USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=21 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 15:sc= 0.52 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -4.31! C(o=-3.8!,f=-3.3!) USER MOD Set 2.1: A 34 SER OG : rot 164:sc= 0.866 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.76 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= 0 X(o=0,f=-0.061) USER MOD Single : A 3 MET CE :methyl 167:sc= -0.0106 (180deg=-0.262) 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= -0.701 K(o=-0.7,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -0.0795 (180deg=-1.09) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00737 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 120:sc= 0.00235 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.2) USER MOD Single : A 29 SER OG : rot -30:sc= 0.948 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 170:sc= 0 USER MOD Single : A 41 THR OG1 : rot -100:sc= 0.175 USER MOD Single : A 42 ASN : amide:sc= -0.142 K(o=-0.14,f=-3.8!) USER MOD Single : A 44 HIS : no HD1:sc= -2.25! K(o=-2.3!,f=-1.6) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -128:sc= -0.0481 (180deg=-1.93) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -0.0889 (180deg=-0.185) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -128:sc= -0.379 (180deg=-2.69!) USER MOD Single : A 59 HIS : no HD1:sc= -5.65! C(o=-5.7!,f=-5.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -175:sc= -3.96! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 132:sc= 0.265 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 84.140 59.500 35.930 1.00 0.00 N ATOM 2 CA SER A 1 83.080 59.800 36.900 1.00 0.00 C ATOM 3 C SER A 1 82.480 61.150 36.660 1.00 0.00 C ATOM 4 O SER A 1 83.280 62.100 36.670 1.00 0.00 O ATOM 5 CB SER A 1 83.630 59.750 38.320 1.00 0.00 C ATOM 6 OG SER A 1 82.620 60.060 39.240 1.00 0.00 O ATOM 0 H1 SER A 1 84.533 58.557 36.126 1.00 0.00 H new ATOM 0 H2 SER A 1 83.745 59.517 34.968 1.00 0.00 H new ATOM 0 H3 SER A 1 84.894 60.212 36.008 1.00 0.00 H new ATOM 0 HA SER A 1 82.305 59.044 36.774 1.00 0.00 H new ATOM 0 HB2 SER A 1 84.030 58.758 38.528 1.00 0.00 H new ATOM 0 HB3 SER A 1 84.455 60.455 38.423 1.00 0.00 H new ATOM 0 HG SER A 1 82.983 60.024 40.149 1.00 0.00 H new ATOM 14 N HIS A 2 81.200 61.250 36.470 1.00 0.00 N ATOM 15 CA HIS A 2 80.640 62.580 36.360 1.00 0.00 C ATOM 16 C HIS A 2 79.970 63.120 37.560 1.00 0.00 C ATOM 17 O HIS A 2 78.850 62.700 37.780 1.00 0.00 O ATOM 18 CB HIS A 2 79.790 62.650 35.110 1.00 0.00 C ATOM 19 CG HIS A 2 80.640 62.630 33.880 1.00 0.00 C ATOM 20 ND1 HIS A 2 81.500 63.630 33.530 1.00 0.00 N ATOM 21 CD2 HIS A 2 80.770 61.680 32.920 1.00 0.00 C ATOM 22 CE1 HIS A 2 82.080 63.260 32.380 1.00 0.00 C ATOM 23 NE2 HIS A 2 81.670 62.070 32.000 1.00 0.00 N ATOM 0 H HIS A 2 80.543 60.474 36.390 1.00 0.00 H new ATOM 0 HA HIS A 2 81.486 63.262 36.276 1.00 0.00 H new ATOM 0 HB2 HIS A 2 79.096 61.809 35.090 1.00 0.00 H new ATOM 0 HB3 HIS A 2 79.189 63.559 35.126 1.00 0.00 H new ATOM 0 HD2 HIS A 2 80.229 60.746 32.898 1.00 0.00 H new ATOM 0 HE1 HIS A 2 82.792 63.862 31.835 1.00 0.00 H new ATOM 0 HE2 HIS A 2 81.972 61.550 31.177 1.00 0.00 H new ATOM 31 N MET A 3 80.410 64.140 38.160 1.00 0.00 N ATOM 32 CA MET A 3 79.730 65.140 38.970 1.00 0.00 C ATOM 33 C MET A 3 79.620 66.510 38.350 1.00 0.00 C ATOM 34 O MET A 3 78.910 67.240 38.930 1.00 0.00 O ATOM 35 CB MET A 3 80.530 65.310 40.230 1.00 0.00 C ATOM 36 CG MET A 3 80.430 64.100 41.080 1.00 0.00 C ATOM 37 SD MET A 3 81.340 64.100 42.640 1.00 0.00 S ATOM 38 CE MET A 3 80.360 65.350 43.490 1.00 0.00 C ATOM 0 H MET A 3 81.406 64.355 38.106 1.00 0.00 H new ATOM 0 HA MET A 3 78.713 64.773 39.111 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.574 65.501 39.981 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.170 66.179 40.781 1.00 0.00 H new ATOM 0 HG2 MET A 3 79.377 63.933 41.305 1.00 0.00 H new ATOM 0 HG3 MET A 3 80.770 63.247 40.492 1.00 0.00 H new ATOM 0 HE1 MET A 3 80.605 65.344 44.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 80.582 66.332 43.072 1.00 0.00 H new ATOM 0 HE3 MET A 3 79.300 65.131 43.361 1.00 0.00 H new ATOM 48 N LYS A 4 80.150 66.700 37.130 1.00 0.00 N ATOM 49 CA LYS A 4 80.460 67.990 36.510 1.00 0.00 C ATOM 50 C LYS A 4 79.290 68.410 35.630 1.00 0.00 C ATOM 51 O LYS A 4 79.550 69.150 34.670 1.00 0.00 O ATOM 52 CB LYS A 4 81.750 67.900 35.670 1.00 0.00 C ATOM 53 CG LYS A 4 82.970 67.600 36.540 1.00 0.00 C ATOM 54 CD LYS A 4 84.230 67.580 35.700 1.00 0.00 C ATOM 55 CE LYS A 4 85.430 67.250 36.570 1.00 0.00 C ATOM 56 NZ LYS A 4 86.610 67.280 35.740 1.00 0.00 N ATOM 0 H LYS A 4 80.384 65.915 36.522 1.00 0.00 H new ATOM 0 HA LYS A 4 80.620 68.732 37.292 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.640 67.121 34.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.904 68.839 35.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.060 68.353 37.323 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.842 66.638 37.037 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.134 66.842 34.904 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.373 68.549 35.221 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.519 67.970 37.384 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.311 66.267 37.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.446 67.056 36.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.517 66.578 34.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.719 68.228 35.326 1.00 0.00 H new ATOM 70 N LEU A 5 78.110 67.850 35.760 1.00 0.00 N ATOM 71 CA LEU A 5 77.000 68.360 35.000 1.00 0.00 C ATOM 72 C LEU A 5 75.900 68.630 36.000 1.00 0.00 C ATOM 73 O LEU A 5 75.780 67.950 37.040 1.00 0.00 O ATOM 74 CB LEU A 5 76.580 67.500 33.790 1.00 0.00 C ATOM 75 CG LEU A 5 77.630 67.240 32.750 1.00 0.00 C ATOM 76 CD1 LEU A 5 78.730 66.340 33.310 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.030 66.580 31.520 1.00 0.00 C ATOM 0 H LEU A 5 77.899 67.060 36.370 1.00 0.00 H new ATOM 0 HA LEU A 5 77.287 69.280 34.491 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.225 66.539 34.163 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.734 67.986 33.305 1.00 0.00 H new ATOM 0 HG LEU A 5 78.054 68.203 32.467 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.482 66.163 32.541 1.00 0.00 H new ATOM 0 HD12 LEU A 5 79.196 66.825 34.168 1.00 0.00 H new ATOM 0 HD13 LEU A 5 78.298 65.389 33.621 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.814 66.403 30.783 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.576 65.630 31.802 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.269 67.233 31.091 1.00 0.00 H new ATOM 89 N VAL A 6 75.090 69.570 35.660 1.00 0.00 N ATOM 90 CA VAL A 6 73.760 69.750 36.200 1.00 0.00 C ATOM 91 C VAL A 6 72.810 69.770 35.020 1.00 0.00 C ATOM 92 O VAL A 6 73.020 70.520 34.080 1.00 0.00 O ATOM 93 CB VAL A 6 73.640 71.050 37.000 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.200 71.190 37.480 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.570 71.030 38.190 1.00 0.00 C ATOM 0 H VAL A 6 75.335 70.276 34.965 1.00 0.00 H new ATOM 0 HA VAL A 6 73.525 68.940 36.891 1.00 0.00 H new ATOM 0 HB VAL A 6 73.914 71.893 36.365 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.095 72.112 38.053 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.531 71.219 36.620 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.943 70.339 38.111 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.470 71.962 38.746 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.314 70.192 38.838 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.599 70.921 37.846 1.00 0.00 H new ATOM 105 N LEU A 7 71.740 68.990 35.070 1.00 0.00 N ATOM 106 CA LEU A 7 70.630 69.050 34.100 1.00 0.00 C ATOM 107 C LEU A 7 69.450 69.910 34.620 1.00 0.00 C ATOM 108 O LEU A 7 69.220 69.970 35.830 1.00 0.00 O ATOM 109 CB LEU A 7 70.130 67.650 33.760 1.00 0.00 C ATOM 110 CG LEU A 7 71.140 66.800 32.980 1.00 0.00 C ATOM 111 CD1 LEU A 7 72.400 66.580 33.780 1.00 0.00 C ATOM 112 CD2 LEU A 7 70.560 65.410 32.670 1.00 0.00 C ATOM 0 H LEU A 7 71.606 68.283 35.793 1.00 0.00 H new ATOM 0 HA LEU A 7 71.024 69.522 33.200 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.872 67.133 34.684 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.214 67.734 33.176 1.00 0.00 H new ATOM 0 HG LEU A 7 71.360 67.344 32.061 1.00 0.00 H new ATOM 0 HD11 LEU A 7 73.097 65.974 33.201 1.00 0.00 H new ATOM 0 HD12 LEU A 7 72.858 67.542 34.009 1.00 0.00 H new ATOM 0 HD13 LEU A 7 72.156 66.065 34.709 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.294 64.825 32.116 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.318 64.900 33.603 1.00 0.00 H new ATOM 0 HD23 LEU A 7 69.656 65.518 32.071 1.00 0.00 H new ATOM 124 N ALA A 8 68.710 70.510 33.720 1.00 0.00 N ATOM 125 CA ALA A 8 67.450 71.270 33.860 1.00 0.00 C ATOM 126 C ALA A 8 66.260 70.440 34.260 1.00 0.00 C ATOM 127 O ALA A 8 66.000 69.330 33.780 1.00 0.00 O ATOM 128 CB ALA A 8 67.120 71.960 32.550 1.00 0.00 C ATOM 0 H ALA A 8 68.997 70.485 32.742 1.00 0.00 H new ATOM 0 HA ALA A 8 67.631 71.981 34.666 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.191 72.519 32.657 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.926 72.644 32.286 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.006 71.213 31.764 1.00 0.00 H new ATOM 134 N LYS A 9 65.440 71.060 35.110 1.00 0.00 N ATOM 135 CA LYS A 9 64.230 70.480 35.660 1.00 0.00 C ATOM 136 C LYS A 9 63.270 70.180 34.530 1.00 0.00 C ATOM 137 O LYS A 9 62.620 69.110 34.520 1.00 0.00 O ATOM 138 CB LYS A 9 63.590 71.450 36.670 1.00 0.00 C ATOM 139 CG LYS A 9 64.570 71.930 37.740 1.00 0.00 C ATOM 140 CD LYS A 9 63.920 72.970 38.640 1.00 0.00 C ATOM 141 CE LYS A 9 64.900 73.500 39.670 1.00 0.00 C ATOM 142 NZ LYS A 9 64.240 74.450 40.600 1.00 0.00 N ATOM 0 H LYS A 9 65.612 72.010 35.440 1.00 0.00 H new ATOM 0 HA LYS A 9 64.470 69.555 36.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.193 72.313 36.135 1.00 0.00 H new ATOM 0 HB3 LYS A 9 62.746 70.958 37.153 1.00 0.00 H new ATOM 0 HG2 LYS A 9 64.905 71.083 38.339 1.00 0.00 H new ATOM 0 HG3 LYS A 9 65.454 72.355 37.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 63.545 73.795 38.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 63.061 72.530 39.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 65.323 72.669 40.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.728 73.997 39.