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 69 SER OG : rot 169:sc= -0.289 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.127 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.135 USER MOD Set 2.2: A 42 ASN : amide:sc= 0.136 X(o=0.27,f=0.25) USER MOD Set 3.1: A 34 SER OG : rot 170:sc= 0.348 USER MOD Set 3.2: A 77 TYR OH : rot 30:sc= 0.337 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 96:sc= 0.0841 USER MOD Single : A 2 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=-0.0033) USER MOD Single : A 3 MET CE :methyl -175:sc= -2.89 (180deg=-3.23) 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= -0.565 X(o=-0.57,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=0.000271 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.137 F(o=-1.6!,f=-0.14) USER MOD Single : A 29 SER OG : rot -28:sc= 0.842 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 130:sc= -1.6! USER MOD Single : A 41 THR OG1 : rot 12:sc= 0.877 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.17 F(o=-2,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -106:sc= -0.296 (180deg=-3.71!) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0971 (180deg=-0.613) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= -0.293 (180deg=-2.77!) USER MOD Single : A 59 HIS : no HD1:sc= -0.781 X(o=-0.78,f=-0.58) USER MOD Single : A 60 THR OG1 : rot 84:sc= 0.46 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -9.34! C(o=-9.3!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 74.600 61.970 37.540 1.00 0.00 N ATOM 2 CA SER A 1 75.600 63.030 37.360 1.00 0.00 C ATOM 3 C SER A 1 76.980 62.450 37.260 1.00 0.00 C ATOM 4 O SER A 1 77.530 62.010 38.230 1.00 0.00 O ATOM 5 CB SER A 1 75.540 63.960 38.570 1.00 0.00 C ATOM 6 OG SER A 1 76.460 64.980 38.470 1.00 0.00 O ATOM 0 H1 SER A 1 73.653 62.394 37.607 1.00 0.00 H new ATOM 0 H2 SER A 1 74.632 61.321 36.728 1.00 0.00 H new ATOM 0 H3 SER A 1 74.806 61.443 38.413 1.00 0.00 H new ATOM 0 HA SER A 1 75.383 63.572 36.440 1.00 0.00 H new ATOM 0 HB2 SER A 1 74.538 64.380 38.658 1.00 0.00 H new ATOM 0 HB3 SER A 1 75.727 63.388 39.479 1.00 0.00 H new ATOM 0 HG SER A 1 76.027 65.775 38.095 1.00 0.00 H new ATOM 14 N HIS A 2 77.510 62.310 36.000 1.00 0.00 N ATOM 15 CA HIS A 2 78.750 61.610 35.890 1.00 0.00 C ATOM 16 C HIS A 2 79.870 62.160 36.770 1.00 0.00 C ATOM 17 O HIS A 2 80.420 61.340 37.540 1.00 0.00 O ATOM 18 CB HIS A 2 79.060 61.520 34.400 1.00 0.00 C ATOM 19 CG HIS A 2 78.010 60.730 33.650 1.00 0.00 C ATOM 20 ND1 HIS A 2 77.880 59.350 33.760 1.00 0.00 N ATOM 21 CD2 HIS A 2 77.040 61.190 32.810 1.00 0.00 C ATOM 22 CE1 HIS A 2 76.870 59.000 32.960 1.00 0.00 C ATOM 23 NE2 HIS A 2 76.340 60.080 32.380 1.00 0.00 N ATOM 0 H HIS A 2 77.104 62.658 35.132 1.00 0.00 H new ATOM 0 HA HIS A 2 78.663 60.604 36.302 1.00 0.00 H new ATOM 0 HB2 HIS A 2 79.125 62.524 33.982 1.00 0.00 H new ATOM 0 HB3 HIS A 2 80.035 61.052 34.260 1.00 0.00 H new ATOM 0 HD2 HIS A 2 76.856 62.218 32.535 1.00 0.00 H new ATOM 0 HE1 HIS A 2 76.530 57.987 32.804 1.00 0.00 H new ATOM 0 HE2 HIS A 2 75.553 60.084 31.731 1.00 0.00 H new ATOM 31 N MET A 3 80.290 63.400 36.670 1.00 0.00 N ATOM 32 CA MET A 3 81.090 64.060 37.730 1.00 0.00 C ATOM 33 C MET A 3 80.470 65.410 38.020 1.00 0.00 C ATOM 34 O MET A 3 79.770 65.610 38.990 1.00 0.00 O ATOM 35 CB MET A 3 82.560 64.260 37.340 1.00 0.00 C ATOM 36 CG MET A 3 83.350 64.830 38.510 1.00 0.00 C ATOM 37 SD MET A 3 85.040 65.130 38.100 1.00 0.00 S ATOM 38 CE MET A 3 84.920 66.570 37.040 1.00 0.00 C ATOM 0 H MET A 3 80.099 63.995 35.864 1.00 0.00 H new ATOM 0 HA MET A 3 81.080 63.410 38.605 1.00 0.00 H new ATOM 0 HB2 MET A 3 82.993 63.309 37.031 1.00 0.00 H new ATOM 0 HB3 MET A 3 82.627 64.934 36.486 1.00 0.00 H new ATOM 0 HG2 MET A 3 82.888 65.761 38.837 1.00 0.00 H new ATOM 0 HG3 MET A 3 83.300 64.137 39.350 1.00 0.00 H new ATOM 0 