0.00 H new ATOM 664 N THR A 41 68.210 73.590 26.290 1.00 0.00 N ATOM 665 CA THR A 41 68.060 73.980 24.870 1.00 0.00 C ATOM 666 C THR A 41 66.640 74.510 24.630 1.00 0.00 C ATOM 667 O THR A 41 66.380 75.470 23.900 1.00 0.00 O ATOM 668 CB THR A 41 68.250 72.780 23.900 1.00 0.00 C ATOM 669 OG1 THR A 41 69.490 72.260 24.040 1.00 0.00 O ATOM 670 CG2 THR A 41 68.090 73.160 22.450 1.00 0.00 C ATOM 0 H THR A 41 68.287 72.585 26.445 1.00 0.00 H new ATOM 0 HA THR A 41 68.825 74.732 24.675 1.00 0.00 H new ATOM 0 HB THR A 41 67.475 72.061 24.164 1.00 0.00 H new ATOM 0 HG1 THR A 41 70.121 72.975 24.263 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.234 72.279 21.825 1.00 0.00 H new ATOM 0 HG22 THR A 41 67.089 73.560 22.287 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.830 73.916 22.188 1.00 0.00 H new ATOM 678 N ASN A 42 65.700 73.870 25.310 1.00 0.00 N ATOM 679 CA ASN A 42 64.270 73.810 25.010 1.00 0.00 C ATOM 680 C ASN A 42 63.540 75.140 25.200 1.00 0.00 C ATOM 681 O ASN A 42 62.630 75.470 24.460 1.00 0.00 O ATOM 682 CB ASN A 42 63.690 72.720 25.910 1.00 0.00 C ATOM 683 CG ASN A 42 64.150 71.330 25.510 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.580 71.080 24.410 1.00 0.00 O ATOM 685 ND2 ASN A 42 64.160 70.410 26.420 1.00 0.00 N ATOM 0 H ASN A 42 65.930 73.338 26.149 1.00 0.00 H new ATOM 0 HA ASN A 42 64.131 73.583 23.953 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.982 72.913 26.942 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.602 72.764 25.873 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.529 69.484 26.205 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.799 70.611 27.353 1.00 0.00 H new ATOM 692 N ALA A 43 63.920 75.850 26.260 1.00 0.00 N ATOM 693 CA ALA A 43 63.270 77.070 26.660 1.00 0.00 C ATOM 694 C ALA A 43 64.170 78.250 26.970 1.00 0.00 C ATOM 695 O ALA A 43 63.760 79.370 27.020 1.00 0.00 O ATOM 696 CB ALA A 43 62.640 76.800 27.970 1.00 0.00 C ATOM 0 H ALA A 43 64.697 75.581 26.864 1.00 0.00 H new ATOM 0 HA ALA A 43 62.629 77.331 25.818 1.00 0.00 H new ATOM 0 HB1 ALA A 43 62.131 77.698 28.321 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.918 75.990 27.866 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.406 76.513 28.690 1.00 0.00 H new ATOM 702 N HIS A 44 65.470 77.960 27.180 1.00 0.00 N ATOM 703 CA HIS A 44 66.490 78.930 27.590 1.00 0.00 C ATOM 704 C HIS A 44 65.960 79.740 28.730 1.00 0.00 C ATOM 705 O HIS A 44 66.150 80.950 28.780 1.00 0.00 O ATOM 706 CB HIS A 44 67.000 79.880 26.470 1.00 0.00 C ATOM 707 CG HIS A 44 67.700 79.170 25.340 1.00 0.00 C ATOM 708 ND1 HIS A 44 68.900 78.500 25.510 1.00 0.00 N ATOM 709 CD2 HIS A 44 67.350 79.060 24.030 1.00 0.00 C ATOM 710 CE1 HIS A 44 69.170 77.970 24.310 1.00 0.00 C ATOM 711 NE2 HIS A 44 68.260 78.300 23.390 1.00 0.00 N ATOM 0 H HIS A 44 65.843 77.018 27.064 1.00 0.00 H new ATOM 0 HA HIS A 44 67.360 78.339 27.876 1.00 0.00 H new ATOM 0 HB2 HIS A 44 66.155 80.438 26.067 1.00 0.00 H new ATOM 0 HB3 HIS A 44 67.683 80.608 26.908 1.00 0.00 H new ATOM 0 HD2 HIS A 44 66.480 79.511 23.575 1.00 0.00 H new ATOM 0 HE1 HIS A 44 70.028 77.345 24.109 1.00 0.00 H new ATOM 0 HE2 HIS A 44 68.255 78.032 22.406 1.00 0.00 H new ATOM 719 N LYS A 45 65.240 79.120 29.670 1.00 0.00 N ATOM 720 CA LYS A 45 64.810 79.880 30.830 1.00 0.00 C ATOM 721 C LYS A 45 65.730 79.690 32.020 1.00 0.00 C ATOM 722 O LYS A 45 66.100 80.680 32.650 1.00 0.00 O ATOM 723 CB LYS A 45 63.370 79.530 31.170 1.00 0.00 C ATOM 724 CG LYS A 45 62.420 80.010 30.090 1.00 0.00 C ATOM 725 CD LYS A 45 60.970 79.700 30.460 1.00 0.00 C ATOM 726 CE LYS A 45 59.950 80.120 29.440 1.00 0.00 C ATOM 727 NZ LYS A 45 58.590 79.780 29.770 1.00 0.00 N ATOM 0 H LYS A 45 64.957 78.140 29.650 1.00 0.00 H new ATOM 0 HA LYS A 45 64.863 80.939 30.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 63.274 78.451 31.290 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.099 79.982 32.124 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.541 81.084 29.945 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.668 79.531 29.143 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.875 78.627 30.626 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.739 80.191 31.406 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.017 81.199 29.303 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.203 79.661 28.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.957 80.107 29.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.505 78.748 29.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.325 80.239 30.665 1.00 0.00 H new ATOM 741 N ASP A 46 66.080 78.450 32.360 1.00 0.00 N ATOM 742 CA ASP A 46 67.010 78.190 33.470 1.00 0.00 C ATOM 743 C ASP A 46 68.360 78.780 33.150 1.00 0.00 C ATOM 744 O ASP A 46 68.950 79.350 34.050 1.00 0.00 O ATOM 745 CB ASP A 46 67.170 76.720 33.790 1.00 0.00 C ATOM 746 CG ASP A 46 65.900 76.120 34.360 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.980 76.910 34.720 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.800 74.890 34.390 1.00 0.00 O ATOM 0 H ASP A 46 65.739 77.612 31.889 1.00 0.00 H new ATOM 0 HA ASP A 46 66.579 78.662 34.353 1.00 0.00 H new ATOM 0 HB2 ASP A 46 67.451 76.181 32.