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.934 74.796 41.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 63.858 75.254 40.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 63.465 73.967 41.098 1.00 0.00 H new ATOM 156 N ASN A 10 63.130 71.040 33.560 1.00 0.00 N ATOM 157 CA ASN A 10 62.110 70.930 32.570 1.00 0.00 C ATOM 158 C ASN A 10 62.260 69.730 31.610 1.00 0.00 C ATOM 159 O ASN A 10 61.240 69.060 31.410 1.00 0.00 O ATOM 160 CB ASN A 10 62.000 72.230 31.800 1.00 0.00 C ATOM 161 CG ASN A 10 61.380 73.320 32.670 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.670 73.050 33.620 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.560 74.550 32.290 1.00 0.00 N ATOM 0 H ASN A 10 63.737 71.851 33.438 1.00 0.00 H new ATOM 0 HA ASN A 10 61.186 70.733 33.114 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.988 72.544 31.464 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.392 72.080 30.908 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.102 75.311 32.791 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.160 74.754 31.491 1.00 0.00 H new ATOM 170 N THR A 11 63.400 69.450 31.080 1.00 0.00 N ATOM 171 CA THR A 11 63.600 68.210 30.290 1.00 0.00 C ATOM 172 C THR A 11 63.560 66.960 31.140 1.00 0.00 C ATOM 173 O THR A 11 62.960 65.960 30.720 1.00 0.00 O ATOM 174 CB THR A 11 64.940 68.300 29.580 1.00 0.00 C ATOM 175 OG1 THR A 11 65.960 68.580 30.500 1.00 0.00 O ATOM 176 CG2 THR A 11 64.910 69.420 28.580 1.00 0.00 C ATOM 0 H THR A 11 64.228 70.040 31.159 1.00 0.00 H new ATOM 0 HA THR A 11 62.780 68.132 29.576 1.00 0.00 H new ATOM 0 HB THR A 11 65.128 67.346 29.087 1.00 0.00 H new ATOM 0 HG1 THR A 11 66.818 68.634 30.030 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.873 69.481 28.073 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.125 69.232 27.847 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.710 70.361 29.093 1.00 0.00 H new ATOM 184 N ARG A 12 64.190 66.990 32.280 1.00 0.00 N ATOM 185 CA ARG A 12 64.580 65.840 33.070 1.00 0.00 C ATOM 186 C ARG A 12 63.720 65.540 34.260 1.00 0.00 C ATOM 187 O ARG A 12 63.600 64.330 34.470 1.00 0.00 O ATOM 188 CB ARG A 12 65.950 66.090 33.650 1.00 0.00 C ATOM 189 CG ARG A 12 66.990 66.140 32.540 1.00 0.00 C ATOM 190 CD ARG A 12 67.140 64.800 31.830 1.00 0.00 C ATOM 191 NE ARG A 12 68.080 64.660 30.720 1.00 0.00 N ATOM 192 CZ ARG A 12 67.850 65.160 29.540 1.00 0.00 C ATOM 193 NH1 ARG A 12 66.730 65.770 29.320 1.00 0.00 N ATOM 194 NH2 ARG A 12 68.820 65.280 28.660 1.00 0.00 N ATOM 0 H ARG A 12 64.466 67.870 32.716 1.00 0.00 H new ATOM 0 HA ARG A 12 64.508 65.005 32.373 1.00 0.00 H new ATOM 0 HB2 ARG A 12 65.953 67.029 34.203 1.00 0.00 H new ATOM 0 HB3 ARG A 12 66.202 65.302 34.359 1.00 0.00 H new ATOM 0 HG2 ARG A 12 66.708 66.904 31.815 1.00 0.00 H new ATOM 0 HG3 ARG A 12 67.952 66.437 32.959 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.418 64.063 32.584 1.00 0.00 H new ATOM 0 HD3 ARG A 12 66.155 64.519 31.457 1.00 0.00 H new ATOM 0 HE ARG A 12 68.950 64.151 30.876 1.00 0.00 H new ATOM 0 HH11 ARG A 12 66.040 65.855 30.067 1.00 0.00 H new ATOM 0 HH12 ARG A 12 66.537 66.166 28.400 1.00 0.00 H new ATOM 0 HH21 ARG A 12 69.765 64.980 28.899 1.00 0.00 H new ATOM 0 HH22 ARG A 12 68.627 65.673 27.739 1.00 0.00 H new ATOM 208 N LYS A 13 63.070 66.460 34.920 1.00 0.00 N ATOM 209 CA LYS A 13 62.270 66.210 36.130 1.00 0.00 C ATOM 210 C LYS A 13 62.990 65.500 37.290 1.00 0.00 C ATOM 211 O LYS A 13 62.790 65.840 38.430 1.00 0.00 O ATOM 212 CB LYS A 13 61.060 65.430 35.660 1.00 0.00 C ATOM 213 CG LYS A 13 60.110 66.230 34.760 1.00 0.00 C ATOM 214 CD LYS A 13 59.540 67.370 35.570 1.00 0.00 C ATOM 215 CE LYS A 13 58.610 68.190 34.670 1.00 0.00 C ATOM 216 NZ LYS A 13 59.320 68.780 33.560 1.00 0.00 N ATOM 0 H LYS A 13 63.071 67.440 34.637 1.00 0.00 H new ATOM 0 HA LYS A 13 62.017 67.170 36.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.398 64.547 35.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.507 65.078 36.531 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.643 66.612 33.889 1.00 0.00 H new ATOM 0 HG3 LYS A 13 59.309 65.590 34.389 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.992 66.986 36.431 1.00 0.00 H new ATOM 0 HD3 LYS A 13 60.343 67.998 35.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 57.813 67.550 34.292 1.00 0.00 H new ATOM 0 HE3 LYS A 13 58.136 68.976 35.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 58.922 69.718 33.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 60.326 68.877 33.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 59.223 68.171 32.723 1.00 0.00 H new ATOM 230 N SER A 14 63.760 64.480 36.990 1.00 0.00 N ATOM 231 CA SER A 14 64.230 63.480 37.870 1.00 0.00 C ATOM 232 C SER A 14 65.600 63.770 38.350 1.00 0.00 C ATOM 233 O SER A 14 65.770 63.180 39.410 1.00 0.00 O ATOM 234 CB SER A 14 64.240 62.150 37.170 1.00 0.00 C ATOM 235 OG SER A 14 65.070 62.200 36.050 1.00 0.00 O ATOM 0 H SER A 14 64.092 64.332 36.037 1.00 0.00 H new ATOM 0 HA SER A 14 63.558 63.459 38.728 1.00 0.00 H new ATOM 0 HB2 SER A 14 64.586 61.374 37.853 1.00 0.00 H new ATOM 0 HB3 SER A 14 63.227 61.882 36.869 1.00 0.00 H new ATOM 0 HG SER A 14 65.070 61.328 35.603 1.00 0.00 H new ATOM 241 N ASP A 15 66.490 64.520 37.930 1.00 0.00 N ATOM 242 CA ASP A 15 67.790 64.690 38.600 1.00 0.00 C ATOM 243 C ASP A 15 68.070 66.090 39.100 1.00 0.00 C ATOM 244 O ASP A 15 68.880 66.290 39.980 1.00 0.00 O ATOM 245 CB ASP A 15 68.880 64.230 37.700 1.00 0.00 C ATOM 246 CG ASP A 15 68.870 65.020 36.390 1.00 0.00 C ATOM 247 OD1 ASP A 15 67.950 65.700 36.070 1.00 0.00 O ATOM 248 OD2 ASP A 15 69.900 64.820 35.650 1.00 0.00 O ATOM 0 H ASP A 15 66.391 65.081 37.084 1.00 0.00 H new ATOM 0 HA ASP A 15 67.746 64.074 39.498 1.00 0.00 H new ATOM 0 HB2 ASP A 15 69.843 64.351 38.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 68.761 63.167 37.490 1.00 0.00 H new ATOM 253 N ALA A 16 67.240 67.030 38.710 1.00 0.00 N ATOM 254 CA ALA A 16 67.500 68.450 38.590 1.00 0.00 C ATOM 255 C ALA A 16 66.890 69.340 39.670 1.00 0.00 C ATOM 256 O ALA A 16 67.000 70.550 39.610 1.00 0.00 O ATOM 257 CB ALA A 16 66.930 68.830 37.230 1.00 0.00 C ATOM 0 H ALA A 16 66.282 66.802 38.445 1.00 0.00 H new ATOM 0 HA ALA A 16 68.571 68.616 38.706 1.00 0.00 H new ATOM 0 HB1 ALA A 16 67.084 69.895 37.055 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.434 68.258 36.451 1.00 0.00 H new ATOM 0 HB3 ALA A 16 65.863 68.610 37.208 1.00 0.00 H new ATOM 263 N LYS A 17 66.160 68.760 40.630 1.00 0.00 N ATOM 264 CA LYS A 17 65.050 69.450 41.290 1.00 0.00 C ATOM 265 C LYS A 17 65.570 70.750 41.970 1.00 0.00 C ATOM 266 O LYS A 17 64.830 71.750 41.890 1.00 0.00 O ATOM 267 CB LYS A 17 64.410 68.530 42.320 1.00 0.00 C ATOM 268 CG LYS A 17 63.800 67.240 41.750 1.00 0.00 C ATOM 269 CD LYS A 17 63.210 66.370 42.860 1.00 0.00 C ATOM 270 CE LYS A 17 62.580 65.100 42.290 1.00 0.00 C ATOM 271 NZ LYS A 17 62.010 64.270 43.380 1.00 0.00 N ATOM 0 H LYS A 17 66.321 67.811 40.967 1.00 0.00 H new ATOM 0 HA LYS A 17 64.298 69.719 40.548 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.162 68.261 43.062 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.630 69.083 42.843 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.022 67.490 41.028 1.00 0.00 H new ATOM 0 HG3 LYS A 17 64.565 66.679 41.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.992 66.104 43.571 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.459 66.937 43.410 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.798 65.363 41.578 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.330 64.528 41.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.586 63.411 42.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.764 64.004 44.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.280 64.813 43.884 1.00 0.00 H new ATOM 285 N SER A 18 66.780 70.820 42.490 1.00 0.00 N ATOM 286 CA SER A 18 67.550 72.080 42.640 1.00 0.00 C ATOM 287 C SER A 18 69.080 72.070 42.470 1.00 0.00 C ATOM 288 O SER A 18 69.770 72.900 43.040 1.00 0.00 O ATOM 289 CB SER A 18 67.240 72.650 43.990 1.00 0.00 C ATOM 290 OG SER A 18 67.650 71.790 45.030 1.00 0.00 O ATOM 0 H SER A 18 67.281 70.000 42.832 1.00 0.00 H new ATOM 0 HA SER A 18 67.218 72.669 41.785 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.736 73.614 44.100 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.168 72.832 44.070 1.00 0.00 H new ATOM 0 HG SER A 18 68.306 72.249 45.595 1.00 0.00 H new ATOM 296 N VAL A 19 69.630 71.170 41.660 1.00 0.00 N ATOM 297 CA VAL A 19 71.020 70.740 41.830 1.00 0.00 C ATOM 298 C VAL A 19 72.080 71.820 41.600 1.00 0.00 C ATOM 299 O VAL A 19 73.050 71.870 42.350 1.00 0.00 O ATOM 300 CB VAL A 19 71.270 69.570 40.890 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.730 69.180 40.870 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.340 68.430 41.320 1.00 0.00 C ATOM 0 H VAL A 19 69.141 70.725 40.883 1.00 0.00 H new ATOM 0 HA VAL A 19 71.129 70.467 42.880 1.00 0.00 H new ATOM 0 HB VAL A 19 71.043 69.841 39.859 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.873 68.341 40.189 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.328 70.027 40.534 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.043 68.890 41.873 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.491 67.571 40.667 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.563 68.147 42.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.304 68.760 41.251 1.00 0.00 H new ATOM 312 N GLU A 20 71.880 72.690 40.630 1.00 0.00 N ATOM 313 CA GLU A 20 72.860 73.710 40.330 1.00 0.00 C ATOM 314 C GLU A 20 73.020 74.610 41.520 1.00 0.00 C ATOM 315 O GLU A 20 74.140 74.870 41.910 1.00 0.00 O ATOM 316 CB GLU A 20 72.430 74.530 39.160 1.00 0.00 C ATOM 317 CG GLU A 20 73.420 75.600 38.850 1.00 0.00 C ATOM 318 CD GLU A 20 74.740 75.080 38.350 1.00 0.00 C ATOM 319 OE1 GLU A 20 74.670 74.060 37.620 1.00 0.00 O ATOM 320 OE2 GLU A 20 75.720 75.710 38.740 1.00 0.00 O ATOM 0 H GLU A 20 71.049 72.710 40.038 1.00 0.00 H new ATOM 0 HA GLU A 20 73.805 73.222 40.092 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.304 73.886 38.290 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.459 74.980 39.367 1.00 0.00 H new ATOM 0 HG2 GLU A 20 72.996 76.268 38.100 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.591 76.195 39.747 1.00 0.00 H new ATOM 327 N LEU A 21 71.930 75.040 42.120 1.00 0.00 N ATOM 328 CA LEU A 21 72.060 75.930 43.220 1.00 0.00 C ATOM 329 C LEU A 21 72.820 75.240 44.290 1.00 0.00 C ATOM 330 O LEU A 21 73.770 75.880 44.720 1.00 0.00 O ATOM 331 CB LEU A 21 70.670 76.390 43.650 1.00 0.00 C ATOM 332 CG LEU A 21 69.980 77.240 42.630 1.00 0.00 C ATOM 333 CD1 LEU A 21 68.610 77.660 43.160 1.00 0.00 C ATOM 334 CD2 LEU A 21 70.780 78.480 42.380 1.00 0.00 C ATOM 0 H LEU A 21 70.975 74.788 41.863 1.00 0.00 H new ATOM 0 HA LEU A 21 72.618 76.830 42.959 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.055 75.515 43.858 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.753 76.950 44.581 1.00 0.00 H new ATOM 0 HG LEU A 21 69.874 76.667 41.709 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.107 78.279 42.417 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.009 76.773 43.