HE1 MET A 3 85.905 66.810 36.640 1.00 0.00 H new ATOM 0 HE2 MET A 3 84.236 66.361 36.218 1.00 0.00 H new ATOM 0 HE3 MET A 3 84.546 67.416 37.617 1.00 0.00 H new ATOM 48 N LYS A 4 80.450 66.220 36.970 1.00 0.00 N ATOM 49 CA LYS A 4 80.490 67.650 37.000 1.00 0.00 C ATOM 50 C LYS A 4 79.350 68.310 36.280 1.00 0.00 C ATOM 51 O LYS A 4 79.560 69.220 35.550 1.00 0.00 O ATOM 52 CB LYS A 4 81.820 68.120 36.380 1.00 0.00 C ATOM 53 CG LYS A 4 82.030 67.640 34.950 1.00 0.00 C ATOM 54 CD LYS A 4 83.320 68.180 34.350 1.00 0.00 C ATOM 55 CE LYS A 4 83.500 67.660 32.930 1.00 0.00 C ATOM 56 NZ LYS A 4 84.760 68.190 32.380 1.00 0.00 N ATOM 0 H LYS A 4 80.402 65.857 36.018 1.00 0.00 H new ATOM 0 HA LYS A 4 80.402 67.945 38.046 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.854 69.209 36.397 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.645 67.765 36.998 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.051 66.550 34.933 1.00 0.00 H new ATOM 0 HG3 LYS A 4 81.186 67.952 34.335 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.299 69.270 34.346 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.169 67.880 34.965 1.00 0.00 H new ATOM 0 HE2 LYS A 4 83.517 66.570 32.928 1.00 0.00 H new ATOM 0 HE3 LYS A 4 82.659 67.967 32.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 84.890 67.839 31.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 84.725 69.229 32.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 85.556 67.876 32.971 1.00 0.00 H new ATOM 70 N LEU A 5 78.140 67.660 36.240 1.00 0.00 N ATOM 71 CA LEU A 5 77.080 68.260 35.450 1.00 0.00 C ATOM 72 C LEU A 5 75.910 68.510 36.400 1.00 0.00 C ATOM 73 O LEU A 5 75.770 67.900 37.430 1.00 0.00 O ATOM 74 CB LEU A 5 76.700 67.460 34.160 1.00 0.00 C ATOM 75 CG LEU A 5 77.760 67.220 33.160 1.00 0.00 C ATOM 76 CD1 LEU A 5 78.890 66.420 33.730 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.220 66.480 31.940 1.00 0.00 C ATOM 0 H LEU A 5 77.911 66.788 36.716 1.00 0.00 H new ATOM 0 HA LEU A 5 77.425 69.203 35.027 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.307 66.492 34.470 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.887 67.990 33.665 1.00 0.00 H new ATOM 0 HG LEU A 5 78.124 68.204 32.864 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.649 66.265 32.963 1.00 0.00 H new ATOM 0 HD12 LEU A 5 79.328 66.957 34.571 1.00 0.00 H new ATOM 0 HD13 LEU A 5 78.516 65.455 34.071 1.00 0.00 H new ATOM 0 HD21 LEU A 5 78.027 66.320 31.225 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.813 65.517 32.249 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.434 67.073 31.473 1.00 0.00 H new ATOM 89 N VAL A 6 75.020 69.410 35.950 1.00 0.00 N ATOM 90 CA VAL A 6 73.700 69.680 36.500 1.00 0.00 C ATOM 91 C VAL A 6 72.670 69.570 35.380 1.00 0.00 C ATOM 92 O VAL A 6 72.960 69.790 34.200 1.00 0.00 O ATOM 93 CB VAL A 6 73.650 71.090 37.110 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.230 71.390 37.550 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.520 71.160 38.330 1.00 0.00 C ATOM 0 H VAL A 6 75.225 69.999 35.143 1.00 0.00 H new ATOM 0 HA VAL A 6 73.481 68.956 37.285 1.00 0.00 H new ATOM 0 HB VAL A 6 73.993 71.803 36.361 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.187 72.389 37.984 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.564 71.339 36.689 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.917 70.657 38.294 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.475 72.164 38.752 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.169 70.440 39.069 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.549 70.927 38.057 1.00 0.00 H new ATOM 105 N LEU A 7 71.440 69.210 35.740 1.00 0.00 N ATOM 106 CA LEU A 7 70.310 69.040 34.820 1.00 0.00 C ATOM 107 C LEU A 7 69.260 70.020 35.210 1.00 0.00 C ATOM 108 O LEU A 7 68.930 70.130 36.370 1.00 0.00 O ATOM 109 CB LEU A 7 69.730 