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.984 76.591 34.504 1.00 0.00 H new ATOM 753 N MET A 47 68.810 78.740 31.890 1.00 0.00 N ATOM 754 CA MET A 47 70.100 79.320 31.560 1.00 0.00 C ATOM 755 C MET A 47 70.140 80.830 31.770 1.00 0.00 C ATOM 756 O MET A 47 71.090 81.360 32.320 1.00 0.00 O ATOM 757 CB MET A 47 70.450 79.020 30.120 1.00 0.00 C ATOM 758 CG MET A 47 71.840 79.560 29.840 1.00 0.00 C ATOM 759 SD MET A 47 72.170 79.190 28.190 1.00 0.00 S ATOM 760 CE MET A 47 71.160 80.320 27.240 1.00 0.00 C ATOM 0 H MET A 47 68.309 78.322 31.106 1.00 0.00 H new ATOM 0 HA MET A 47 70.826 78.868 32.236 1.00 0.00 H new ATOM 0 HB2 MET A 47 70.417 77.946 29.938 1.00 0.00 H new ATOM 0 HB3 MET A 47 69.723 79.479 29.450 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.883 80.635 30.015 1.00 0.00 H new ATOM 0 HG3 MET A 47 72.577 79.100 30.498 1.00 0.00 H new ATOM 0 HE1 MET A 47 71.457 80.281 26.192 1.00 0.00 H new ATOM 0 HE2 MET A 47 70.112 80.035 27.331 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.294 81.334 27.618 1.00 0.00 H new ATOM 770 N LEU A 48 69.070 81.540 31.370 1.00 0.00 N ATOM 771 CA LEU A 48 68.990 82.980 31.590 1.00 0.00 C ATOM 772 C LEU A 48 69.010 83.300 33.090 1.00 0.00 C ATOM 773 O LEU A 48 69.700 84.220 33.510 1.00 0.00 O ATOM 774 CB LEU A 48 67.730 83.550 30.940 1.00 0.00 C ATOM 775 CG LEU A 48 67.770 83.460 29.420 1.00 0.00 C ATOM 776 CD1 LEU A 48 66.440 83.880 28.840 1.00 0.00 C ATOM 777 CD2 LEU A 48 68.880 84.290 28.830 1.00 0.00 C ATOM 0 H LEU A 48 68.260 81.138 30.898 1.00 0.00 H new ATOM 0 HA LEU A 48 69.860 83.446 31.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.858 83.011 31.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.611 84.592 31.237 1.00 0.00 H new ATOM 0 HG LEU A 48 67.969 82.420 29.160 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.479 83.812 27.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.655 83.224 29.216 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.224 84.908 29.132 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.868 84.194 27.744 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.737 85.335 29.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.839 83.942 29.215 1.00 0.00 H new ATOM 789 N LYS A 49 68.280 82.520 33.890 1.00 0.00 N ATOM 790 CA LYS A 49 68.260 82.700 35.340 1.00 0.00 C ATOM 791 C LYS A 49 69.620 82.390 35.960 1.00 0.00 C ATOM 792 O LYS A 49 69.960 83.060 36.920 1.00 0.00 O ATOM 793 CB LYS A 49 67.210 81.800 35.970 1.00 0.00 C ATOM 794 CG LYS A 49 65.800 82.260 35.610 1.00 0.00 C ATOM 795 CD LYS A 49 64.750 81.360 36.250 1.00 0.00 C ATOM 796 CE LYS A 49 63.340 81.840 35.890 1.00 0.00 C ATOM 797 NZ LYS A 49 62.350 80.970 36.560 1.00 0.00 N ATOM 0 H LYS A 49 67.694 81.756 33.555 1.00 0.00 H new ATOM 0 HA LYS A 49 68.017 83.745 35.535 1.00 0.00 H new ATOM 0 HB2 LYS A 49 67.358 80.774 35.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 67.330 81.800 37.053 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.654 83.288 35.942 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.677 82.254 34.527 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.888 80.333 35.912 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.875 81.359 37.333 1.00 0.00 H new ATOM 0 HE2 LYS A 49 63.204 82.875 36.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 63.197 81.811 34.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.389 81.289 36.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.478 79.988 36.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.485 81.020 37.590 1.00 0.00 H new ATOM 811 N ALA A 50 70.370 81.440 35.410 1.00 0.00 N ATOM 812 CA ALA A 50 71.700 81.160 35.910 1.00 0.00 C ATOM 813 C ALA A 50 72.600 82.360 35.840 1.00 0.00 C ATOM 814 O ALA A 50 73.310 82.640 36.790 1.00 0.00 O ATOM 815 CB ALA A 50 72.320 80.030 35.120 1.00 0.00 C ATOM 0 H ALA A 50 70.077 80.859 34.625 1.00 0.00 H new ATOM 0 HA ALA A 50 71.596 80.879 36.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 73.320 79.825 35.502 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.704 79.136 35.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 72.384 80.313 34.069 1.00 0.00 H new ATOM 821 N VAL A 51 72.510 83.120 34.740 1.00 0.00 N ATOM 822 CA VAL A 51 73.370 84.280 34.620 1.00 0.00 C ATOM 823 C VAL A 51 73.110 85.210 35.810 1.00 0.00 C ATOM 824 O VAL A 51 74.050 85.710 36.440 1.00 0.00 O ATOM 825 CB VAL A 51 73.140 85.010 33.300 1.00 0.00 C ATOM 826 CG1 VAL A 51 74.060 86.230 33.230 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.420 84.110 32.110 1.00 0.00 C ATOM 0 H VAL A 51 71.876 82.955 33.958 1.00 0.00 H new ATOM 0 HA VAL A 51 74.411 83.956 34.627 1.00 0.00 H new ATOM 0 HB VAL A 51 72.094 85.316 33.260 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.898 86.754 32.288 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.839 86.900 34.061 1.00 0.00 H new ATOM 0 HG13 VAL A 51 75.099 85.906 33.291 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.246 84.663 31.187 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.457 