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.735 78.228 44.082 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.274 79.096 41.637 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.881 79.042 43.309 1.00 0.00 H new ATOM 0 HD23 LEU A 21 71.769 78.207 42.012 1.00 0.00 H new ATOM 346 N GLU A 22 72.470 74.080 44.760 1.00 0.00 N ATOM 347 CA GLU A 22 73.090 73.370 45.860 1.00 0.00 C ATOM 348 C GLU A 22 74.550 73.040 45.580 1.00 0.00 C ATOM 349 O GLU A 22 75.360 73.270 46.490 1.00 0.00 O ATOM 350 CB GLU A 22 72.370 72.080 46.180 1.00 0.00 C ATOM 351 CG GLU A 22 70.990 72.370 46.770 1.00 0.00 C ATOM 352 CD GLU A 22 70.270 71.060 47.110 1.00 0.00 C ATOM 353 OE1 GLU A 22 70.850 70.000 46.870 1.00 0.00 O ATOM 354 OE2 GLU A 22 69.090 71.100 47.520 1.00 0.00 O ATOM 0 H GLU A 22 71.688 73.560 44.362 1.00 0.00 H new ATOM 0 HA GLU A 22 73.027 74.046 46.713 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.267 71.480 45.276 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.958 71.494 46.886 1.00 0.00 H new ATOM 0 HG2 GLU A 22 71.092 72.980 47.667 1.00 0.00 H new ATOM 0 HG3 GLU A 22 70.397 72.945 46.059 1.00 0.00 H new ATOM 361 N ASP A 23 74.780 72.590 44.390 1.00 0.00 N ATOM 362 CA ASP A 23 76.100 72.180 43.900 1.00 0.00 C ATOM 363 C ASP A 23 76.980 73.400 43.870 1.00 0.00 C ATOM 364 O ASP A 23 78.100 73.350 44.350 1.00 0.00 O ATOM 365 CB ASP A 23 76.000 71.600 42.510 1.00 0.00 C ATOM 366 CG ASP A 23 77.280 71.030 41.880 1.00 0.00 C ATOM 367 OD1 ASP A 23 78.220 70.940 42.810 1.00 0.00 O ATOM 368 OD2 ASP A 23 77.310 70.560 40.850 1.00 0.00 O ATOM 0 H ASP A 23 74.044 72.486 43.692 1.00 0.00 H new ATOM 0 HA ASP A 23 76.513 71.415 44.557 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.254 70.805 42.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 75.618 72.378 41.849 1.00 0.00 H new ATOM 373 N LEU A 24 76.430 74.540 43.490 1.00 0.00 N ATOM 374 CA LEU A 24 77.160 75.780 43.480 1.00 0.00 C ATOM 375 C LEU A 24 77.880 76.020 44.790 1.00 0.00 C ATOM 376 O LEU A 24 79.090 76.130 44.890 1.00 0.00 O ATOM 377 CB LEU A 24 76.240 76.950 43.120 1.00 0.00 C ATOM 378 CG LEU A 24 76.100 77.210 41.630 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.080 78.330 41.390 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.440 77.650 41.070 1.00 0.00 C ATOM 0 H LEU A 24 75.462 74.624 43.180 1.00 0.00 H new ATOM 0 HA LEU A 24 77.926 75.706 42.708 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.251 76.759 43.536 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.618 77.853 43.599 1.00 0.00 H new ATOM 0 HG LEU A 24 75.766 76.296 41.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.984 78.512 40.320 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.113 78.034 41.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.417 79.241 41.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.344 77.838 40.001 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.762 78.563 41.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.179 76.866 41.236 1.00 0.00 H new ATOM 392 N TYR A 25 77.070 76.120 45.890 1.00 0.00 N ATOM 393 CA TYR A 25 77.620 76.370 47.200 1.00 0.00 C ATOM 394 C TYR A 25 78.470 75.180 47.650 1.00 0.00 C ATOM 395 O TYR A 25 79.560 75.380 48.190 1.00 0.00 O ATOM 396 CB TYR A 25 76.530 76.670 48.240 1.00 0.00 C ATOM 397 CG TYR A 25 76.990 77.030 49.610 1.00 0.00 C ATOM 398 CD1 TYR A 25 77.340 78.350 49.910 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.090 76.050 50.590 1.00 0.00 C ATOM 400 CE1 TYR A 25 77.830 78.660 51.170 1.00 0.00 C ATOM 401 CE2 TYR A 25 77.570 76.330 51.860 1.00 0.00 C ATOM 402 CZ TYR A 25 77.940 77.640 52.130 1.00 0.00 C ATOM 403 OH TYR A 25 78.330 78.000 53.330 1.00 0.00 O ATOM 0 H TYR A 25 76.054 76.028 45.865 1.00 0.00 H new ATOM 0 HA TYR A 25 78.249 77.257 47.126 1.00 0.00 H new ATOM 0 HB2 TYR A 25 75.916 77.487 47.862 1.00 0.00 H new ATOM 0 HB3 TYR A 25 75.884 75.795 48.317 1.00 0.00 H new ATOM 0 HD1 TYR A 25 77.229 79.124 49.165 1.00 0.00 H new ATOM 0 HD2 TYR A 25 76.785 75.041 50.355 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.123 79.671 51.410 1.00 0.00 H new ATOM 0 HE2 TYR A 25 77.653 75.558 52.611 1.00 0.00 H new ATOM 0 HH TYR A 25 78.369 77.212 53.911 1.00 0.00 H new ATOM 413 N HIS A 26 78.040 73.920 47.470 1.00 0.00 N ATOM 414 CA HIS A 26 78.780 72.790 48.020 1.00 0.00 C ATOM 415 C HIS A 26 80.090 72.470 47.280 1.00 0.00 C ATOM 416 O HIS A 26 81.110 72.200 47.930 1.00 0.00 O ATOM 417 CB HIS A 26 77.890 71.560 47.970 1.00 0.00 C ATOM 418 CG HIS A 26 76.580 71.740 48.720 1.00 0.00 C ATOM 419 ND1 HIS A 26 75.540 70.840 48.700 1.00 0.00 N ATOM 420 CD2 HIS A 26 76.330 72.620 49.740 1.00 0.00 C ATOM 421 CE1 HIS A 26 74.680 71.190 49.640 1.00 0.00 C ATOM 422 NE2 HIS A 26 75.150 72.240 50.330 1.00 0.00 N ATOM 0 H HIS A 26 77.196 73.668 46.955 1.00 0.00 H new ATOM 0 HA HIS A 26 79.056 73.067 49.037 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.675 71.316 46.929 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.429 70.712 48.391 1.00 0.00 H new ATOM 0 HD2 HIS A 26 76.948 73.458 50.027 1.00 0.00 H new ATOM 0 HE1 HIS A 26 73.735 70.701 49.826 1.00 0.00 H new ATOM 0 HE2 HIS A 26 74.712 72.675 51.142 1.00 0.00 H new ATOM 430 N GLU A 27 80.050 72.510 46.000 1.00 0.00 N ATOM 431 CA GLU A 27 81.160 72.250 45.100 1.00 0.00 C ATOM 432 C GLU A 27 82.180 73.280 45.410 1.00 0.00 C ATOM 433 O GLU A 27 83.280 72.850 45.670 1.00 0.00 O ATOM 434 CB GLU A 27 80.860 72.360 43.620 1.00 0.00 C ATOM 435 CG GLU A 27 82.010 71.920 42.720 1.00 0.00 C ATOM 436 CD GLU A 27 81.600 71.960 41.250 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.770 71.130 40.860 1.00 0.00 O ATOM 438 OE2 GLU A 27 82.290 72.670 40.470 1.00 0.00 O ATOM 0 H GLU A 27 79.192 72.739 45.499 1.00 0.00 H new ATOM 0 HA GLU A 27 81.460 71.215 45.263 1.00 0.00 H new ATOM 0 HB2 GLU A 27 79.982 71.756 43.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 80.605 73.394 43.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 82.870 72.570 42.879 1.00 0.00 H new ATOM 0 HG3 GLU A 27 82.320 70.910 42.988 1.00 0.00 H new ATOM 445 N PHE A 28 81.850 74.540 45.580 1.00 0.00 N ATOM 446 CA PHE A 28 82.940 75.450 45.830 1.00 0.00 C ATOM 447 C PHE A 28 83.580 75.280 47.210 1.00 0.00 C ATOM 448 O PHE A 28 84.770 75.560 47.370 1.00 0.00 O ATOM 449 CB PHE A 28 82.440 76.850 45.610 1.00 0.00 C ATOM 450 CG PHE A 28 82.260 77.670 46.860 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.350 78.170 47.590 1.00 0.00 C ATOM 452 CD2 PHE A 28 81.000 77.850 47.390 1.00 0.00 C ATOM 453 CE1 PHE A 28 83.240 78.810 48.810 1.00 0.00 C ATOM 454 CE2 PHE A 28 80.840 78.480 48.630 1.00 0.00 C ATOM 455 CZ PHE A 28 81.960 78.910 49.380 1.00 0.00 C ATOM 0 H PHE A 28 80.910 74.936 45.553 1.00 0.00 H new ATOM 0 HA PHE A 28 83.745 75.223 45.131 1.00 0.00 H new ATOM 0 HB2 PHE A 28 83.137 77.368 44.952 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.485 76.800 45.087 1.00 0.00 H new ATOM 0 HD1 PHE A 28 84.338 78.047 47.171 1.00 0.00 H new ATOM 0 HD2 PHE A 28 80.133 77.504 46.847 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.107 79.219 49.307 1.00 0.00 H new ATOM 0 HE2 PHE A 28 79.846 78.640 49.020 1.00 0.00 H new ATOM 0 HZ PHE A 28 81.833 79.309 50.375 1.00 0.00 H new ATOM 465 N SER A 29 82.810 74.950 48.250 1.00 0.00 N ATOM 466 CA SER A 29 83.400 74.680 49.540 1.00 0.00 C ATOM 467 C SER A 29 84.260 73.450 49.490 1.00 0.00 C ATOM 468 O SER A 29 85.280 73.460 50.230 1.00 0.00 O ATOM 469 CB SER A 29 82.290 74.510 50.560 1.00 0.00 C ATOM 470 OG SER A 29 81.470 73.410 50.320 1.00 0.00 O ATOM 0 H SER A 29 81.794 74.867 48.215 1.00 0.00 H new ATOM 0 HA SER A 29 84.038 75.516 49.826 1.00 0.00 H new ATOM 0 HB2 SER A 29 82.732 74.412 51.552 1.00 0.00 H new ATOM 0 HB3 SER A 29 81.678 75.412 50.571 1.00 0.00 H new ATOM 0 HG SER A 29 81.428 73.237 49.356 1.00 0.00 H new ATOM 476 N GLU A 30 83.760 72.410 48.910 1.00 0.00 N ATOM 477 CA GLU A 30 84.280 71.080 49.020 1.00 0.00 C ATOM 478 C GLU A 30 85.430 70.820 48.110 1.00 0.00 C ATOM 479 O GLU A 30 86.480 70.270 48.480 1.00 0.00 O ATOM 480 CB GLU A 30 83.190 70.030 48.810 1.00 0.00 C ATOM 481 CG GLU A 30 82.200 70.000 49.970 1.00 0.00 C ATOM 482 CD GLU A 30 81.120 68.950 49.720 1.00 0.00 C ATOM 483 OE1 GLU A 30 81.190 68.190 48.720 1.00 0.00 O ATOM 484 OE2 GLU A 30 80.280 68.810 50.610 1.00 0.00 O ATOM 0 H GLU A 30 82.934 72.464 48.314 1.00 0.00 H new ATOM 0 HA GLU A 30 84.656 70.997 50.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 82.657 70.240 47.883 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.649 69.048 48.698 1.00 0.00 H new ATOM 0 HG2 GLU A 30 82.725 69.777 50.899 1.00 0.00 H new ATOM 0 HG3 GLU A 30 81.741 70.981 50.091 1.00 0.00 H new ATOM 491 N ASP A 31 85.320 71.320 46.890 1.00 0.00 N ATOM 492 CA ASP A 31 86.270 71.050 45.880 1.00 0.00 C ATOM 493 C ASP A 31 86.280 72.050 44.720 1.00 0.00 C ATOM 494 O ASP A 31 85.310 72.620 44.290 1.00 0.00 O ATOM 495 CB ASP A 31 85.940 69.670 45.430 1.00 0.00 C ATOM 496 CG ASP A 31 87.060 69.160 44.550 1.00 0.00 C ATOM 497 OD1 ASP A 31 88.040 69.730 44.250 1.00 0.00 O ATOM 498 OD2 ASP A 31 86.890 68.010 44.220 1.00 0.00 O ATOM 0 H ASP A 31 84.555 71.926 46.593 1.00 0.00 H new ATOM 0 HA ASP A 31 87.282 71.145 46.273 1.00 0.00 H new ATOM 0 HB2 ASP A 31 85.809 69.014 46.291 1.00 0.00 H new ATOM 0 HB3 ASP A 31 84.998 69.668 44.881 1.00 0.00 H new ATOM 503 N LYS A 32 87.410 72.300 44.080 1.00 0.00 N ATOM 504 CA LYS A 32 87.540 73.390 43.110 1.00 0.00 C ATOM 505 C LYS A 32 87.500 72.900 41.700 1.00 0.00 C ATOM 506 O LYS A 32 88.280 71.890 41.440 1.00 0.00 O ATOM 507 CB LYS A 32 88.750 74.190 43.470 1.00 0.00 C ATOM 508 CG LYS A 32 88.600 74.980 44.720 1.00 0.00 C ATOM 509 CD LYS A 32 89.940 75.650 45.090 1.00 0.00 C ATOM 510 CE LYS A 32 89.810 76.450 46.310 1.00 0.00 C ATOM 511 NZ LYS A 32 91.020 77.210 46.720 1.00 0.00 N ATOM 0 H LYS A 32 88.264 71.759 44.213 1.00 0.00 H new ATOM 0 HA LYS A 32 86.679 74.056 43.161 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.600 73.516 43.577 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.983 74.868 42.649 1.00 0.00 H new ATOM 0 HG2 LYS A 32 87.829 75.739 44.589 1.00 0.00 H new ATOM 0 HG3 LYS A 32 88.273 74.331 45.