67.600 34.890 1.00 0.00 C ATOM 110 CG LEU A 7 70.760 66.520 34.600 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.160 65.130 34.810 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.120 66.730 33.140 1.00 0.00 C ATOM 0 H LEU A 7 71.191 69.022 36.711 1.00 0.00 H new ATOM 0 HA LEU A 7 70.648 69.207 33.797 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.309 67.434 35.882 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.910 67.511 34.177 1.00 0.00 H new ATOM 0 HG LEU A 7 71.626 66.583 35.259 1.00 0.00 H new ATOM 0 HD11 LEU A 7 70.914 64.372 34.597 1.00 0.00 H new ATOM 0 HD12 LEU A 7 69.827 65.030 35.843 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.311 64.995 34.140 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.863 65.991 32.838 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.227 66.618 32.525 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.529 67.731 33.007 1.00 0.00 H new ATOM 124 N ALA A 8 68.650 70.710 34.210 1.00 0.00 N ATOM 125 CA ALA A 8 67.430 71.470 34.290 1.00 0.00 C ATOM 126 C ALA A 8 66.230 70.590 34.380 1.00 0.00 C ATOM 127 O ALA A 8 66.240 69.550 33.700 1.00 0.00 O ATOM 128 CB ALA A 8 67.270 72.320 33.050 1.00 0.00 C ATOM 0 H ALA A 8 69.048 70.734 33.271 1.00 0.00 H new ATOM 0 HA ALA A 8 67.500 72.083 35.189 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.345 72.892 33.118 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.114 73.004 32.966 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.235 71.677 32.170 1.00 0.00 H new ATOM 134 N LYS A 9 65.260 70.960 35.140 1.00 0.00 N ATOM 135 CA LYS A 9 63.940 70.360 35.370 1.00 0.00 C ATOM 136 C LYS A 9 63.000 70.390 34.200 1.00 0.00 C ATOM 137 O LYS A 9 62.220 69.490 34.130 1.00 0.00 O ATOM 138 CB LYS A 9 63.240 71.120 36.470 1.00 0.00 C ATOM 139 CG LYS A 9 62.930 72.560 36.060 1.00 0.00 C ATOM 140 CD LYS A 9 62.230 73.300 37.190 1.00 0.00 C ATOM 141 CE LYS A 9 61.940 74.730 36.770 1.00 0.00 C ATOM 142 NZ LYS A 9 61.350 75.460 37.900 1.00 0.00 N ATOM 0 H LYS A 9 65.363 71.804 35.703 1.00 0.00 H new ATOM 0 HA LYS A 9 64.154 69.317 35.602 1.00 0.00 H new ATOM 0 HB2 LYS A 9 62.313 70.609 36.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.865 71.123 37.363 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.854 73.076 35.798 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.300 72.563 35.171 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.301 72.792 37.448 1.00 0.00 H new ATOM 0 HD3 LYS A 9 62.855 73.294 38.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 62.859 75.219 36.447 1.00 0.00 H new ATOM 0 HE3 LYS A 9 61.258 74.740 35.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 61.151 76.440 37.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.465 74.997 38.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 62.016 75.461 38.698 1.00 0.00 H new ATOM 156 N ASN A 10 63.020 71.300 33.220 1.00 0.00 N ATOM 157 CA ASN A 10 61.880 71.320 32.330 1.00 0.00 C ATOM 158 C ASN A 10 62.060 70.410 31.190 1.00 0.00 C ATOM 159 O ASN A 10 61.080 70.200 30.550 1.00 0.00 O ATOM 160 CB ASN A 10 61.590 72.700 31.830 1.00 0.00 C ATOM 161 CG ASN A 10 61.160 73.590 32.960 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.170 73.280 33.740 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.740 74.470 33.160 1.00 0.00 N ATOM 0 H ASN A 10 63.758 71.980 33.038 1.00 0.00 H new ATOM 0 HA ASN A 10 61.029 70.976 32.917 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.478 73.114 31.351 1.00 0.00 H new ATOM 0 HB3 ASN A 10 60.808 72.661 31.072 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.513 75.060 33.961 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.519 74.717 32.549 1.00 0.00 H new ATOM 170 N THR A 11 63.190 69.770 30.880 1.00 0.00 N ATOM 171 CA THR A 11 63.150 68.620 29.990 1.00 0.00 C ATOM 172 C THR A 11 63.320 67.200 30.560 