83.776 32.143 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.758 83.244 32.145 1.00 0.00 H new ATOM 837 N ASP A 52 71.830 85.430 36.110 1.00 0.00 N ATOM 838 CA ASP A 52 71.430 86.270 37.240 1.00 0.00 C ATOM 839 C ASP A 52 71.890 85.680 38.560 1.00 0.00 C ATOM 840 O ASP A 52 72.470 86.400 39.360 1.00 0.00 O ATOM 841 CB ASP A 52 69.920 86.480 37.270 1.00 0.00 C ATOM 842 CG ASP A 52 69.470 87.360 36.100 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.330 87.990 35.430 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.290 87.350 35.720 1.00 0.00 O ATOM 0 H ASP A 52 71.049 85.037 35.584 1.00 0.00 H new ATOM 0 HA ASP A 52 71.915 87.236 37.102 1.00 0.00 H new ATOM 0 HB2 ASP A 52 69.413 85.516 37.222 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.632 86.945 38.213 1.00 0.00 H new ATOM 849 N PHE A 53 71.720 84.370 38.760 1.00 0.00 N ATOM 850 CA PHE A 53 72.030 83.760 40.040 1.00 0.00 C ATOM 851 C PHE A 53 73.490 83.820 40.390 1.00 0.00 C ATOM 852 O PHE A 53 73.880 84.060 41.540 1.00 0.00 O ATOM 853 CB PHE A 53 71.570 82.320 40.030 1.00 0.00 C ATOM 854 CG PHE A 53 70.130 82.080 39.940 1.00 0.00 C ATOM 855 CD1 PHE A 53 69.280 83.050 40.470 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.620 80.960 39.270 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.930 82.910 40.280 1.00 0.00 C ATOM 858 CE2 PHE A 53 68.250 80.780 39.140 1.00 0.00 C ATOM 859 CZ PHE A 53 67.420 81.810 39.560 1.00 0.00 C ATOM 0 H PHE A 53 71.372 83.722 38.053 1.00 0.00 H new ATOM 0 HA PHE A 53 71.502 84.333 40.803 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.050 81.818 39.190 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.936 81.842 40.938 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.676 83.892 41.018 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.298 80.231 38.852 1.00 0.00 H new ATOM 0 HE1 PHE A 53 67.252 83.647 40.684 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.843 79.869 38.726 1.00 0.00 H new ATOM 0 HZ PHE A 53 66.365 81.768 39.331 1.00 0.00 H new ATOM 869 N PHE A 54 74.300 83.690 39.370 1.00 0.00 N ATOM 870 CA PHE A 54 75.710 83.590 39.560 1.00 0.00 C ATOM 871 C PHE A 54 76.330 84.880 40.070 1.00 0.00 C ATOM 872 O PHE A 54 77.250 84.870 40.860 1.00 0.00 O ATOM 873 CB PHE A 54 76.290 83.200 38.260 1.00 0.00 C ATOM 874 CG PHE A 54 76.030 81.810 37.710 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.740 80.800 38.590 1.00 0.00 C ATOM 876 CD2 PHE A 54 76.090 81.480 36.360 1.00 0.00 C ATOM 877 CE1 PHE A 54 75.360 79.530 38.130 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.780 80.210 35.870 1.00 0.00 C ATOM 879 CZ PHE A 54 75.370 79.230 36.770 1.00 0.00 C ATOM 0 H PHE A 54 73.997 83.652 38.397 1.00 0.00 H new ATOM 0 HA PHE A 54 75.923 82.847 40.329 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.937 83.916 37.518 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.370 83.324 38.334 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.805 80.984 39.652 1.00 0.00 H new ATOM 0 HD2 PHE A 54 76.391 82.243 35.657 1.00 0.00 H new ATOM 0 HE1 PHE A 54 75.056 78.775 38.840 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.857 79.992 34.815 1.00 0.00 H new ATOM 0 HZ PHE A 54 75.065 78.255 36.420 1.00 0.00 H new ATOM 889 N LYS A 55 75.800 86.010 39.620 1.00 0.00 N ATOM 890 CA LYS A 55 76.020 87.370 40.120 1.00 0.00 C ATOM 891 C LYS A 55 75.410 87.620 41.500 1.00 0.00 C ATOM 892 O LYS A 55 76.000 88.360 42.280 1.00 0.00 O ATOM 893 CB LYS A 55 75.390 88.320 39.110 1.00 0.00 C ATOM 894 CG LYS A 55 76.100 88.200 37.760 1.00 0.00 C ATOM 895 CD LYS A 55 75.420 89.090 36.740 1.00 0.00 C ATOM 896 CE LYS A 55 76.150 89.000 35.400 1.00 0.00 C ATOM 897 NZ LYS A 55 75.480 89.870 34.440 1.00 0.00 N ATOM 0 H LYS A 55 75.152 86.003 38.832 1.00 0.00 H new ATOM 0 HA LYS A 55 77.093 87.527 40.234 1.00 0.00 H new ATOM 0 HB2 LYS A 55 74.331 88.090 38.994 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.455 89.345 39.474 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.147 88.484 37.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.083 87.164 37.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.380 88.789 36.618 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.414 90.122 37.092 1.00 0.00 H new ATOM 0 HE2 LYS A 55 77.192 89.299 35.517 1.00 0.00 H new ATOM 0 HE3 LYS A 55 76.152 87.971 35.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.969 89.817 33.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.493 89.564 34.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.500 90.850 34.787 1.00 0.00 H new ATOM 911 N GLU A 56 74.260 87.030 41.790 1.00 0.00 N ATOM 912 CA GLU A 56 73.650 87.140 43.100 1.00 0.00 C ATOM 913 C GLU A 56 74.580 86.640 44.170 1.00 0.00 C ATOM 914 O GLU A 56 74.640 87.300 45.190 1.00 0.00 O ATOM 915 CB GLU A 56 72.350 86.380 43.200 1.00 0.00 C ATOM 916 CG GLU A 56 71.270 87.020 42.340 1.00 0.00 C ATOM 917 CD GLU A 56 69.950 86.270 42.410 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.880 85.260 43.150 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.970 86.740 41.790 1.00 0.00 O ATOM 0 H GLU A 56 73.729 86.466 41.127 1.00 0.00 H new ATOM 0 HA GLU A 56 73.443 88.200 43.