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.705 74.887 45.232 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.272 76.285 44.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 88.991 77.156 46.173 1.00 0.00 H new ATOM 0 HE3 LYS A 32 89.527 75.787 47.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 90.818 77.739 47.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 91.804 76.549 46.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.285 77.875 45.965 1.00 0.00 H new ATOM 525 N ARG A 33 86.600 73.210 40.890 1.00 0.00 N ATOM 526 CA ARG A 33 85.880 72.300 39.980 1.00 0.00 C ATOM 527 C ARG A 33 84.940 73.140 39.100 1.00 0.00 C ATOM 528 O ARG A 33 84.840 74.340 39.270 1.00 0.00 O ATOM 529 CB ARG A 33 85.020 71.270 40.730 1.00 0.00 C ATOM 530 CG ARG A 33 85.710 69.910 40.860 1.00 0.00 C ATOM 531 CD ARG A 33 84.760 68.890 41.480 1.00 0.00 C ATOM 532 NE ARG A 33 85.400 67.570 41.530 1.00 0.00 N ATOM 533 CZ ARG A 33 84.760 66.530 42.080 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.580 66.600 42.520 1.00 0.00 N ATOM 535 NH2 ARG A 33 85.450 65.400 42.190 1.00 0.00 N ATOM 0 H ARG A 33 86.281 74.174 40.796 1.00 0.00 H new ATOM 0 HA ARG A 33 86.627 71.760 39.397 1.00 0.00 H new ATOM 0 HB2 ARG A 33 84.787 71.652 41.724 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.072 71.144 40.207 1.00 0.00 H new ATOM 0 HG2 ARG A 33 86.035 69.564 39.879 1.00 0.00 H new ATOM 0 HG3 ARG A 33 86.604 70.006 41.476 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.481 69.206 42.485 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.841 68.835 40.896 1.00 0.00 H new ATOM 0 HE ARG A 33 86.336 67.444 41.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 83.067 67.480 42.466 1.00 0.00 H new ATOM 0 HH12 ARG A 33 83.139 65.777 42.930 1.00 0.00 H new ATOM 0 HH21 ARG A 33 86.415 65.358 41.863 1.00 0.00 H new ATOM 0 HH22 ARG A 33 85.014 64.574 42.601 1.00 0.00 H new ATOM 549 N SER A 34 84.430 72.520 38.050 1.00 0.00 N ATOM 550 CA SER A 34 83.710 73.170 36.960 1.00 0.00 C ATOM 551 C SER A 34 82.600 72.280 36.470 1.00 0.00 C ATOM 552 O SER A 34 82.720 71.030 36.510 1.00 0.00 O ATOM 553 CB SER A 34 84.600 73.540 35.780 1.00 0.00 C ATOM 554 OG SER A 34 85.110 72.400 35.170 1.00 0.00 O ATOM 0 H SER A 34 84.507 71.511 37.925 1.00 0.00 H new ATOM 0 HA SER A 34 83.313 74.098 37.372 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.029 74.121 35.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.419 74.173 36.121 1.00 0.00 H new ATOM 0 HG SER A 34 85.458 72.631 34.283 1.00 0.00 H new ATOM 560 N ILE A 35 81.600 72.890 35.880 1.00 0.00 N ATOM 561 CA ILE A 35 80.340 72.240 35.530 1.00 0.00 C ATOM 562 C ILE A 35 79.980 72.560 34.080 1.00 0.00 C ATOM 563 O ILE A 35 80.320 73.600 33.530 1.00 0.00 O ATOM 564 CB ILE A 35 79.170 72.670 36.460 1.00 0.00 C ATOM 565 CG1 ILE A 35 78.900 74.140 36.360 1.00 0.00 C ATOM 566 CG2 ILE A 35 79.510 72.410 37.900 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.620 74.540 37.070 1.00 0.00 C ATOM 0 H ILE A 35 81.631 73.876 35.620 1.00 0.00 H new ATOM 0 HA ILE A 35 80.484 71.167 35.658 1.00 0.00 H new ATOM 0 HB ILE A 35 78.303 72.092 36.141 1.00 0.00 H new ATOM 0 HG12 ILE A 35 79.738 74.691 36.788 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.835 74.425 35.310 1.00 0.00 H new ATOM 0 HG21 ILE A 35 78.677 72.718 38.532 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.699 71.346 38.043 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.401 72.977 38.172 1.00 0.00 H new ATOM 0 HD11 ILE A 35 77.468 75.615 36.969 1.00 0.00 H new ATOM 0 HD12 ILE A 35 76.777 74.011 36.625 1.00 0.00 H new ATOM 0 HD13 ILE A 35 77.694 74.282 38.126 1.00 0.00 H new ATOM 579 N PHE A 36 79.300 71.630 33.430 1.00 0.00 N ATOM 580 CA PHE A 36 78.360 71.960 32.410 1.00 0.00 C ATOM 581 C PHE A 36 76.980 72.050 33.040 1.00 0.00 C ATOM 582 O PHE A 36 76.620 71.340 33.980 1.00 0.00 O ATOM 583 CB PHE A 36 78.450 70.910 31.330 1.00 0.00 C ATOM 584 CG PHE A 36 79.720 70.890 30.520 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.790 70.120 30.990 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.840 71.630 29.340 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.000 70.120 30.290 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.050 71.610 28.640 1.00 0.00 C ATOM 589 CZ PHE A 36 82.130 70.860 29.110 1.00 0.00 C ATOM 0 H PHE A 36 79.395 70.630 33.606 1.00 0.00 H new ATOM 0 HA PHE A 36 78.570 72.925 31.949 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.325 69.931 31.794 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.612 71.049 30.648 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.682 69.530 31.888 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.007 72.211 28.973 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.837 69.547 30.661 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.150 72.180 27.728 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.062 70.851 28.565 1.00 0.00 H new ATOM 599 N TYR A 37 76.130 72.860 32.420 1.00 0.00 N ATOM 600 CA TYR A 37 74.750 73.000 32.750 1.00 0.00 C ATOM 601 C TYR A 37 73.940 72.700 31.500 1.00 0.00 C ATOM 602 O TYR A 37 74.050 73.470 30.540 1.00 0.00 O ATOM 603 CB TYR A 37 74.430 74.400 33.280 1.00 0.00 C ATOM 604 CG TYR A 37 73.010 74.530 33.780 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.470 73.560 34.610 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.200 75.580 33.360 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.160 73.650 35.080 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.850 75.650 33.740 1.00 0.00 C ATOM 609 CZ TYR A 37 70.330 74.680 34.630 1.00 0.00 C ATOM 610 OH TYR A 37 69.100 74.880 35.180 1.00 0.00 O ATOM 0 H TYR A 37 76.414 73.455 31.642 1.00 0.00 H new ATOM 0 HA TYR A 37 74.496 72.302 33.548 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.118 74.642 34.090 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.599 75.130 32.488 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.078 72.715 34.899 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.616 76.354 32.732 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.788 72.926 35.790 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.215 76.436 33.357 1.00 0.00 H new ATOM 0 HH TYR A 37 68.730 75.728 34.856 1.00 0.00 H new ATOM 620 N PHE A 38 73.210 71.620 31.510 1.00 0.00 N ATOM 621 CA PHE A 38 72.310 71.190 30.440 1.00 0.00 C ATOM 622 C PHE A 38 70.890 71.670 30.670 1.00 0.00 C ATOM 623 O PHE A 38 70.080 71.020 31.360 1.00 0.00 O ATOM 624 CB PHE A 38 72.310 69.690 30.310 1.00 0.00 C ATOM 625 CG PHE A 38 71.570 69.260 29.090 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.200 69.090 29.130 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.270 68.870 27.940 1.00 0.00 C ATOM 628 CE1 PHE A 38 69.510 68.620 28.030 1.00 0.00 C ATOM 629 CE2 PHE A 38 71.610 68.320 26.840 1.00 0.00 C ATOM 630 CZ PHE A 38 70.220 68.240 26.900 1.00 0.00 C ATOM 0 H PHE A 38 73.216 70.973 32.298 1.00 0.00 H new ATOM 0 HA PHE A 38 72.682 71.637 29.518 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.336 69.325 30.265 1.00 0.00 H new ATOM 0 HB3 PHE A 38 71.852 69.245 31.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 69.660 69.328 30.035 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.342 68.998 27.904 1.00 0.00 H new ATOM 0 HE1 PHE A 38 68.432 68.549 28.049 1.00 0.00 H new ATOM 0 HE2 PHE A 38 72.155 67.970 25.976 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.679 67.871 26.041 1.00 0.00 H new ATOM 640 N ALA A 39 70.550 72.810 30.090 1.00 0.00 N ATOM 641 CA ALA A 39 69.260 73.410 30.290 1.00 0.00 C ATOM 642 C ALA A 39 68.600 73.920 29.030 1.00 0.00 C ATOM 643 O ALA A 39 69.310 74.360 28.160 1.00 0.00 O ATOM 644 CB ALA A 39 69.360 74.490 31.330 1.00 0.00 C ATOM 0 H ALA A 39 71.166 73.337 29.471 1.00 0.00 H new ATOM 0 HA ALA A 39 68.602 72.614 30.640 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.380 74.943 31.479 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.708 74.060 32.269 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.065 75.252 30.997 1.00 0.00 H new ATOM 650 N PRO A 40 67.280 73.800 28.900 1.00 0.00 N ATOM 651 CA PRO A 40 66.820 73.080 27.700 1.00 0.00 C ATOM 652 C PRO A 40 67.140 73.770 26.350 1.00 0.00 C ATOM 653 O PRO A 40 67.050 74.970 26.220 1.00 0.00 O ATOM 654 CB PRO A 40 65.320 72.970 27.940 1.00 0.00 C ATOM 655 CG PRO A 40 64.960 74.180 28.800 1.00 0.00 C ATOM 656 CD PRO A 40 66.150 74.280 29.740 1.00 0.00 C ATOM 0 HA PRO A 40 67.336 72.126 27.588 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.769 72.978 26.999 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.070 72.038 28.448 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.839 75.082 28.201 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.026 74.030 29.342 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.308 75.302 30.084 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.016 73.662 30.628 1.00 0.00 H new ATOM 664 N THR A 41 67.280 72.950 25.290 1.00 0.00 N ATOM 665 CA THR A 41 67.130 73.350 23.880 1.00 0.00 C ATOM 666 C THR A 41 65.700 73.680 23.550 1.00 0.00 C ATOM 667 O THR A 41 65.420 74.660 22.840 1.00 0.00 O ATOM 668 CB THR A 41 67.530 72.180 22.990 1.00 0.00 C ATOM 669 OG1 THR A 41 68.850 71.910 23.120 1.00 0.00 O ATOM 670 CG2 THR A 41 67.350 72.460 21.540 1.00 0.00 C ATOM 0 H THR A 41 67.507 71.961 25.396 1.00 0.00 H new ATOM 0 HA THR A 41 67.757 74.227 23.716 1.00 0.00 H new ATOM 0 HB THR A 41 66.888 71.359 23.309 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.340 72.301 22.366 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.653 71.588 20.961 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.302 72.683 21.340 1.00 0.00 H new ATOM 0 HG23 THR A 41 67.963 73.315 21.256 1.00 0.00 H new ATOM 678 N ASN A 42 64.730 72.950 24.100 1.00 0.00 N ATOM 679 CA ASN A 42 63.360 73.200 23.730 1.00 0.00 C ATOM 680 C ASN A 42 62.860 74.510 24.230 1.00 0.00 C ATOM 681 O ASN A 42 62.150 75.180 23.480 1.00 0.00 O ATOM 682 CB ASN A 42 62.490 72.070 24.280 1.00 0.00 C ATOM 683 CG ASN A 42 62.750 70.830 23.520 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.430 70.970 22.520 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.390 69.650 24.000 1.00 0.00 N ATOM 0 H ASN A 42 64.871 72.205 24.782 1.00 0.00 H new ATOM 0 HA ASN A 42 63.308 73.237 22.642 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.706 71.913 25.