1.00 0.00 C ATOM 173 O THR A 11 62.420 66.440 30.510 1.00 0.00 O ATOM 174 CB THR A 11 64.120 68.890 28.880 1.00 0.00 C ATOM 175 OG1 THR A 11 63.720 70.090 28.240 1.00 0.00 O ATOM 176 CG2 THR A 11 64.110 67.730 27.910 1.00 0.00 C ATOM 0 H THR A 11 64.117 70.023 31.223 1.00 0.00 H new ATOM 0 HA THR A 11 62.110 68.556 29.670 1.00 0.00 H new ATOM 0 HB THR A 11 65.135 68.999 29.262 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.340 70.293 27.508 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.815 67.925 27.102 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.399 66.817 28.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.109 67.610 27.496 1.00 0.00 H new ATOM 184 N ARG A 12 64.530 66.830 31.100 1.00 0.00 N ATOM 185 CA ARG A 12 64.670 65.600 31.860 1.00 0.00 C ATOM 186 C ARG A 12 63.770 65.280 33.060 1.00 0.00 C ATOM 187 O ARG A 12 63.180 64.230 33.090 1.00 0.00 O ATOM 188 CB ARG A 12 66.120 65.550 32.280 1.00 0.00 C ATOM 189 CG ARG A 12 67.030 65.530 31.080 1.00 0.00 C ATOM 190 CD ARG A 12 68.430 65.130 31.450 1.00 0.00 C ATOM 191 NE ARG A 12 69.340 65.270 30.320 1.00 0.00 N ATOM 192 CZ ARG A 12 70.590 64.810 30.310 1.00 0.00 C ATOM 193 NH1 ARG A 12 71.140 64.420 31.430 1.00 0.00 N ATOM 194 NH2 ARG A 12 71.260 64.720 29.220 1.00 0.00 N ATOM 0 H ARG A 12 65.388 67.374 31.009 1.00 0.00 H new ATOM 0 HA ARG A 12 64.317 64.829 31.175 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.352 66.414 32.902 1.00 0.00 H new ATOM 0 HB3 ARG A 12 66.295 64.663 32.889 1.00 0.00 H new ATOM 0 HG2 ARG A 12 66.637 64.835 30.337 1.00 0.00 H new ATOM 0 HG3 ARG A 12 67.044 66.517 30.617 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.779 65.746 32.279 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.435 64.097 31.797 1.00 0.00 H new ATOM 0 HE ARG A 12 68.999 65.749 29.487 1.00 0.00 H new ATOM 0 HH11 ARG A 12 70.612 64.469 32.302 1.00 0.00 H new ATOM 0 HH12 ARG A 12 72.097 64.066 31.432 1.00 0.00 H new ATOM 0 HH21 ARG A 12 70.837 65.004 28.336 1.00 0.00 H new ATOM 0 HH22 ARG A 12 72.216 64.365 29.237 1.00 0.00 H new ATOM 208 N LYS A 13 63.580 66.170 34.070 1.00 0.00 N ATOM 209 CA LYS A 13 62.720 65.960 35.230 1.00 0.00 C ATOM 210 C LYS A 13 62.930 64.710 36.080 1.00 0.00 C ATOM 211 O LYS A 13 61.980 64.060 36.430 1.00 0.00 O ATOM 212 CB LYS A 13 61.310 65.950 34.660 1.00 0.00 C ATOM 213 CG LYS A 13 60.780 67.270 34.230 1.00 0.00 C ATOM 214 CD LYS A 13 59.360 67.230 33.730 1.00 0.00 C ATOM 215 CE LYS A 13 58.910 68.620 33.270 1.00 0.00 C ATOM 216 NZ LYS A 13 57.510 68.560 32.820 1.00 0.00 N ATOM 0 H LYS A 13 64.044 67.078 34.085 1.00 0.00 H new ATOM 0 HA LYS A 13 62.953 66.752 35.942 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.288 65.274 33.805 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.637 65.536 35.411 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.839 67.964 35.069 1.00 0.00 H new ATOM 0 HG3 LYS A 13 61.420 67.667 33.442 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.280 66.524 32.903 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.701 66.872 34.520 1.00 0.00 H new ATOM 0 HE2 LYS A 13 59.010 69.335 34.087 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.549 68.971 32.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.205 69.504 32.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.428 67.890 32.