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.504 85.348 42.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 72.022 86.351 44.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.117 88.050 42.662 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.609 87.057 41.305 1.00 0.00 H new ATOM 926 N LYS A 57 75.320 85.550 43.920 1.00 0.00 N ATOM 927 CA LYS A 57 76.310 85.010 44.860 1.00 0.00 C ATOM 928 C LYS A 57 77.770 85.110 44.400 1.00 0.00 C ATOM 929 O LYS A 57 78.130 84.750 43.300 1.00 0.00 O ATOM 930 CB LYS A 57 75.950 83.560 45.150 1.00 0.00 C ATOM 931 CG LYS A 57 74.670 83.500 45.990 1.00 0.00 C ATOM 932 CD LYS A 57 74.310 82.050 46.280 1.00 0.00 C ATOM 933 CE LYS A 57 73.030 81.970 47.110 1.00 0.00 C ATOM 934 NZ LYS A 57 72.680 80.590 47.510 1.00 0.00 N ATOM 0 H LYS A 57 75.247 85.016 43.054 1.00 0.00 H new ATOM 0 HA LYS A 57 76.261 85.630 45.755 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.808 83.017 44.215 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.767 83.072 45.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.812 84.043 46.925 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.853 83.988 45.459 1.00 0.00 H new ATOM 0 HD2 LYS A 57 74.177 81.508 45.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 75.128 81.567 46.815 1.00 0.00 H new ATOM 0 HE2 LYS A 57 73.146 82.582 48.004 1.00 0.00 H new ATOM 0 HE3 LYS A 57 72.206 82.395 46.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 71.753 80.338 47.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 73.401 79.931 47.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 72.639 80.529 48.547 1.00 0.00 H new ATOM 948 N GLY A 58 78.670 85.440 45.320 1.00 0.00 N ATOM 949 CA GLY A 58 80.130 85.500 45.080 1.00 0.00 C ATOM 950 C GLY A 58 81.060 84.250 45.210 1.00 0.00 C ATOM 951 O GLY A 58 82.170 84.390 45.710 1.00 0.00 O ATOM 0 H GLY A 58 78.412 85.680 46.277 1.00 0.00 H new ATOM 0 HA2 GLY A 58 80.263 85.882 44.068 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.526 86.254 45.760 1.00 0.00 H new ATOM 955 N HIS A 59 80.710 83.020 44.840 1.00 0.00 N ATOM 956 CA HIS A 59 81.660 81.860 44.960 1.00 0.00 C ATOM 957 C HIS A 59 82.470 81.600 43.670 1.00 0.00 C ATOM 958 O HIS A 59 83.640 81.200 43.670 1.00 0.00 O ATOM 959 CB HIS A 59 80.850 80.600 45.280 1.00 0.00 C ATOM 960 CG HIS A 59 80.150 80.620 46.610 1.00 0.00 C ATOM 961 ND1 HIS A 59 80.830 80.530 47.820 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.820 80.810 46.850 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.880 80.690 48.740 1.00 0.00 C ATOM 964 NE2 HIS A 59 78.660 80.750 48.200 1.00 0.00 N ATOM 0 H HIS A 59 79.796 82.779 44.458 1.00 0.00 H new ATOM 0 HA HIS A 59 82.371 82.106 45.749 1.00 0.00 H new ATOM 0 HB2 HIS A 59 80.106 80.455 44.496 1.00 0.00 H new ATOM 0 HB3 HIS A 59 81.518 79.739 45.250 1.00 0.00 H new ATOM 0 HD2 HIS A 59 78.047 80.975 46.114 1.00 0.00 H new ATOM 0 HE1 HIS A 59 80.074 80.763 49.800 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.774 80.751 48.705 1.00 0.00 H new ATOM 972 N THR A 60 81.820 81.830 42.530 1.00 0.00 N ATOM 973 CA THR A 60 82.460 81.710 41.230 1.00 0.00 C ATOM 974 C THR A 60 83.520 82.800 41.140 1.00 0.00 C ATOM 975 O THR A 60 83.400 83.870 41.740 1.00 0.00 O ATOM 976 CB THR A 60 81.470 81.830 40.050 1.00 0.00 C ATOM 977 OG1 THR A 60 82.130 81.470 38.860 1.00 0.00 O ATOM 978 CG2 THR A 60 80.970 83.260 39.870 1.00 0.00 C ATOM 0 H THR A 60 80.838 82.104 42.486 1.00 0.00 H new ATOM 0 HA THR A 60 82.897 80.715 41.149 1.00 0.00 H new ATOM 0 HB THR A 60 80.624 81.177 40.266 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.945 80.970 39.076 1.00 0.00 H new ATOM 0 HG21 THR A 60 80.277 83.300 39.030 1.00 0.00 H new ATOM 0 HG22 THR A 60 80.460 83.584 40.777 1.00 0.00 H new ATOM 0 HG23 THR A 60 81.816 83.919 39.674 1.00 0.00 H new ATOM 986 N ALA A 61 84.560 82.490 40.380 1.00 0.00 N ATOM 987 CA ALA A 61 85.550 83.440 39.940 1.00 0.00 C ATOM 988 C ALA A 61 85.000 84.150 38.700 1.00 0.00 C ATOM 989 O ALA A 61 85.070 85.380 38.620 1.00 0.00 O ATOM 990 CB ALA A 61 86.840 82.690 39.600 1.00 0.00 C ATOM 0 H ALA A 61 84.736 81.542 40.047 1.00 0.00 H new ATOM 0 HA ALA A 61 85.767 84.173 40.717 1.00 0.00 H new ATOM 0 HB1 ALA A 61 87.596 83.400 39.266 1.00 0.00 H new ATOM 0 HB2 ALA A 61 87.200 82.166 40.485 1.00 0.00 H new ATOM 0 HB3 ALA A 61 86.643 81.969 38.807 1.00 0.00 H new ATOM 996 N TYR A 62 84.460 83.370 37.760 1.00 0.00 N ATOM 997 CA TYR A 62 84.080 83.840 36.430 1.00 0.00 C ATOM 998 C TYR A 62 83.030 82.980 35.720 1.00 0.00 C ATOM 999 O TYR A 62 82.960 81.770 35.910 1.00 0.00 O ATOM 1000 CB TYR A 62 85.360 83.900 35.600 1.00 0.00 C ATOM 1001 CG TYR A 62 85.150 84.420 34.210 1.00 0.00 C ATOM 1002 CD1 TYR A 62 84.960 85.780 33.990 1.00 0.00 C ATOM 1003 CD2 TYR A 62 85.180 83.530 33.120 1.00 0.00 C ATOM 1004 CE1 TYR A 62 84.880 86.250 32.680 1.00 0.00 C ATOM 1005 CE2 TYR A 62 84.980 84.020 31.820 1.00 0.00 C ATOM 1006 CZ TYR A 62 84.720 85.380 31.600 1.00 0.00 C ATOM 1007 OH TYR A 62 84.490 85.900 30.370 1.00 0.00 O ATOM 0 H TYR A 62 84.272 82.378 