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.436 72.340 24.206 1.00 0.00 H new ATOM 0 HD21 ASN A 42 62.684 68.796 23.527 1.00 0.00 H new ATOM 0 HD22 ASN A 42 61.819 69.595 24.843 1.00 0.00 H new ATOM 692 N ALA A 43 63.080 74.830 25.490 1.00 0.00 N ATOM 693 CA ALA A 43 62.370 75.930 26.080 1.00 0.00 C ATOM 694 C ALA A 43 63.300 77.140 26.170 1.00 0.00 C ATOM 695 O ALA A 43 62.860 78.240 26.050 1.00 0.00 O ATOM 696 CB ALA A 43 61.780 75.530 27.430 1.00 0.00 C ATOM 0 H ALA A 43 63.733 74.350 26.109 1.00 0.00 H new ATOM 0 HA ALA A 43 61.524 76.209 25.452 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.246 76.378 27.860 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.089 74.698 27.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.583 75.228 28.103 1.00 0.00 H new ATOM 702 N HIS A 44 64.590 76.900 26.440 1.00 0.00 N ATOM 703 CA HIS A 44 65.560 77.930 26.800 1.00 0.00 C ATOM 704 C HIS A 44 65.130 78.690 28.040 1.00 0.00 C ATOM 705 O HIS A 44 65.380 79.890 28.220 1.00 0.00 O ATOM 706 CB HIS A 44 65.780 78.850 25.620 1.00 0.00 C ATOM 707 CG HIS A 44 66.240 78.170 24.370 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.430 77.480 24.240 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.570 78.030 23.220 1.00 0.00 C ATOM 710 CE1 HIS A 44 67.500 77.010 23.000 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.390 77.330 22.370 1.00 0.00 N ATOM 0 H HIS A 44 64.992 75.963 26.412 1.00 0.00 H new ATOM 0 HA HIS A 44 66.508 77.453 27.047 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.849 79.376 25.409 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.516 79.604 25.898 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.578 78.396 23.003 1.00 0.00 H new ATOM 0 HE1 HIS A 44 68.328 76.458 22.580 1.00 0.00 H new ATOM 0 HE2 HIS A 44 66.173 77.095 21.402 1.00 0.00 H new ATOM 719 N LYS A 45 64.440 77.970 28.940 1.00 0.00 N ATOM 720 CA LYS A 45 63.810 78.520 30.110 1.00 0.00 C ATOM 721 C LYS A 45 64.620 78.340 31.390 1.00 0.00 C ATOM 722 O LYS A 45 64.820 79.320 32.090 1.00 0.00 O ATOM 723 CB LYS A 45 62.440 77.890 30.280 1.00 0.00 C ATOM 724 CG LYS A 45 61.740 78.430 31.530 1.00 0.00 C ATOM 725 CD LYS A 45 60.350 77.820 31.640 1.00 0.00 C ATOM 726 CE LYS A 45 59.630 78.320 32.890 1.00 0.00 C ATOM 727 NZ LYS A 45 58.300 77.690 33.010 1.00 0.00 N ATOM 0 H LYS A 45 64.313 76.962 28.854 1.00 0.00 H new ATOM 0 HA LYS A 45 63.732 79.595 29.948 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.830 78.094 29.400 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.540 76.807 30.354 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.324 78.191 32.418 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.668 79.516 31.478 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.767 78.073 30.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.427 76.733 31.671 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.226 78.095 33.774 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.522 79.404 32.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.825 78.042 33.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.727 77.926 32.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.409 76.658 33.075 1.00 0.00 H new ATOM 741 N ASP A 46 64.970 77.110 31.680 1.00 0.00 N ATOM 742 CA ASP A 46 65.890 76.840 32.800 1.00 0.00 C ATOM 743 C ASP A 46 67.200 77.540 32.480 1.00 0.00 C ATOM 744 O ASP A 46 67.830 78.190 33.310 1.00 0.00 O ATOM 745 CB ASP A 46 66.120 75.350 33.010 1.00 0.00 C ATOM 746 CG ASP A 46 64.840 74.690 33.520 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.970 75.350 33.950 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.740 73.410 33.400 1.00 0.00 O ATOM 0 H ASP A 46 64.648 76.283 31.177 1.00 0.00 H new ATOM 0 HA ASP A 46 65.456 77.213 33.728 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.430 74.886 32.074 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.928 75.196 33.725 1.00 0.00 H new ATOM 753 N MET A 47 67.630 77.620 31.230 1.00 0.00 N ATOM 754 CA MET A 47 68.870 78.300 30.940 1.00 0.00 C ATOM 755 C MET A 47 68.850 79.810 31.210 1.00 0.00 C ATOM 756 O MET A 47 69.780 80.360 31.800 1.00 0.00 O ATOM 757 CB MET A 47 69.190 78.050 29.480 1.00 0.00 C ATOM 758 CG MET A 47 70.470 78.750 29.070 1.00 0.00 C ATOM 759 SD MET A 47 70.920 78.450 27.380 1.00 0.00 S ATOM 760 CE MET A 47 71.380 76.720 27.460 1.00 0.00 C ATOM 0 H MET A 47 67.147 77.230 30.421 1.00 0.00 H new ATOM 0 HA MET A 47 69.628 77.900 31.613 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.287 76.979 29.305 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.366 78.401 28.859 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.355 79.823 29.224 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.281 78.420 29.719 1.00 0.00 H new ATOM 0 HE1 MET A 47 72.370 76.586 27.024 1.00 0.00 H new ATOM 0 HE2 MET A 47 71.395 76.395 28.500 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.655 76.125 26.904 1.00 0.00 H new ATOM 770 N LEU A 48 67.750 80.470 30.810 1.00 0.00 N ATOM 771 CA LEU A 48 67.560 81.900 30.980 1.00 0.00 C ATOM 772 C LEU A 48 67.680 82.280 32.450 1.00 0.00 C ATOM 773 O LEU A 48 68.340 83.260 32.820 1.00 0.00 O ATOM 774 CB LEU A 48 66.240 82.390 30.360 1.00 0.00 C ATOM 775 CG LEU A 48 66.090 83.900 30.440 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.010 84.640 29.500 1.00 0.00 C ATOM 777 CD2 LEU A 48 64.740 84.290 29.970 1.00 0.00 C ATOM 0 H LEU A 48 66.963 80.008 30.354 1.00 0.00 H new ATOM 0 HA LEU A 48 68.354 82.410 30.435 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.193 82.077 29.317 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.403 81.916 30.873 1.00 0.00 H new ATOM 0 HG LEU A 48 66.302 84.151 31.479 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.853 85.713 29.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.046 84.399 29.740 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.797 84.343 28.473 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.633 85.373 30.028 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.607 83.967 28.938 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.985 83.817 30.598 1.00 0.00 H new ATOM 789 N LYS A 49 67.050 81.470 33.260 1.00 0.00 N ATOM 790 CA LYS A 49 67.020 81.560 34.700 1.00 0.00 C ATOM 791 C LYS A 49 68.400 81.330 35.330 1.00 0.00 C ATOM 792 O LYS A 49 68.710 82.000 36.300 1.00 0.00 O ATOM 793 CB LYS A 49 66.000 80.590 35.260 1.00 0.00 C ATOM 794 CG LYS A 49 64.570 81.000 34.980 1.00 0.00 C ATOM 795 CD LYS A 49 63.600 79.970 35.550 1.00 0.00 C ATOM 796 CE LYS A 49 62.170 80.370 35.270 1.00 0.00 C ATOM 797 NZ LYS A 49 61.220 79.390 35.830 1.00 0.00 N ATOM 0 H LYS A 49 66.509 80.679 32.911 1.00 0.00 H new ATOM 0 HA LYS A 49 66.726 82.577 34.960 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.177 79.602 34.836 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.142 80.505 36.337 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.372 81.977 35.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.417 81.097 33.905 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.802 78.992 35.112 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.752 79.876 36.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 61.975 81.354 35.697 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.018 80.454 34.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.255 79.626 35.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.467 78.437 35.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.267 79.415 36.869 1.00 0.00 H new ATOM 811 N ALA A 50 69.160 80.420 34.780 1.00 0.00 N ATOM 812 CA ALA A 50 70.530 80.170 35.210 1.00 0.00 C ATOM 813 C ALA A 50 71.450 81.390 35.190 1.00 0.00 C ATOM 814 O ALA A 50 72.130 81.650 36.140 1.00 0.00 O ATOM 815 CB ALA A 50 71.100 79.110 34.300 1.00 0.00 C ATOM 0 H ALA A 50 68.852 79.821 34.014 1.00 0.00 H new ATOM 0 HA ALA A 50 70.484 79.863 36.255 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.128 78.895 34.591 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.503 78.202 34.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.082 79.466 33.270 1.00 0.00 H new ATOM 821 N VAL A 51 71.370 82.160 34.090 1.00 0.00 N ATOM 822 CA VAL A 51 72.230 83.360 33.900 1.00 0.00 C ATOM 823 C VAL A 51 72.000 84.330 35.030 1.00 0.00 C ATOM 824 O VAL A 51 72.910 84.860 35.660 1.00 0.00 O ATOM 825 CB VAL A 51 71.910 84.030 32.560 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.840 85.210 32.410 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.140 83.140 31.370 1.00 0.00 C ATOM 0 H VAL A 51 70.726 81.981 33.320 1.00 0.00 H new ATOM 0 HA VAL A 51 73.276 83.054 33.897 1.00 0.00 H new ATOM 0 HB VAL A 51 70.854 84.298 32.577 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.640 85.713 31.464 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.679 85.907 33.232 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.873 84.863 32.425 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.892 83.682 30.457 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.186 82.837 31.339 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.508 82.255 31.450 1.00 0.00 H new ATOM 837 N ASP A 52 70.720 84.520 35.400 1.00 0.00 N ATOM 838 CA ASP A 52 70.330 85.290 36.550 1.00 0.00 C ATOM 839 C ASP A 52 70.690 84.650 37.870 1.00 0.00 C ATOM 840 O ASP A 52 71.260 85.360 38.690 1.00 0.00 O ATOM 841 CB ASP A 52 68.820 85.540 36.520 1.00 0.00 C ATOM 842 CG ASP A 52 68.680 86.610 35.400 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.500 87.220 34.950 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.430 86.770 34.850 1.00 0.00 O ATOM 0 H ASP A 52 69.930 84.128 34.887 1.00 0.00 H new ATOM 0 HA ASP A 52 70.889 86.223 36.486 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.263 84.633 36.287 