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.906 68.243 33.605 1.00 0.00 H new ATOM 230 N SER A 14 64.190 64.340 36.450 1.00 0.00 N ATOM 231 CA SER A 14 64.290 63.120 37.210 1.00 0.00 C ATOM 232 C SER A 14 64.310 63.180 38.710 1.00 0.00 C ATOM 233 O SER A 14 63.840 62.370 39.350 1.00 0.00 O ATOM 234 CB SER A 14 65.490 62.320 36.770 1.00 0.00 C ATOM 235 OG SER A 14 66.660 62.980 37.070 1.00 0.00 O ATOM 0 H SER A 14 65.059 64.834 36.246 1.00 0.00 H new ATOM 0 HA SER A 14 63.331 62.658 36.977 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.482 61.346 37.260 1.00 0.00 H new ATOM 0 HB3 SER A 14 65.436 62.137 35.697 1.00 0.00 H new ATOM 0 HG SER A 14 67.424 62.441 36.777 1.00 0.00 H new ATOM 241 N ASP A 15 65.080 64.190 39.290 1.00 0.00 N ATOM 242 CA ASP A 15 64.890 64.910 40.510 1.00 0.00 C ATOM 243 C ASP A 15 65.700 66.230 40.390 1.00 0.00 C ATOM 244 O ASP A 15 66.470 66.560 41.340 1.00 0.00 O ATOM 245 CB ASP A 15 65.350 64.160 41.720 1.00 0.00 C ATOM 246 CG ASP A 15 66.820 63.800 41.800 1.00 0.00 C ATOM 247 OD1 ASP A 15 67.500 63.970 40.500 1.00 0.00 O ATOM 248 OD2 ASP A 15 67.330 63.360 42.600 1.00 0.00 O ATOM 0 H ASP A 15 65.925 64.511 38.818 1.00 0.00 H new ATOM 0 HA ASP A 15 63.822 65.082 40.645 1.00 0.00 H new ATOM 0 HB2 ASP A 15 65.100 64.754 42.599 1.00 0.00 H new ATOM 0 HB3 ASP A 15 64.773 63.237 41.784 1.00 0.00 H new ATOM 253 N ALA A 16 65.640 66.970 39.360 1.00 0.00 N ATOM 254 CA ALA A 16 66.850 67.790 39.020 1.00 0.00 C ATOM 255 C ALA A 16 66.800 68.850 40.040 1.00 0.00 C ATOM 256 O ALA A 16 67.870 69.310 40.410 1.00 0.00 O ATOM 257 CB ALA A 16 66.850 68.420 37.640 1.00 0.00 C ATOM 0 H ALA A 16 64.840 67.063 38.734 1.00 0.00 H new ATOM 0 HA ALA A 16 67.742 67.164 39.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 67.769 68.989 37.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 66.788 67.638 36.883 1.00 0.00 H new ATOM 0 HB3 ALA A 16 65.993 69.086 37.544 1.00 0.00 H new ATOM 263 N LYS A 17 65.600 69.310 40.400 1.00 0.00 N ATOM 264 CA LYS A 17 65.300 70.700 40.170 1.00 0.00 C ATOM 265 C LYS A 17 66.390 71.540 40.900 1.00 0.00 C ATOM 266 O LYS A 17 66.830 72.540 40.350 1.00 0.00 O ATOM 267 CB LYS A 17 63.900 71.050 40.650 1.00 0.00 C ATOM 268 CG LYS A 17 62.800 70.270 39.900 1.00 0.00 C ATOM 269 CD LYS A 17 61.430 70.610 40.410 1.00 0.00 C ATOM 270 CE LYS A 17 60.310 69.960 39.620 1.00 0.00 C ATOM 271 NZ LYS A 17 58.990 70.400 40.100 1.00 0.00 N ATOM 0 H LYS A 17 64.858 68.759 40.832 1.00 0.00 H new ATOM 0 HA LYS A 17 65.314 70.921 39.103 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.824 70.842 41.717 1.00 0.00 H new ATOM 0 HB3 LYS A 17 63.733 72.119 40.521 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.857 70.494 38.835 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.974 69.200 40.010 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.353 70.303 41.453 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.300 71.692 40.385 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.416 70.208 38.564 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.386 68.876 39.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 58.245 69.938 39.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 58.881 70.141 41.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 58.910 71.432 39.998 1.00 0.00 H new ATOM 285 N SER A 18 66.740 71.130 42.080 1.00 0.00 N ATOM 286 CA SER A 18 67.640 71.870 43.010 1.00 0.00 C ATOM 287 C SER A 18 69.170 71.860 42.800 1.00 0.00 C ATOM 288 O SER A 18 69.870 72.640 43.420 1.00 0.00 O ATOM 289 CB SER A 18 67.340 71.360 44.400 1.00 0.00 C ATOM 290 OG SER A 18 67.640 69.990 44.500 1.00 0.00 O ATOM 0 H SER A 18 66.414 70.244 42.467 1.00 0.00 H new ATOM 0 HA SER A 18 67.406 72.916 42.811 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.922 71.920 45.132 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.289 71.526 44.635 1.00 0.00 H new ATOM 0 HG SER A 18 67.441 69.677 45.407 1.00 0.00 H new ATOM 296 N VAL A 19 69.680 71.010 41.870 1.00 0.00 N ATOM 297 CA VAL A 19 71.050 70.500 41.880 1.00 0.00 C ATOM 298 C VAL A 19 72.150 71.510 41.660 1.00 0.00 C ATOM 299 O VAL A 19 73.160 71.470 42.360 1.00 0.00 O ATOM 300 CB VAL A 19 71.150 69.350 40.870 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.590 68.900 40.660 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.360 68.130 41.330 1.00 0.00 C ATOM 