37.907 1.00 0.00 H new ATOM 0 HA TYR A 62 83.603 84.814 36.542 1.00 0.00 H new ATOM 0 HB2 TYR A 62 86.085 84.534 36.111 1.00 0.00 H new ATOM 0 HB3 TYR A 62 85.794 82.902 35.544 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.876 86.463 34.823 1.00 0.00 H new ATOM 0 HD2 TYR A 62 85.356 82.477 33.283 1.00 0.00 H new ATOM 0 HE1 TYR A 62 84.943 87.312 32.496 1.00 0.00 H new ATOM 0 HE2 TYR A 62 85.027 83.342 30.980 1.00 0.00 H new ATOM 0 HH TYR A 62 84.353 85.173 29.728 1.00 0.00 H new ATOM 1017 N LEU A 63 82.270 83.590 34.800 1.00 0.00 N ATOM 1018 CA LEU A 63 81.320 82.910 33.910 1.00 0.00 C ATOM 1019 C LEU A 63 81.520 83.300 32.460 1.00 0.00 C ATOM 1020 O LEU A 63 81.610 84.480 32.160 1.00 0.00 O ATOM 1021 CB LEU A 63 79.890 83.260 34.320 1.00 0.00 C ATOM 1022 CG LEU A 63 78.810 82.690 33.390 1.00 0.00 C ATOM 1023 CD1 LEU A 63 78.850 81.190 33.410 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.390 83.080 33.740 1.00 0.00 C ATOM 0 H LEU A 63 82.300 84.599 34.651 1.00 0.00 H new ATOM 0 HA LEU A 63 81.497 81.839 34.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.714 82.892 35.331 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.789 84.345 34.353 1.00 0.00 H new ATOM 0 HG LEU A 63 79.048 83.115 32.415 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.080 80.797 32.747 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.828 80.848 33.073 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.671 80.835 34.425 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.702 82.628 33.025 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.153 82.728 34.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 77.291 84.165 33.703 1.00 0.00 H new ATOM 1036 N ASP A 64 81.470 82.320 31.560 1.00 0.00 N ATOM 1037 CA ASP A 64 81.330 82.580 30.140 1.00 0.00 C ATOM 1038 C ASP A 64 80.590 81.470 29.410 1.00 0.00 C ATOM 1039 O ASP A 64 80.170 80.500 30.040 1.00 0.00 O ATOM 1040 CB ASP A 64 82.700 82.710 29.550 1.00 0.00 C ATOM 1041 CG ASP A 64 82.700 83.630 28.330 1.00 0.00 C ATOM 1042 OD1 ASP A 64 81.590 83.830 27.770 1.00 0.00 O ATOM 1043 OD2 ASP A 64 83.750 84.170 27.920 1.00 0.00 O ATOM 0 H ASP A 64 81.526 81.330 31.799 1.00 0.00 H new ATOM 0 HA ASP A 64 80.747 83.494 30.023 1.00 0.00 H new ATOM 0 HB2 ASP A 64 83.385 83.101 30.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 83.069 81.725 29.264 1.00 0.00 H new ATOM 1048 N GLU A 65 80.370 81.540 28.100 1.00 0.00 N ATOM 1049 CA GLU A 65 79.620 80.480 27.450 1.00 0.00 C ATOM 1050 C GLU A 65 80.480 79.290 27.120 1.00 0.00 C ATOM 1051 O GLU A 65 81.690 79.460 27.160 1.00 0.00 O ATOM 1052 CB GLU A 65 78.970 80.980 26.190 1.00 0.00 C ATOM 1053 CG GLU A 65 77.860 81.950 26.540 1.00 0.00 C ATOM 1054 CD GLU A 65 77.240 82.480 25.270 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.690 82.110 24.180 1.00 0.00 O ATOM 1056 OE2 GLU A 65 76.170 83.160 25.390 1.00 0.00 O ATOM 0 H GLU A 65 80.689 82.292 27.489 1.00 0.00 H new ATOM 0 HA GLU A 65 78.856 80.163 28.160 1.00 0.00 H new ATOM 0 HB2 GLU A 65 79.710 81.471 25.558 1.00 0.00 H new ATOM 0 HB3 GLU A 65 78.568 80.143 25.619 1.00 0.00 H new ATOM 0 HG2 GLU A 65 77.104 81.451 27.147 1.00 0.00 H new ATOM 0 HG3 GLU A 65 78.255 82.773 27.136 1.00 0.00 H new ATOM 1063 N VAL A 66 80.050 78.140 26.710 1.00 0.00 N ATOM 1064 CA VAL A 66 80.820 77.400 25.710 1.00 0.00 C ATOM 1065 C VAL A 66 80.600 77.990 24.300 1.00 0.00 C ATOM 1066 O VAL A 66 79.680 78.700 23.980 1.00 0.00 O ATOM 1067 CB VAL A 66 80.530 75.920 25.740 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.820 75.290 27.090 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.110 75.680 25.300 1.00 0.00 C ATOM 0 H VAL A 66 79.195 77.685 27.030 1.00 0.00 H new ATOM 0 HA VAL A 66 81.873 77.514 25.967 1.00 0.00 H new ATOM 0 HB VAL A 66 81.207 75.428 25.042 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.592 74.225 27.051 1.00 0.00 H new ATOM 0 HG12 VAL A 66 81.873 75.427 27.337 1.00 0.00 H new ATOM 0 HG13 VAL A 66 80.203 75.765 27.853 1.00 0.00 H new ATOM 0 HG21 VAL A 66 78.898 74.611 25.321 1.00 0.00 H new ATOM 0 HG22 VAL A 66 78.428 76.198 25.974 1.00 0.00 H new ATOM 0 HG23 VAL A 66 78.975 76.057 24.286 1.00 0.00 H new ATOM 1079 N ARG A 67 81.480 77.530 23.430 1.00 0.00 N ATOM 1080 CA ARG A 67 81.510 77.620 21.980 1.00 0.00 C ATOM 1081 C ARG A 67 80.470 76.760 21.230 1.00 0.00 C ATOM 1082 O ARG A 67 80.000 77.080 20.140 1.00 0.00 O ATOM 1083 CB ARG A 67 82.900 77.170 21.590 1.00 0.00 C ATOM 1084 CG ARG A 67 83.990 78.140 21.970 1.00 0.00 C ATOM 1085 CD ARG A 67 85.370 77.630 21.580 1.00 0.00 C ATOM 1086 NE ARG A 67 86.380 78.630 21.940 1.00 0.00 N ATOM 1087 CZ ARG A 67 86.660 79.660 21.190 1.00 0.00 C ATOM 1088 NH1 ARG A 67 86.040 79.870 20.050 1.00 0.00 N ATOM 1089 NH2 ARG A 67 87.620 80.460 21.530 1.00 0.00 N ATOM 0 H ARG A 67 82.296 77.019 23.767 1.00 0.00 H new ATOM 0 HA ARG A 67 81.259 78.642 21.697 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.104 76.208 22.060 1.00 0.00 H new ATOM 0 HB3 ARG A 67 82.930 77.011 20.512 1.00 0.00 H new ATOM 0 HG2 ARG A 67 83.807 79.099 21.484 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.959 