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.450 85.904 37.478 1.00 0.00 H new ATOM 849 N PHE A 53 70.480 83.380 38.070 1.00 0.00 N ATOM 850 CA PHE A 53 70.790 82.790 39.360 1.00 0.00 C ATOM 851 C PHE A 53 72.250 82.930 39.650 1.00 0.00 C ATOM 852 O PHE A 53 72.610 83.260 40.790 1.00 0.00 O ATOM 853 CB PHE A 53 70.390 81.330 39.350 1.00 0.00 C ATOM 854 CG PHE A 53 68.920 81.080 39.290 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.050 82.070 39.690 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.450 79.890 38.700 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.680 81.950 39.400 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.070 79.700 38.610 1.00 0.00 C ATOM 859 CZ PHE A 53 66.210 80.710 38.950 1.00 0.00 C ATOM 0 H PHE A 53 70.102 82.735 37.376 1.00 0.00 H new ATOM 0 HA PHE A 53 70.234 83.308 40.142 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.861 80.845 38.495 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.788 80.853 40.246 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.418 82.934 40.224 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.138 79.146 38.328 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.010 82.789 39.521 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.679 78.752 38.271 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.145 80.547 38.869 1.00 0.00 H new ATOM 869 N PHE A 54 73.060 82.620 38.650 1.00 0.00 N ATOM 870 CA PHE A 54 74.480 82.390 38.810 1.00 0.00 C ATOM 871 C PHE A 54 75.000 83.680 39.280 1.00 0.00 C ATOM 872 O PHE A 54 75.520 83.630 40.400 1.00 0.00 O ATOM 873 CB PHE A 54 75.220 81.890 37.570 1.00 0.00 C ATOM 874 CG PHE A 54 74.790 80.550 37.110 1.00 0.00 C ATOM 875 CD1 PHE A 54 74.230 79.650 37.980 1.00 0.00 C ATOM 876 CD2 PHE A 54 74.850 80.140 35.810 1.00 0.00 C ATOM 877 CE1 PHE A 54 73.820 78.450 37.500 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.460 78.940 35.270 1.00 0.00 C ATOM 879 CZ PHE A 54 73.930 78.020 36.180 1.00 0.00 C ATOM 0 H PHE A 54 72.739 82.520 37.687 1.00 0.00 H new ATOM 0 HA PHE A 54 74.645 81.568 39.506 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.074 82.605 36.760 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.289 81.864 37.783 1.00 0.00 H new ATOM 0 HD1 PHE A 54 74.118 79.892 39.027 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.259 80.856 35.112 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.368 77.767 38.204 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.556 78.722 34.217 1.00 0.00 H new ATOM 0 HZ PHE A 54 73.623 77.030 35.876 1.00 0.00 H new ATOM 889 N LYS A 55 74.670 84.800 38.700 1.00 0.00 N ATOM 890 CA LYS A 55 75.080 86.140 39.130 1.00 0.00 C ATOM 891 C LYS A 55 74.540 86.460 40.530 1.00 0.00 C ATOM 892 O LYS A 55 75.200 87.120 41.330 1.00 0.00 O ATOM 893 CB LYS A 55 74.590 87.160 38.150 1.00 0.00 C ATOM 894 CG LYS A 55 75.150 87.080 36.770 1.00 0.00 C ATOM 895 CD LYS A 55 74.550 88.040 35.790 1.00 0.00 C ATOM 896 CE LYS A 55 75.180 87.840 34.470 1.00 0.00 C ATOM 897 NZ LYS A 55 74.580 88.800 33.540 1.00 0.00 N ATOM 0 H LYS A 55 74.077 84.822 37.870 1.00 0.00 H new ATOM 0 HA LYS A 55 76.169 86.168 39.170 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.505 87.076 38.083 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.809 88.150 38.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.224 87.257 36.819 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.011 86.066 36.395 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.474 87.883 35.721 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.701 89.065 36.127 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.258 87.991 34.534 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.022 86.820 34.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.005 88.683 32.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.555 88.632 33.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.753 89.767 33.880 1.00 0.00 H new ATOM 911 N GLU A 56 73.350 86.100 40.880 1.00 0.00 N ATOM 912 CA GLU A 56 72.790 86.390 42.180 1.00 0.00 C ATOM 913 C GLU A 56 73.660 85.940 43.320 1.00 0.00 C ATOM 914 O GLU A 56 73.830 86.730 44.230 1.00 0.00 O ATOM 915 CB GLU A 56 71.410 85.800 42.340 1.00 0.00 C ATOM 916 CG GLU A 56 70.420 86.570 41.470 1.00 0.00 C ATOM 917 CD GLU A 56 69.030 85.960 41.530 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.880 84.840 42.080 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.090 86.660 41.080 1.00 0.00 O ATOM 0 H GLU A 56 72.718 85.585 40.266 1.00 0.00 H new ATOM 0 HA GLU A 56 72.726 87.477 42.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.418 84.748 42.055 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.103 85.845 43.385 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.377 87.608 41.799 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.771 86.577 40.438 1.00 0.00 H new ATOM 926 N LYS A 57 74.170 84.700 43.200 1.00 0.00 N ATOM 927 CA LYS A 57 75.100 84.030 44.100 1.00 0.00 C ATOM 928 C LYS A 57 76.520 84.150 43.770 1.00 0.00 C ATOM 929 O LYS A 57 76.720 83.960 42.570 1.00 0.00 O ATOM 930 CB LYS A 57 74.710 82.580 44.260 1.00 0.00 C ATOM 931 CG LYS A 57 73.320 82.440 44.900 1.00 0.00 C ATOM 932 CD LYS A 57 72.940 80.980 45.010 1.00 0.00 C ATOM 933 CE LYS A 57 71.580 80.800 45.660 1.00 0.00 C ATOM 934 NZ LYS A 57 71.240 79.380 45.780 1.00 0.00 N ATOM 0 H LYS A 57 73.918 84.105 42.411 1.00 0.00 H new ATOM 0 HA LYS A 57 75.005 84.566 45.044 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.715 82.091 43.286 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.449 82.069 44.877 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.319 82.899 45.889 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.581 82.972 44.301 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.931 80.531 44.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.694 80.451 45.592 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.581 81.262 46.647 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.820 81.311 45.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.299 79.213 45.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.945 78.810 45.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.234 79.108 46.784 1.00 0.00 H new ATOM 948 N GLY A 58 77.450 84.250 44.690 1.00 0.00 N ATOM 949 CA GLY A 58 78.910 84.300 44.500 1.00 0.00 C ATOM 950 C GLY A 58 79.630 83.050 44.050 1.00 0.00 C ATOM 951 O GLY A 58 80.840 83.080 43.800 1.00 0.00 O ATOM 0 H GLY A 58 77.201 84.304 45.678 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.121 85.083 43.771 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.355 84.615 45.444 1.00 0.00 H new ATOM 955 N HIS A 59 78.850 81.990 44.010 1.00 0.00 N ATOM 956 CA HIS A 59 79.280 80.640 44.170 1.00 0.00 C ATOM 957 C HIS A 59 80.090 80.300 42.970 1.00 0.00 C ATOM 958 O HIS A 59 80.950 79.480 43.210 1.00 0.00 O ATOM 959 CB HIS A 59 78.090 79.700 44.190 1.00 0.00 C ATOM 960 CG HIS A 59 77.180 79.850 45.380 1.00 0.00 C ATOM 961 ND1 HIS A 59 75.960 79.210 45.530 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.360 80.650 46.490 1.00 0.00 C ATOM 963 CE1 HIS A 59 75.470 79.560 46.710 1.00 0.00 C ATOM 964 NE2 HIS A 59 76.260 80.470 47.290 1.00 0.00 N ATOM 0 H HIS A 59 77.845 82.065 43.856 1.00 0.00 H new ATOM 0 HA HIS A 59 79.837 80.539 45.102 1.00 0.00 H new ATOM 0 HB2 HIS A 59 77.506 79.858 43.283 1.00 0.00 H new ATOM 0 HB3 HIS A 59 78.456 78.674 44.159 1.00 0.00 H new ATOM 0 HD2 HIS A 59 78.204 81.294 46.690 1.00 0.00 H new ATOM 0 HE1 HIS A 59 74.562 79.166 47.142 1.00 0.00 H new ATOM 0 HE2 HIS A 59 76.077 80.947 48.173 1.00 0.00 H new ATOM 972 N THR A 60 80.000 80.720 41.780 1.00 0.00 N ATOM 973 CA THR A 60 80.850 80.350 40.630 1.00 0.00 C ATOM 974 C THR A 60 81.910 81.410 40.310 1.00 0.00 C ATOM 975 O THR A 60 81.680 82.600 40.460 1.00 0.00 O ATOM 976 CB THR A 60 79.970 80.100 39.410 1.00 0.00 C ATOM 977 OG1 THR A 60 80.770 79.690 38.350 1.00 0.00 O ATOM 978 CG2 THR A 60 79.250 81.340 38.960 1.00 0.00 C ATOM 0 H THR A 60 79.281 81.393 41.515 1.00 0.00 H new ATOM 0 HA THR A 60 81.388 79.441 40.899 1.00 0.00 H new ATOM 0 HB THR A 60 79.237 79.345 39.695 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.654 79.436 38.687 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.637 81.109 38.089 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.612 81.703 39.766 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.977 82.108 38.698 1.00 0.00 H new ATOM 986 N ALA A 61 83.090 81.060 39.840 1.00 0.00 N ATOM 987 CA ALA A 61 84.120 81.970 39.300 1.00 0.00 C ATOM 988 C ALA A 61 83.810 82.720 38.040 1.00 0.00 C ATOM 989 O ALA A 61 84.030 83.930 37.950 1.00 0.00 O ATOM 990 CB ALA A 61 85.420 81.150 39.100 1.00 0.00 C ATOM 0 H ALA A 61 83.387 80.085 39.816 1.00 0.00 H new ATOM 0 HA ALA A 61 84.201 82.763 40.043 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.201 81.797 38.701 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.742 80.740 40.057 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.232 80.335 38.401 1.00 0.00 H new ATOM 996 N TYR A 62 83.340 81.970 37.050 1.00 0.00 N ATOM 997 CA TYR A 62 82.950 82.500 35.770 1.00 0.00 C ATOM 998 C TYR A 62 81.770 81.740 35.210 1.00 0.00 C ATOM 999 O TYR A 62 81.630 80.550 35.490 1.00 0.00 O ATOM 1000 CB TYR A 62 84.100 82.360 34.830 1.00 0.00 C ATOM 1001 CG TYR A 62 85.400 83.030 35.210 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.600 84.350 34.850 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.350 82.300 35.940 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.760 84.990 35.290 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.510 82.930 36.380 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.720 84.230 36.000 1.00 0.00 C ATOM 1007 OH TYR A 62 88.890 84.760 36.370 1.00 0.00 O ATOM 0 H TYR A 62 83.221 80.960 37.126 1.00 0.00 H new ATOM 0 HA TYR A 62 82.667 83.546 35.891 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.297 81.296 34.696 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.791 82.751 33.861 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.876 84.873 34.243 1.00 0.00 H new ATOM 0 HD2 TYR A 62 86.182 81.256 36.159 1.00 0.00 H new ATOM 0 HE1 TYR A 62 86.921 86.040 35.093 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.223 82.410 37.002 1.00 0.00 H new ATOM 0 HH TYR A 62 89.417 84.087 36.848 1.00 0.00 H new ATOM 1017 N LEU A 63 80.980 82.390 34.370 1.00 0.00 N ATOM 1018 CA LEU A 63 80.070 81.710 33.450 1.00 0.00 C ATOM 1019 C LEU A 63 80.180 82.100 31.970 1.00 0.00 C ATOM 1020 O LEU A 63 80.070 83.300 31.640 1.00 0.00 O ATOM 1021 CB LEU A 63 78.650 81.900 33.970 1.00 0.00 C ATOM 1022 CG LEU A 63 77.610 81.340 33.000 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.750 79.840 32.890 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.240 81.680 33.470 1.00 0.00 C ATOM 0 H LEU A 63 80.949 83.407 34.304 1.00 0.00 H new ATOM 0 HA LEU A 63 80.365 80.661 33.442 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.548 81.407 34.