0 H VAL A 19 69.130 70.662 41.085 1.00 0.00 H new ATOM 0 HA VAL A 19 71.230 70.162 42.901 1.00 0.00 H new ATOM 0 HB VAL A 19 70.740 69.742 39.939 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.615 68.084 39.937 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.181 69.735 40.285 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.006 68.558 41.608 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.454 67.335 40.590 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.751 67.783 42.286 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.310 68.398 41.443 1.00 0.00 H new ATOM 312 N GLU A 20 72.000 72.460 40.760 1.00 0.00 N ATOM 313 CA GLU A 20 72.980 73.510 40.590 1.00 0.00 C ATOM 314 C GLU A 20 73.160 74.320 41.860 1.00 0.00 C ATOM 315 O GLU A 20 74.260 74.560 42.260 1.00 0.00 O ATOM 316 CB GLU A 20 72.550 74.450 39.470 1.00 0.00 C ATOM 317 CG GLU A 20 71.150 75.020 39.690 1.00 0.00 C ATOM 318 CD GLU A 20 70.640 75.770 38.460 1.00 0.00 C ATOM 319 OE1 GLU A 20 71.310 75.740 37.420 1.00 0.00 O ATOM 320 OE2 GLU A 20 69.520 76.330 38.560 1.00 0.00 O ATOM 0 H GLU A 20 71.200 72.525 40.130 1.00 0.00 H new ATOM 0 HA GLU A 20 73.928 73.032 40.342 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.265 75.270 39.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.576 73.915 38.521 1.00 0.00 H new ATOM 0 HG2 GLU A 20 70.462 74.210 39.932 1.00 0.00 H new ATOM 0 HG3 GLU A 20 71.163 75.694 40.547 1.00 0.00 H new ATOM 327 N LEU A 21 72.060 74.710 42.550 1.00 0.00 N ATOM 328 CA LEU A 21 72.260 75.580 43.700 1.00 0.00 C ATOM 329 C LEU A 21 73.070 74.790 44.760 1.00 0.00 C ATOM 330 O LEU A 21 73.990 75.370 45.360 1.00 0.00 O ATOM 331 CB LEU A 21 70.930 76.100 44.250 1.00 0.00 C ATOM 332 CG LEU A 21 70.160 77.010 43.280 1.00 0.00 C ATOM 333 CD1 LEU A 21 68.830 77.430 43.870 1.00 0.00 C ATOM 334 CD2 LEU A 21 70.960 78.280 42.980 1.00 0.00 C ATOM 0 H LEU A 21 71.096 74.451 42.340 1.00 0.00 H new ATOM 0 HA LEU A 21 72.820 76.468 43.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.300 75.250 44.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.121 76.649 45.172 1.00 0.00 H new ATOM 0 HG LEU A 21 69.999 76.439 42.366 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.305 78.073 43.163 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.226 76.545 44.073 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.000 77.974 44.799 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.397 78.910 42.292 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.139 78.825 43.907 1.00 0.00 H new ATOM 0 HD23 LEU A 21 71.914 78.010 42.528 1.00 0.00 H new ATOM 346 N GLU A 22 72.730 73.570 45.010 1.00 0.00 N ATOM 347 CA GLU A 22 73.460 72.800 46.040 1.00 0.00 C ATOM 348 C GLU A 22 74.900 72.480 45.670 1.00 0.00 C ATOM 349 O GLU A 22 75.790 72.600 46.500 1.00 0.00 O ATOM 350 CB GLU A 22 72.730 71.510 46.330 1.00 0.00 C ATOM 351 CG GLU A 22 71.410 71.800 47.050 1.00 0.00 C ATOM 352 CD GLU A 22 70.690 70.520 47.430 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.270 69.470 47.070 1.00 0.00 O ATOM 354 OE2 GLU A 22 69.580 70.610 48.000 1.00 0.00 O ATOM 0 H GLU A 22 71.974 73.068 44.544 1.00 0.00 H new ATOM 0 HA GLU A 22 73.496 73.441 46.921 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.536 70.977 45.400 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.353 70.861 46.945 1.00 0.00 H new ATOM 0 HG2 GLU A 22 71.605 72.389 47.946 1.00 0.00 H new ATOM 0 HG3 GLU A 22 70.768 72.402 46.407 1.00 0.00 H new ATOM 361 N ASP A 23 75.080 72.130 44.380 1.00 0.00 N ATOM 362 CA ASP A 23 76.340 71.710 43.820 1.00 0.00 C ATOM 363 C ASP A 23 77.300 72.890 43.870 1.00 0.00 C ATOM 364 O ASP A 23 78.400 72.800 44.270 1.00 0.00 O ATOM 365 CB ASP A 23 76.220 71.260 42.370 1.00 0.00 C ATOM 366 CG ASP A 23 77.440 70.590 41.780 1.00 0.00 C ATOM 367 OD1 ASP A 23 78.480 70.590 42.680 1.00 