78.316 23.045 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.578 76.688 22.088 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.406 77.430 20.509 1.00 0.00 H new ATOM 0 HE ARG A 67 86.887 78.515 22.817 1.00 0.00 H new ATOM 0 HH11 ARG A 67 85.321 79.220 19.733 1.00 0.00 H new ATOM 0 HH12 ARG A 67 86.278 80.683 19.482 1.00 0.00 H new ATOM 0 HH21 ARG A 67 88.154 80.283 22.381 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.842 81.267 20.947 1.00 0.00 H new ATOM 1103 N VAL A 68 80.140 75.580 21.750 1.00 0.00 N ATOM 1104 CA VAL A 68 79.020 74.770 21.240 1.00 0.00 C ATOM 1105 C VAL A 68 77.690 75.270 21.800 1.00 0.00 C ATOM 1106 O VAL A 68 76.650 74.820 21.360 1.00 0.00 O ATOM 1107 CB VAL A 68 79.210 73.270 21.470 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.480 72.760 20.820 1.00 0.00 C ATOM 1109 CG2 VAL A 68 79.420 72.980 22.960 1.00 0.00 C ATOM 0 H VAL A 68 80.635 75.154 22.534 1.00 0.00 H new ATOM 0 HA VAL A 68 79.003 74.900 20.158 1.00 0.00 H new ATOM 0 HB VAL A 68 78.320 72.794 21.059 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.580 71.691 21.006 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.436 72.939 19.746 1.00 0.00 H new ATOM 0 HG13 VAL A 68 81.339 73.283 21.240 1.00 0.00 H new ATOM 0 HG21 VAL A 68 79.554 71.908 23.107 1.00 0.00 H new ATOM 0 HG22 VAL A 68 80.306 73.508 23.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 78.550 73.317 23.523 1.00 0.00 H new ATOM 1119 N SER A 69 77.670 76.270 22.680 1.00 0.00 N ATOM 1120 CA SER A 69 76.640 77.290 22.590 1.00 0.00 C ATOM 1121 C SER A 69 76.880 78.300 21.470 1.00 0.00 C ATOM 1122 O SER A 69 76.780 79.500 21.660 1.00 0.00 O ATOM 1123 CB SER A 69 76.410 78.010 23.910 1.00 0.00 C ATOM 1124 OG SER A 69 75.960 77.100 24.890 1.00 0.00 O ATOM 0 H SER A 69 78.338 76.391 23.442 1.00 0.00 H new ATOM 0 HA SER A 69 75.732 76.741 22.341 1.00 0.00 H new ATOM 0 HB2 SER A 69 77.335 78.483 24.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.675 78.804 23.776 1.00 0.00 H new ATOM 0 HG SER A 69 75.817 77.574 25.736 1.00 0.00 H new ATOM 1130 N THR A 70 77.190 77.830 20.260 1.00 0.00 N ATOM 1131 CA THR A 70 76.540 78.290 19.020 1.00 0.00 C ATOM 1132 C THR A 70 75.490 77.230 18.700 1.00 0.00 C ATOM 1133 O THR A 70 74.290 77.480 18.800 1.00 0.00 O ATOM 1134 CB THR A 70 77.510 78.450 17.830 1.00 0.00 C ATOM 1135 OG1 THR A 70 78.180 77.250 17.520 1.00 0.00 O ATOM 1136 CG2 THR A 70 78.640 79.440 18.040 1.00 0.00 C ATOM 0 H THR A 70 77.902 77.116 20.107 1.00 0.00 H new ATOM 0 HA THR A 70 76.120 79.284 19.173 1.00 0.00 H new ATOM 0 HB THR A 70 76.836 78.795 17.046 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.643 76.729 16.887 1.00 0.00 H new ATOM 0 HG21 THR A 70 79.262 79.477 17.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 78.226 80.429 18.235 1.00 0.00 H new ATOM 0 HG23 THR A 70 79.245 79.126 18.891 1.00 0.00 H new ATOM 1144 N ASP A 71 75.950 75.990 18.580 1.00 0.00 N ATOM 1145 CA ASP A 71 75.350 74.880 17.870 1.00 0.00 C ATOM 1146 C ASP A 71 74.120 74.360 18.570 1.00 0.00 C ATOM 1147 O ASP A 71 73.130 74.040 17.910 1.00 0.00 O ATOM 1148 CB ASP A 71 76.400 73.770 17.760 1.00 0.00 C ATOM 1149 CG ASP A 71 77.500 74.140 16.760 1.00 0.00 C ATOM 1150 OD1 ASP A 71 77.240 75.070 15.960 1.00 0.00 O ATOM 1151 OD2 ASP A 71 78.570 73.540 16.760 1.00 0.00 O ATOM 0 H ASP A 71 76.830 75.718 19.018 1.00 0.00 H new ATOM 0 HA ASP A 71 75.033 75.218 16.884 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.843 73.587 18.739 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.920 72.842 17.449 1.00 0.00 H new ATOM 1156 N GLU A 72 74.180 74.330 19.900 1.00 0.00 N ATOM 1157 CA GLU A 72 73.210 73.660 20.760 1.00 0.00 C ATOM 1158 C GLU A 72 72.700 74.540 21.880 1.00 0.00 C ATOM 1159 O GLU A 72 71.600 74.350 22.380 1.00 0.00 O ATOM 1160 CB GLU A 72 73.840 72.430 21.400 1.00 0.00 C ATOM 1161 CG GLU A 72 74.160 71.400 20.350 1.00 0.00 C ATOM 1162 CD GLU A 72 74.730 70.110 20.950 1.00 0.00 C ATOM 1163 OE1 GLU A 72 75.150 70.140 22.120 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.940 69.120 20.210 1.00 0.00 O ATOM 0 H GLU A 72 74.928 74.785 20.423 1.00 0.00 H new ATOM 0 HA GLU A 72 72.372 73.396 20.114 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.749 72.713 21.930 1.00 0.00 H new ATOM 0 HB3 GLU A 72 73.159 72.007 22.138 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.256 71.167 19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.878 71.817 19.643 1.00 0.00 H new ATOM 1171 N LYS A 73 73.500 75.550 22.210 1.00 0.00 N ATOM 1172 CA LYS A 73 73.190 76.530 23.220 1.00 0.00 C ATOM 1173 C LYS A 73 72.890 75.930 24.580 1.00 0.00 C ATOM 1174 O LYS A 73 71.890 76.380 25.110 1.00 0.00 O ATOM 1175 CB LYS A 73 72.020 77.380 22.710 1.00 0.00 C ATOM 1176 CG LYS A 73 72.440 78.220 21.530 1.00 0.00 C ATOM 1177 CD LYS A 73 71.200 78.960 21.020 1.00 0.00 C ATOM 1178 CE LYS A 73 71.600 79.840 19.890 1.00 0.00 C ATOM 1179 NZ LYS A 73 70.500 80.630 19.340 1.00 0.00 N ATOM 0 H LYS A 73 74.404 75.704 21.764 1.00 0.00 H new ATOM 0 HA LYS A 73 74.073 77.148 23.382 1.00 0.00 H new ATOM 0 HB2 LYS A 73 71.192 76.732 22.424 1.00 0.00 H new ATOM 0 HB3 LYS A 73 71.658 78.025 23.510 1.00 0.00 H new ATOM 0 HG2 LYS A 73 73.215 78.929 21.822 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.861 77.593 20.744 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.442 78.247 20.694 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.757 79.552 21.821 1.00 0.00 H new ATOM 0 HE2 LYS A 73 72.386 80.515 20.228 1.00 0.00 H new ATOM 0 HE3 LYS A 73 72.026 79.226 19.