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.461 82.961 34.132 1.00 0.00 H new ATOM 0 HG LEU A 63 77.775 81.785 32.019 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.003 79.455 32.196 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.747 79.593 32.524 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.601 79.388 33.871 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.506 81.277 32.773 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.077 81.249 34.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.132 82.763 33.524 1.00 0.00 H new ATOM 1036 N ASP A 64 80.180 81.110 31.090 1.00 0.00 N ATOM 1037 CA ASP A 64 80.150 81.280 29.630 1.00 0.00 C ATOM 1038 C ASP A 64 79.670 80.060 28.790 1.00 0.00 C ATOM 1039 O ASP A 64 79.830 78.910 29.150 1.00 0.00 O ATOM 1040 CB ASP A 64 81.570 81.700 29.240 1.00 0.00 C ATOM 1041 CG ASP A 64 81.600 82.250 27.810 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.480 82.480 27.340 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.650 82.640 27.270 1.00 0.00 O ATOM 0 H ASP A 64 80.201 80.130 31.374 1.00 0.00 H new ATOM 0 HA ASP A 64 79.389 82.024 29.393 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.934 82.458 29.934 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.242 80.846 29.320 1.00 0.00 H new ATOM 1048 N GLU A 65 78.960 80.250 27.640 1.00 0.00 N ATOM 1049 CA GLU A 65 78.470 79.110 26.900 1.00 0.00 C ATOM 1050 C GLU A 65 79.510 78.110 26.410 1.00 0.00 C ATOM 1051 O GLU A 65 80.690 78.440 26.240 1.00 0.00 O ATOM 1052 CB GLU A 65 77.640 79.560 25.750 1.00 0.00 C ATOM 1053 CG GLU A 65 76.380 80.300 26.150 1.00 0.00 C ATOM 1054 CD GLU A 65 75.540 80.710 24.940 1.00 0.00 C ATOM 1055 OE1 GLU A 65 75.930 80.540 23.760 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.390 81.210 25.060 1.00 0.00 O ATOM 0 H GLU A 65 78.734 81.160 27.238 1.00 0.00 H new ATOM 0 HA GLU A 65 77.884 78.560 27.636 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.242 80.207 25.112 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.364 78.691 25.152 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.783 79.668 26.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.649 81.189 26.721 1.00 0.00 H new ATOM 1063 N VAL A 66 79.090 76.900 26.130 1.00 0.00 N ATOM 1064 CA VAL A 66 79.830 76.050 25.190 1.00 0.00 C ATOM 1065 C VAL A 66 79.550 76.590 23.790 1.00 0.00 C ATOM 1066 O VAL A 66 78.370 76.810 23.540 1.00 0.00 O ATOM 1067 CB VAL A 66 79.430 74.560 25.310 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.250 73.740 24.310 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.710 73.990 26.700 1.00 0.00 C ATOM 0 H VAL A 66 78.253 76.474 26.526 1.00 0.00 H new ATOM 0 HA VAL A 66 80.896 76.084 25.414 1.00 0.00 H new ATOM 0 HB VAL A 66 78.359 74.500 25.114 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.974 72.689 24.389 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.049 74.093 23.299 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.311 73.854 24.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.411 72.942 26.730 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.775 74.070 26.918 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.144 74.550 27.444 1.00 0.00 H new ATOM 1079 N ARG A 67 80.400 76.690 22.790 1.00 0.00 N ATOM 1080 CA ARG A 67 79.970 76.630 21.360 1.00 0.00 C ATOM 1081 C ARG A 67 79.940 75.250 20.660 1.00 0.00 C ATOM 1082 O ARG A 67 80.630 74.980 19.730 1.00 0.00 O ATOM 1083 CB ARG A 67 80.800 77.590 20.540 1.00 0.00 C ATOM 1084 CG ARG A 67 80.590 79.020 20.980 1.00 0.00 C ATOM 1085 CD ARG A 67 79.230 79.560 20.750 1.00 0.00 C ATOM 1086 NE ARG A 67 79.020 80.910 21.220 1.00 0.00 N ATOM 1087 CZ ARG A 67 77.870 81.610 21.150 1.00 0.00 C ATOM 1088 NH1 ARG A 67 76.800 80.980 20.660 1.00 0.00 N ATOM 1089 NH2 ARG A 67 77.740 82.820 21.580 1.00 0.00 N ATOM 0 H ARG A 67 81.405 76.815 22.916 1.00 0.00 H new ATOM 0 HA ARG A 67 78.917 76.908 21.409 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.855 77.331 20.632 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.538 77.490 19.487 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.817 79.092 22.044 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.307 79.653 20.457 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.018 79.527 19.681 1.00 0.00 H new ATOM 0 HD3 ARG A 67 78.508 78.905 21.238 1.00 0.00 H new ATOM 0 HE ARG A 67 79.819 81.379 21.646 1.00 0.00 H new ATOM 0 HH11 ARG A 67 76.874 80.009 20.357 1.00 0.00 H new ATOM 0 HH12 ARG A 67 75.908 81.470 20.588 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.535 83.300 22.002 1.00 0.00 H new ATOM 0 HH22 ARG A 67 76.842 83.297 21.498 1.00 0.00 H new ATOM 1103 N VAL A 68 79.110 74.320 21.170 1.00 0.00 N ATOM 1104 CA VAL A 68 78.100 73.510 20.440 1.00 0.00 C ATOM 1105 C VAL A 68 76.720 74.170 20.580 1.00 0.00 C ATOM 1106 O VAL A 68 75.700 73.640 20.220 1.00 0.00 O ATOM 1107 CB VAL A 68 78.050 72.080 21.000 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.400 71.380 20.880 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.660 72.160 22.470 1.00 0.00 C ATOM 0 H VAL A 68 79.123 74.096 22.165 1.00 0.00 H new ATOM 0 HA VAL A 68 78.379 73.461 19.388 1.00 0.00 H new ATOM 0 HB VAL A 68 77.324 71.504 20.427 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.324 70.371 21.287 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.691 71.327 19.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.151 71.940 21.437 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.618 71.155 22.890 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.400 72.749 23.011 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.682 72.633 22.562 1.00 0.00 H new ATOM 1119 N SER A 69 76.690 75.370 21.160 1.00 0.00 N ATOM 1120 CA SER A 69 75.510 76.180 21.450 1.00 0.00 C ATOM 1121 C SER A 69 74.770 76.600 20.190 1.00 0.00 C ATOM 1122 O SER A 69 73.560 76.590 20.130 1.00 0.00 O ATOM 1123 CB SER A 69 75.890 77.430 22.210 1.00 0.00 C ATOM 1124 OG SER A 69 76.710 78.190 21.390 1.00 0.00 O ATOM 0 H SER A 69 77.549 75.832 21.459 1.00 0.00 H new ATOM 0 HA SER A 69 74.853 75.551 22.051 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.000 77.994 22.488 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.407 77.173 23.135 1.00 0.00 H new ATOM 0 HG SER A 69 77.036 78.970 21.886 1.00 0.00 H new ATOM 1130 N THR A 70 75.540 77.010 19.200 1.00 0.00 N ATOM 1131 CA THR A 70 75.070 77.410 17.900 1.00 0.00 C ATOM 1132 C THR A 70 74.400 76.230 17.220 1.00 0.00 C ATOM 1133 O THR A 70 73.500 76.500 16.470 1.00 0.00 O ATOM 1134 CB THR A 70 76.220 77.880 17.010 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.180 76.850 16.880 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.910 79.100 17.630 1.00 0.00 C ATOM 0 H THR A 70 76.554 77.074 19.291 1.00 0.00 H new ATOM 0 HA THR A 70 74.369 78.233 18.040 1.00 0.00 H new ATOM 0 HB THR A 70 75.810 78.141 16.035 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.913 77.157 16.307 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.727 79.423 16.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 76.189 79.911 17.736 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.305 78.835 18.611 1.00 0.00 H new ATOM 1144 N ASP A 71 74.840 75.020 17.410 1.00 0.00 N ATOM 1145 CA ASP A 71 74.090 73.840 17.000 1.00 0.00 C ATOM 1146 C ASP A 71 73.040 73.370 18.000 1.00 0.00 C ATOM 1147 O ASP A 71 71.930 73.090 17.540 1.00 0.00 O ATOM 1148 CB ASP A 71 75.070 72.710 16.780 1.00 0.00 C ATOM 1149 CG ASP A 71 75.790 73.020 15.460 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.390 73.840 14.700 1.00 0.00 O ATOM 1151 OD2 ASP A 71 76.900 72.380 15.300 1.00 0.00 O ATOM 0 H ASP A 71 75.733 74.809 17.855 1.00 0.00 H new ATOM 0 HA ASP A 71 73.549 74.121 16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.780 72.644 17.605 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.554 71.752 16.726 1.00 0.00 H new ATOM 1156 N GLU A 72 73.270 73.160 19.260 1.00 0.00 N ATOM 1157 CA GLU A 72 72.410 72.300 20.050 1.00 0.00 C ATOM 1158 C GLU A 72 71.850 73.140 21.180 1.00 0.00 C ATOM 1159 O GLU A 72 70.750 72.870 21.610 1.00 0.00 O ATOM 1160 CB GLU A 72 73.110 71.070 20.600 1.00 0.00 C ATOM 1161 CG GLU A 72 73.630 70.140 19.490 1.00 0.00 C ATOM 1162 CD GLU A 72 74.370 68.970 20.070 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.450 69.020 21.330 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.950 68.180 19.290 1.00 0.00 O ATOM 0 H GLU A 72 74.048 73.570 19.776 1.00 0.00 H new ATOM 0 HA GLU A 72 71.623 71.912 19.403 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.944 71.382 21.228 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.419 70.518 21.238 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.794 69.784 18.888 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.288 70.697 18.823 1.00 0.00 H new ATOM 1171 N LYS A 73 72.570 74.190 21.590 1.00 0.00 N ATOM 1172 CA LYS A 73 72.230 75.280 22.550 1.00 0.00 C ATOM 1173 C LYS A 73 71.740 74.760 23.910 1.00 0.00 C ATOM 1174 O LYS A 73 70.810 75.250 24.500 1.00 0.00 O ATOM 1175 CB LYS A 73 71.190 76.230 21.970 1.00 0.00 C ATOM 1176 CG LYS A 73 70.900 77.460 22.800 1.00 0.00 C ATOM 1177 CD LYS A 73 71.410 78.710 22.150 1.00 0.00 C ATOM 1178 CE LYS A 73 71.130 79.920 23.030 1.00 0.00 C ATOM 1179 NZ LYS A 73 71.860 79.810 24.310 1.00 0.00 N ATOM 0 H LYS A 73 73.513 74.324 21.224 1.00 0.00 H new ATOM 0 HA LYS A 73 73.163 75.817 22.718 1.00 0.00 H new ATOM 0 HB2 LYS A 73 71.525 76.549 20.983 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.259 75.680 21.829 1.00 0.00 H new ATOM 0 HG2 LYS A 73 69.825 77.546 22.957 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.358 77.350 23.783 1.00 0.00 H new ATOM 0 HD2 LYS A 73 72.482 78.623 21.