0.00 O ATOM 368 OD2 ASP A 23 77.480 69.940 40.850 1.00 0.00 O ATOM 0 H ASP A 23 74.322 72.139 43.698 1.00 0.00 H new ATOM 0 HA ASP A 23 76.695 70.861 44.404 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.379 70.571 42.293 1.00 0.00 H new ATOM 0 HB3 ASP A 23 75.977 72.130 41.760 1.00 0.00 H new ATOM 373 N LEU A 24 76.770 74.110 43.610 1.00 0.00 N ATOM 374 CA LEU A 24 77.600 75.300 43.680 1.00 0.00 C ATOM 375 C LEU A 24 78.250 75.450 45.060 1.00 0.00 C ATOM 376 O LEU A 24 79.480 75.620 45.150 1.00 0.00 O ATOM 377 CB LEU A 24 76.710 76.530 43.390 1.00 0.00 C ATOM 378 CG LEU A 24 76.310 76.650 41.930 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.220 77.700 41.790 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.470 77.040 41.080 1.00 0.00 C ATOM 0 H LEU A 24 75.796 74.277 43.358 1.00 0.00 H new ATOM 0 HA LEU A 24 78.400 75.218 42.945 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.810 76.472 44.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.241 77.433 43.690 1.00 0.00 H new ATOM 0 HG LEU A 24 75.948 75.677 41.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.932 77.788 40.743 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.353 77.406 42.382 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.593 78.661 42.145 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.150 77.117 40.041 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.858 78.003 41.413 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.252 76.286 41.164 1.00 0.00 H new ATOM 392 N TYR A 25 77.460 75.450 46.100 1.00 0.00 N ATOM 393 CA TYR A 25 77.930 75.610 47.490 1.00 0.00 C ATOM 394 C TYR A 25 78.920 74.470 47.770 1.00 0.00 C ATOM 395 O TYR A 25 79.990 74.700 48.270 1.00 0.00 O ATOM 396 CB TYR A 25 76.810 75.580 48.530 1.00 0.00 C ATOM 397 CG TYR A 25 77.270 75.860 49.960 1.00 0.00 C ATOM 398 CD1 TYR A 25 77.750 74.820 50.740 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.270 77.130 50.500 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.190 74.990 52.060 1.00 0.00 C ATOM 401 CE2 TYR A 25 77.740 77.350 51.820 1.00 0.00 C ATOM 402 CZ TYR A 25 78.190 76.270 52.590 1.00 0.00 C ATOM 403 OH TYR A 25 78.600 76.460 53.870 1.00 0.00 O ATOM 0 H TYR A 25 76.449 75.338 46.026 1.00 0.00 H new ATOM 0 HA TYR A 25 78.390 76.594 47.579 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.054 76.315 48.254 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.329 74.602 48.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 77.787 73.830 50.310 1.00 0.00 H new ATOM 0 HD2 TYR A 25 76.910 77.962 49.913 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.520 74.146 52.648 1.00 0.00 H new ATOM 0 HE2 TYR A 25 77.751 78.349 52.231 1.00 0.00 H new ATOM 0 HH TYR A 25 78.543 77.412 54.094 1.00 0.00 H new ATOM 413 N HIS A 26 78.430 73.250 47.490 1.00 0.00 N ATOM 414 CA HIS A 26 79.150 72.060 47.970 1.00 0.00 C ATOM 415 C HIS A 26 80.380 71.800 47.140 1.00 0.00 C ATOM 416 O HIS A 26 81.420 71.430 47.650 1.00 0.00 O ATOM 417 CB HIS A 26 78.270 70.810 47.940 1.00 0.00 C ATOM 418 CG HIS A 26 77.050 70.920 48.820 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.800 71.650 49.920 1.00 0.00 N flip ATOM 420 CD2 HIS A 26 75.910 70.200 48.660 1.00 0.00 C flip ATOM 421 CE1 HIS A 26 75.530 71.400 50.360 1.00 0.00 C flip ATOM 422 NE2 HIS A 26 75.010 70.480 49.590 1.00 0.00 N flip ATOM 0 H HIS A 26 77.579 73.066 46.959 1.00 0.00 H new ATOM 0 HA HIS A 26 79.436 72.268 49.001 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.954 70.621 46.914 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.861 69.950 48.255 1.00 0.00 H new ATOM 0 HD2 HIS A 26 75.755 69.483 47.867 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.042 71.878 51.196 1.00 0.00 H new ATOM 0 HE2 HIS A 26 74.086 70.058 49.687 1.00 0.00 H new ATOM 430 N GLU A 27 80.320 72.050 45.850 1.00 0.00 N ATOM 431 