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.852 81.218 18.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 69.758 79.993 18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 70.107 81.242 20.083 1.00 0.00 H new ATOM 1193 N ASP A 74 73.720 75.040 25.130 1.00 0.00 N ATOM 1194 CA ASP A 74 73.390 74.290 26.350 1.00 0.00 C ATOM 1195 C ASP A 74 74.270 74.520 27.540 1.00 0.00 C ATOM 1196 O ASP A 74 73.780 74.530 28.670 1.00 0.00 O ATOM 1197 CB ASP A 74 73.360 72.790 26.070 1.00 0.00 C ATOM 1198 CG ASP A 74 72.120 72.500 25.270 1.00 0.00 C ATOM 1199 OD1 ASP A 74 71.190 73.320 25.490 1.00 0.00 O ATOM 1200 OD2 ASP A 74 72.080 71.440 24.620 1.00 0.00 O ATOM 0 H ASP A 74 74.638 74.818 24.745 1.00 0.00 H new ATOM 0 HA ASP A 74 72.411 74.684 26.621 1.00 0.00 H new ATOM 0 HB2 ASP A 74 74.250 72.486 25.520 1.00 0.00 H new ATOM 0 HB3 ASP A 74 73.354 72.227 27.003 1.00 0.00 H new ATOM 1205 N PHE A 75 75.570 74.640 27.290 1.00 0.00 N ATOM 1206 CA PHE A 75 76.530 74.690 28.350 1.00 0.00 C ATOM 1207 C PHE A 75 77.100 76.080 28.550 1.00 0.00 C ATOM 1208 O PHE A 75 77.680 76.660 27.640 1.00 0.00 O ATOM 1209 CB PHE A 75 77.640 73.670 28.140 1.00 0.00 C ATOM 1210 CG PHE A 75 77.140 72.260 28.240 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.720 71.590 27.100 1.00 0.00 C ATOM 1212 CD2 PHE A 75 77.310 71.500 29.390 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.380 70.240 27.210 1.00 0.00 C ATOM 1214 CE2 PHE A 75 76.950 70.180 29.500 1.00 0.00 C ATOM 1215 CZ PHE A 75 76.460 69.530 28.400 1.00 0.00 C ATOM 0 H PHE A 75 75.969 74.704 26.353 1.00 0.00 H new ATOM 0 HA PHE A 75 75.998 74.430 29.265 1.00 0.00 H new ATOM 0 HB2 PHE A 75 78.093 73.825 27.161 1.00 0.00 H new ATOM 0 HB3 PHE A 75 78.423 73.830 28.882 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.657 72.100 26.150 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.753 71.977 30.251 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.038 69.723 26.326 1.00 0.00 H new ATOM 0 HE2 PHE A 75 77.052 69.661 30.442 1.00 0.00 H new ATOM 0 HZ PHE A 75 76.146 68.498 28.456 1.00 0.00 H new ATOM 1225 N LEU A 76 76.960 76.630 29.740 1.00 0.00 N ATOM 1226 CA LEU A 76 77.820 77.700 30.240 1.00 0.00 C ATOM 1227 C LEU A 76 79.060 77.140 30.930 1.00 0.00 C ATOM 1228 O LEU A 76 78.970 76.090 31.570 1.00 0.00 O ATOM 1229 CB LEU A 76 76.990 78.530 31.210 1.00 0.00 C ATOM 1230 CG LEU A 76 75.810 79.230 30.570 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.930 79.870 31.630 1.00 0.00 C ATOM 1232 CD2 LEU A 76 76.310 80.320 29.620 1.00 0.00 C ATOM 0 H LEU A 76 76.237 76.346 30.401 1.00 0.00 H new ATOM 0 HA LEU A 76 78.175 78.314 29.413 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.626 77.882 32.007 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.633 79.277 31.675 1.00 0.00 H new ATOM 0 HG LEU A 76 75.229 78.490 30.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 74.087 80.368 31.151 1.00 0.00 H new ATOM 0 HD12 LEU A 76 74.559 79.101 32.308 1.00 0.00 H new ATOM 0 HD13 LEU A 76 75.511 80.600 32.193 1.00 0.00 H new ATOM 0 HD21 LEU A 76 75.458 80.822 29.161 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.901 81.046 30.178 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.928 79.870 28.843 1.00 0.00 H new ATOM 1244 N TYR A 77 80.200 77.820 30.830 1.00 0.00 N ATOM 1245 CA TYR A 77 81.410 77.440 31.520 1.00 0.00 C ATOM 1246 C TYR A 77 81.710 78.410 32.660 1.00 0.00 C ATOM 1247 O TYR A 77 82.040 79.570 32.440 1.00 0.00 O ATOM 1248 CB TYR A 77 82.570 77.380 30.560 1.00 0.00 C ATOM 1249 CG TYR A 77 83.800 76.880 31.290 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.770 75.650 31.990 1.00 0.00 C ATOM 1251 CD2 TYR A 77 85.020 77.580 31.180 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.950 75.100 32.520 1.00 0.00 C ATOM 1253 CE2 TYR A 77 86.190 77.050 31.740 1.00 0.00 C ATOM 1254 CZ TYR A 77 86.160 75.810 32.410 1.00 0.00 C ATOM 1255 OH TYR A 77 87.300 75.310 32.940 1.00 0.00 O ATOM 0 H TYR A 77 80.301 78.659 30.258 1.00 0.00 H new ATOM 0 HA TYR A 77 81.262 76.448 31.946 1.00 0.00 H new ATOM 0 HB2 TYR A 77 82.333 76.718 29.727 1.00 0.00 H new ATOM 0 HB3 TYR A 77 82.759 78.367 30.139 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.832 75.130 32.118 1.00 0.00 H new ATOM 0 HD2 TYR A 77 85.052 78.527 30.663 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.928 74.137 33.009 1.00 0.00 H new ATOM 0 HE2 TYR A 77 87.119 77.594 31.658 1.00 0.00 H new ATOM 0 HH TYR A 77 88.039 75.931 32.770 1.00 0.00 H new ATOM 1265 N GLU A 78 81.610 77.900 33.890 1.00 0.00 N ATOM 1266 CA GLU A 78 81.720 78.730 35.100 1.00 0.00 C ATOM 1267 C GLU A 78 82.760 78.190 36.080 1.00 0.00 C ATOM 1268 O GLU A 78 82.740 