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.934 78.842 21.178 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.429 80.831 22.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.060 79.998 23.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 72.350 80.705 24.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 71.188 79.607 25.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 72.557 79.040 24.247 1.00 0.00 H new ATOM 1193 N ASP A 74 72.450 73.770 24.430 1.00 0.00 N ATOM 1194 CA ASP A 74 72.090 73.150 25.720 1.00 0.00 C ATOM 1195 C ASP A 74 72.950 73.610 26.890 1.00 0.00 C ATOM 1196 O ASP A 74 72.410 73.840 28.000 1.00 0.00 O ATOM 1197 CB ASP A 74 72.290 71.650 25.540 1.00 0.00 C ATOM 1198 CG ASP A 74 71.050 71.110 24.850 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.000 71.430 25.320 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.280 70.290 23.880 1.00 0.00 O ATOM 0 H ASP A 74 73.279 73.372 23.989 1.00 0.00 H new ATOM 0 HA ASP A 74 71.067 73.435 25.964 1.00 0.00 H new ATOM 0 HB2 ASP A 74 73.180 71.450 24.943 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.436 71.163 26.504 1.00 0.00 H new ATOM 1205 N PHE A 75 74.250 73.740 26.680 1.00 0.00 N ATOM 1206 CA PHE A 75 75.340 73.620 27.660 1.00 0.00 C ATOM 1207 C PHE A 75 75.940 74.980 27.940 1.00 0.00 C ATOM 1208 O PHE A 75 76.490 75.640 27.080 1.00 0.00 O ATOM 1209 CB PHE A 75 76.450 72.680 27.190 1.00 0.00 C ATOM 1210 CG PHE A 75 76.080 71.230 27.270 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.470 70.610 26.210 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.240 70.540 28.450 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.180 69.240 26.250 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.920 69.190 28.570 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.500 68.570 27.430 1.00 0.00 C ATOM 0 H PHE A 75 74.609 73.949 25.748 1.00 0.00 H new ATOM 0 HA PHE A 75 74.902 73.200 28.565 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.710 72.924 26.160 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.341 72.853 27.793 1.00 0.00 H new ATOM 0 HD1 PHE A 75 75.210 71.185 25.333 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.627 71.063 29.312 1.00 0.00 H new ATOM 0 HE1 PHE A 75 74.732 68.729 25.410 1.00 0.00 H new ATOM 0 HE2 PHE A 75 76.000 68.665 29.510 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.410 67.494 27.442 1.00 0.00 H new ATOM 1225 N LEU A 76 75.810 75.390 29.210 1.00 0.00 N ATOM 1226 CA LEU A 76 76.700 76.370 29.790 1.00 0.00 C ATOM 1227 C LEU A 76 77.950 75.680 30.270 1.00 0.00 C ATOM 1228 O LEU A 76 77.830 74.530 30.750 1.00 0.00 O ATOM 1229 CB LEU A 76 76.000 77.080 30.910 1.00 0.00 C ATOM 1230 CG LEU A 76 74.760 77.850 30.540 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.120 78.430 31.790 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.110 79.000 29.610 1.00 0.00 C ATOM 0 H LEU A 76 75.090 75.048 29.846 1.00 0.00 H new ATOM 0 HA LEU A 76 76.984 77.113 29.045 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.732 76.343 31.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.706 77.770 31.372 1.00 0.00 H new ATOM 0 HG LEU A 76 74.071 77.167 30.043 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.223 78.986 31.515 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.852 77.621 32.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.825 79.099 32.283 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.204 79.547 29.351 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.809 79.671 30.109 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.568 78.607 28.702 1.00 0.00 H new ATOM 1244 N TYR A 77 79.090 76.290 30.110 1.00 0.00 N ATOM 1245 CA TYR A 77 80.280 75.920 30.850 1.00 0.00 C ATOM 1246 C TYR A 77 80.520 76.960 31.940 1.00 0.00 C ATOM 1247 O TYR A 77 80.830 78.140 31.700 1.00 0.00 O ATOM 1248 CB TYR A 77 81.490 75.770 29.940 1.00 0.00 C ATOM 1249 CG TYR A 77 82.670 75.160 30.680 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.550 73.920 31.320 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.890 75.850 30.760 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.630 73.370 32.020 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.990 75.300 31.420 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.850 74.070 32.070 1.00 0.00 C ATOM 1255 OH TYR A 77 85.910 73.580 32.720 1.00 0.00 O ATOM 0 H TYR A 77 79.229 77.064 29.460 1.00 0.00 H new ATOM 0 HA TYR A 77 80.127 74.943 31.309 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.230 75.143 29.087 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.772 76.746 29.544 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.614 73.383 31.273 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.979 76.824 30.302 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.528 72.417 32.517 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.938 75.818 31.429 1.00 0.00 H new ATOM 0 HH TYR A 77 86.660 74.206 32.641 1.00 0.00 H new ATOM 1265 N GLU A 78 80.400 76.520 33.200 1.00 0.00 N ATOM 1266 CA GLU A 78 80.470 77.350 34.410 1.00 0.00 C ATOM 1267 C GLU A 78 81.510 76.910 35.460 1.00 0.00 C ATOM 1268 O GLU A 78 81.590 75.770 35.870 1.00 0.00 O ATOM 1269 CB GLU A 78 79.110 77.310 35.070 1.00 0.00 C ATOM 1270 CG GLU A 78 79.010 78.080 36.360 1.00 0.00 C ATOM 1271 CD GLU A 78 77.640 77.960 37.010 1.00 0.00 C ATOM 1272 OE1 GLU A 78 76.760 77.330 36.370 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.480 78.600 38.070 1.00 0.00 O ATOM 0 H GLU A 78 80.245 75.535 33.413 1.00 0.00 H new ATOM 0 HA GLU A 78 80.778 78.341 34.078 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.371 77.702 34.371 1.00 0.00 H new ATOM 0 HB3 GLU A 78 78.846 76.270 35.263 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.770 77.719 37.054 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.226 79.131 36.169 1.00 0.00 H new ATOM 1280 N LEU A 79 82.410 77.810 35.940 1.00 0.00 N ATOM 1281 CA LEU A 79 83.620 77.350 36.610 1.00 0.00 C ATOM 1282 C LEU A 79 83.570 77.820 38.030 1.00 0.00 C ATOM 1283 O LEU A 79 83.370 79.040 38.170 1.00 0.00 O ATOM 1284 CB LEU A 79 84.920 77.820 35.940 1.00 0.00 C ATOM 1285 CG LEU A 79 85.050 77.300 34.520 1.00 0.00 C ATOM 1286 CD1 LEU A 79 83.940 77.840 33.630 1.00 0.00 C ATOM 1287 CD2 LEU A 79 86.350 77.770 33.930 1.00 0.00 C ATOM 0 H LEU A 79 82.312 78.823 35.871 1.00 0.00 H new ATOM 0 HA LEU A 79 83.640 76.262 36.548 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.949 78.910 35.931 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.773 77.483 36.529 1.00 0.00 H new ATOM 0 HG LEU A 79 84.996 76.212 34.565 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.061 77.449 32.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.973 77.530 34.026 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.990 78.929 33.606 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.443 77.396 32.910 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.372 78.860 33.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.179 77.395 34.531 1.00 0.00 H new ATOM 1299 N HIS A 80 83.760 77.010 39.010 1.00 0.00 N ATOM 1300 CA HIS A 80 83.560 77.420 40.390 1.00 0.00 C ATOM 1301 C HIS A 80 84.920 77.420 41.010 1.00 0.00 C ATOM 1302 O HIS A 80 85.640 76.420 41.110 1.00 0.00 O ATOM 1303 CB HIS A 80 82.580 76.550 41.170 1.00 0.00 C ATOM 1304 CG HIS A 80 81.270 76.230 40.520 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.390 75.270 40.990 1.00 0.00 N ATOM 1306 CD2 HIS A 80 80.720 76.790 39.400 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.360 75.230 40.130 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.540 76.150 39.170 1.00 0.00 N ATOM 0 H HIS A 80 84.058 76.041 38.898 1.00 0.00 H new ATOM 0 HA HIS A 80 83.093 78.404 40.417 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.078 75.609 41.404 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.373 77.045 42.119 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.503 74.702 41.829 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.142 77.589 38.809 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.516 74.560 40.200 1.00 0.00 H new ATOM 1316 N ILE A 81 85.320 78.640 41.400 1.00 0.00 N ATOM 1317 CA ILE A 81 86.630 78.950 41.920 1.00 0.00 C ATOM 1318 C ILE A 81 87.740 78.450 41.020 1.00 0.00 C ATOM 1319 O ILE A 81 88.640 77.800 41.550 1.00 0.00 O ATOM 1320 CB ILE A 81 86.800 78.390 43.350 1.00 0.00 C ATOM 1321 CG1 ILE A 81 85.990 79.170 44.320 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.190 78.580 43.950 1.00 0.00 C ATOM 1323 CD1 ILE A 81 85.770 78.500 45.640 1.00 0.00 C ATOM 0 H ILE A 81 84.708 79.455 41.354 1.00 0.00 H new ATOM 0 HA ILE A 81 86.707 80.037 41.955 1.00 0.00 H new ATOM 0 HB ILE A 81 86.535 77.340 43.225 1.00 0.00 H new ATOM 0 HG12 ILE A 81 86.480 80.128 44.493 1.00 0.00 H new ATOM 0 HG13 ILE A 81 85.020 79.384 43.872 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.214 78.156 44.954 1.00 0.00 H new ATOM 0 HG22 ILE A 81 88.928 78.076 43.326 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.423 79.644 44.000 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.169 79.146 46.280 1.00 0.00 H new ATOM 0 HD12 ILE A 81 85.249 77.555 45.486 1.00 0.00 H new ATOM 0 HD13 ILE A 81 86.732 78.311 46.117 1.00 0.00 H new ATOM 1335 N ILE A 82 87.770 78.510 39.720 1.00 0.00 N ATOM 1336 CA ILE A 82 88.920 77.950 38.960 1.00 0.00 C ATOM 1337 C ILE A 82 89.870 79.050 38.570 1.00 0.00 C ATOM 1338 O ILE A 82 91.010 78.510 38.070 1.00 0.00 O ATOM 1339 CB ILE A 82 88.470 77.080 37.810 1.00 0.00 C ATOM 1340 CG1 ILE A 82 87.760 75.860 38.370 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.650 76.600 36.940 1.00 0.00 C ATOM 1342 CD1 ILE A 82 87.150 75.060 37.240 1.00 0.00 C ATOM 1343 OXT ILE A 82 89.640 80.190 38.660 1.00 0.00 O ATOM 0 H ILE A 82 87.039 78.928 39.145 1.00 0.00 H new ATOM 0 HA ILE A 82 89.479 77.275 39.608 1.00 0.00 H new ATOM 0 HB ILE A 82 87.809 77.678 37.182 1.00 0.00 H new ATOM 0 HG12 ILE A 82 88.464 75.242 38.927 1.00 0.00 H new ATOM 0 HG13 ILE A 82 86.984 76.169 39.070 1.00 0.00 H new ATOM 0 HG21 ILE A 82 89.274 75.978 36.127 1.00 0.00 H new ATOM 0 HG22 ILE A 82 90.171 77.463 36.525 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.340 76.019 37.552 1.00 0.00 H new ATOM 0 HD11 ILE A 82 86.642 74.186 37.646 1.00 0.00 H new ATOM 0 HD12 ILE A 82 86.433 75.679 36.702 1.00 0.00 H new ATOM 0 HD13 ILE A 82 87.936 74.738 36.557 1.00 0.00 H new TER 1355 ILE A 82