77.020 36.430 1.00 0.00 O ATOM 1269 CB GLU A 78 80.390 78.780 35.830 1.00 0.00 C ATOM 1270 CG GLU A 78 80.400 79.620 37.100 1.00 0.00 C ATOM 1271 CD GLU A 78 79.150 79.370 37.940 1.00 0.00 C ATOM 1272 OE1 GLU A 78 78.230 78.670 37.460 1.00 0.00 O ATOM 1273 OE2 GLU A 78 79.160 79.820 39.100 1.00 0.00 O ATOM 0 H GLU A 78 81.452 76.910 34.078 1.00 0.00 H new ATOM 0 HA GLU A 78 82.023 79.722 34.764 1.00 0.00 H new ATOM 0 HB2 GLU A 78 79.633 79.176 35.153 1.00 0.00 H new ATOM 0 HB3 GLU A 78 80.090 77.763 36.084 1.00 0.00 H new ATOM 0 HG2 GLU A 78 81.288 79.385 37.687 1.00 0.00 H new ATOM 0 HG3 GLU A 78 80.460 80.677 36.839 1.00 0.00 H new ATOM 1280 N LEU A 79 83.680 79.030 36.560 1.00 0.00 N ATOM 1281 CA LEU A 79 84.870 78.510 37.220 1.00 0.00 C ATOM 1282 C LEU A 79 84.850 79.070 38.600 1.00 0.00 C ATOM 1283 O LEU A 79 84.540 80.240 38.780 1.00 0.00 O ATOM 1284 CB LEU A 79 86.180 78.880 36.520 1.00 0.00 C ATOM 1285 CG LEU A 79 86.230 78.480 35.040 1.00 0.00 C ATOM 1286 CD1 LEU A 79 85.190 79.250 34.230 1.00 0.00 C ATOM 1287 CD2 LEU A 79 87.600 78.810 34.460 1.00 0.00 C ATOM 0 H LEU A 79 83.624 80.047 36.505 1.00 0.00 H new ATOM 0 HA LEU A 79 84.841 77.421 37.202 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.332 79.956 36.600 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.008 78.401 37.043 1.00 0.00 H new ATOM 0 HG LEU A 79 86.028 77.410 34.982 1.00 0.00 H new ATOM 0 HD11 LEU A 79 85.247 78.948 33.184 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.194 79.034 34.617 1.00 0.00 H new ATOM 0 HD13 LEU A 79 85.386 80.319 34.310 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.629 78.523 33.409 1.00 0.00 H new ATOM 0 HD22 LEU A 79 87.785 79.881 34.549 1.00 0.00 H new ATOM 0 HD23 LEU A 79 88.368 78.262 35.006 1.00 0.00 H new ATOM 1299 N HIS A 80 85.170 78.250 39.570 1.00 0.00 N ATOM 1300 CA HIS A 80 84.970 78.500 40.980 1.00 0.00 C ATOM 1301 C HIS A 80 86.320 78.700 41.600 1.00 0.00 C ATOM 1302 O HIS A 80 87.150 77.800 41.420 1.00 0.00 O ATOM 1303 CB HIS A 80 84.270 77.320 41.640 1.00 0.00 C ATOM 1304 CG HIS A 80 82.850 77.120 41.190 1.00 0.00 C ATOM 1305 ND1 HIS A 80 82.030 76.140 41.710 1.00 0.00 N ATOM 1306 CD2 HIS A 80 82.150 77.820 40.250 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.870 76.240 41.060 1.00 0.00 C ATOM 1308 NE2 HIS A 80 80.910 77.260 40.180 1.00 0.00 N ATOM 0 H HIS A 80 85.599 77.342 39.390 1.00 0.00 H new ATOM 0 HA HIS A 80 84.343 79.381 41.119 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.837 76.412 41.433 1.00 0.00 H new ATOM 0 HB3 HIS A 80 84.281 77.463 42.721 1.00 0.00 H new ATOM 0 HD1 HIS A 80 82.264 75.472 42.445 1.00 0.00 H new ATOM 0 HD2 HIS A 80 82.511 78.658 39.672 1.00 0.00 H new ATOM 0 HE1 HIS A 80 80.018 75.595 41.217 1.00 0.00 H new ATOM 1316 N ILE A 81 86.590 79.850 42.200 1.00 0.00 N ATOM 1317 CA ILE A 81 87.990 80.200 42.500 1.00 0.00 C ATOM 1318 C ILE A 81 89.000 80.260 41.290 1.00 0.00 C ATOM 1319 O ILE A 81 89.850 81.150 41.320 1.00 0.00 O ATOM 1320 CB ILE A 81 88.480 79.210 43.590 1.00 0.00 C ATOM 1321 CG1 ILE A 81 87.730 79.390 44.900 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.980 79.350 43.810 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.990 78.250 45.890 1.00 0.00 C ATOM 0 H ILE A 81 85.895 80.540 42.484 1.00 0.00 H new ATOM 0 HA ILE A 81 87.982 81.238 42.833 1.00 0.00 H new ATOM 0 HB ILE A 81 88.271 78.203 43.229 1.00 0.00 H new ATOM 0 HG12 ILE A 81 88.024 80.336 45.355 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.661 79.453 44.697 1.00 0.00 H new ATOM 0 HG21 ILE A 81 90.302 78.647 44.578 1.00 0.00 H new ATOM 0 HG22 ILE A 81 90.506 79.137 42.879 1.00 0.00 H new ATOM 0 HG23 ILE A 81 90.207 80.367 44.130 1.00 0.00 H new ATOM 0 HD11 ILE A 81 87.430 78.430 46.808 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.671 77.306 45.449 1.00 0.00 H new ATOM 0 HD13 ILE A 81 89.055 78.202 46.118 1.00 0.00 H new ATOM 1335 N ILE A 82 88.900 79.460 40.200 1.00 0.00 N ATOM 1336 CA ILE A 82 89.960 79.270 39.160 1.00 0.00 C ATOM 1337 C ILE A 82 91.330 78.860 39.750 1.00 0.00 C ATOM 1338 O ILE A 82 92.250 78.670 38.960 1.00 0.00 O ATOM 1339 CB ILE A 82 90.070 80.550 38.290 1.00 0.00 C ATOM 1340 CG1 ILE A 82 88.790 80.760 37.500 1.00 0.00 C ATOM 1341 CG2 ILE A 82 91.220 80.530 37.280 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.730 82.140 36.910 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.530 78.640 40.960 1.00 0.00 O ATOM 0 H ILE A 82 88.061 78.912 40.008 1.00 0.00 H new ATOM 0 HA ILE A 82 89.657 78.432 38.532 1.00 0.00 H new ATOM 0 HB ILE A 82 90.257 81.354 39.002 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.727 80.019 36.703 1.00 0.00 H new ATOM 0 HG13 ILE A 82 87.929 80.603 38.150 1.00 0.00 H new ATOM 0 HG21 ILE A 82 91.224 81.462 36.714 1.00 0.00 H new ATOM 0 HG22 ILE A 82 92.167 80.423 37.809 1.00 0.00 H new ATOM 0 HG23 ILE A 82 91.089 79.691 36.596 1.00 0.00 H new ATOM 0 HD11 ILE A 82 87.801 82.257 36.351 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.768 82.880 37.710 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.577 82.286 36.240 1.00 0.00 H new TER 1355 ILE A 82