CA GLU A 27 81.450 71.860 44.990 1.00 0.00 C ATOM 432 C GLU A 27 82.520 72.790 45.350 1.00 0.00 C ATOM 433 O GLU A 27 83.650 72.360 45.470 1.00 0.00 O ATOM 434 CB GLU A 27 81.110 72.070 43.530 1.00 0.00 C ATOM 435 CG GLU A 27 82.200 71.610 42.670 1.00 0.00 C ATOM 436 CD GLU A 27 81.970 71.820 41.270 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.950 72.250 41.040 1.00 0.00 O ATOM 438 OE2 GLU A 27 82.940 71.580 40.420 1.00 0.00 O ATOM 0 H GLU A 27 79.484 72.390 45.376 1.00 0.00 H new ATOM 0 HA GLU A 27 81.771 70.827 45.125 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.195 71.531 43.284 1.00 0.00 H new ATOM 0 HB3 GLU A 27 80.917 73.127 43.346 1.00 0.00 H new ATOM 0 HG2 GLU A 27 83.117 72.124 42.958 1.00 0.00 H new ATOM 0 HG3 GLU A 27 82.362 70.546 42.845 1.00 0.00 H new ATOM 445 N PHE A 28 82.100 74.030 45.640 1.00 0.00 N ATOM 446 CA PHE A 28 82.980 75.060 46.000 1.00 0.00 C ATOM 447 C PHE A 28 83.790 74.620 47.210 1.00 0.00 C ATOM 448 O PHE A 28 84.950 74.840 47.300 1.00 0.00 O ATOM 449 CB PHE A 28 82.210 76.370 46.250 1.00 0.00 C ATOM 450 CG PHE A 28 83.070 77.500 46.780 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.850 77.350 47.930 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.090 78.740 46.130 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.700 78.340 48.400 1.00 0.00 C ATOM 454 CE2 PHE A 28 83.920 79.770 46.620 1.00 0.00 C ATOM 455 CZ PHE A 28 84.720 79.560 47.750 1.00 0.00 C ATOM 0 H PHE A 28 81.120 74.311 45.620 1.00 0.00 H new ATOM 0 HA PHE A 28 83.673 75.262 45.184 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.744 76.689 45.318 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.405 76.177 46.959 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.788 76.421 48.477 1.00 0.00 H new ATOM 0 HD2 PHE A 28 82.474 78.907 45.259 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.333 78.161 49.256 1.00 0.00 H new ATOM 0 HE2 PHE A 28 83.939 80.727 46.120 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.355 80.354 48.115 1.00 0.00 H new ATOM 465 N SER A 29 83.010 74.150 48.260 1.00 0.00 N ATOM 466 CA SER A 29 83.660 73.830 49.510 1.00 0.00 C ATOM 467 C SER A 29 84.600 72.700 49.550 1.00 0.00 C ATOM 468 O SER A 29 85.510 72.720 50.370 1.00 0.00 O ATOM 469 CB SER A 29 82.580 73.420 50.440 1.00 0.00 C ATOM 470 OG SER A 29 81.820 72.310 50.030 1.00 0.00 O ATOM 0 H SER A 29 82.001 74.006 48.232 1.00 0.00 H new ATOM 0 HA SER A 29 84.244 74.722 49.738 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.024 73.196 51.410 1.00 0.00 H new ATOM 0 HB3 SER A 29 81.908 74.266 50.585 1.00 0.00 H new ATOM 0 HG SER A 29 81.818 72.258 49.051 1.00 0.00 H new ATOM 476 N GLU A 30 84.270 71.660 48.790 1.00 0.00 N ATOM 477 CA GLU A 30 84.990 70.420 48.610 1.00 0.00 C ATOM 478 C GLU A 30 86.230 70.600 47.770 1.00 0.00 C ATOM 479 O GLU A 30 87.290 70.180 48.100 1.00 0.00 O ATOM 480 CB GLU A 30 84.080 69.410 47.900 1.00 0.00 C ATOM 481 CG GLU A 30 82.920 68.990 48.760 1.00 0.00 C ATOM 482 CD GLU A 30 81.970 68.000 48.100 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.270 67.560 46.980 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.060 67.490 48.800 1.00 0.00 O ATOM 0 H GLU A 30 83.413 71.673 48.238 1.00 0.00 H new ATOM 0 HA GLU A 30 85.287 70.068 49.598 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.705 69.849 46.975 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.662 68.531 47.623 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.306 68.547 49.678 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.357 69.878 49.047 1.00 0.00 H new ATOM 491 N ASP A 31 86.040 71.370 46.620 1.00 0.00 N ATOM 492 CA ASP A 31 87.040 71.370 45.590 1.00 0.00 C ATOM 493 C ASP A 31 86.950 72.630 44.680 1.00 0.00 C ATOM 494 O ASP A 31 85.970 73.280 44.630 1.00 0.00 O ATOM 495 CB ASP A 31 86.860 70.120 44.790 1.00 0.00 C ATOM 496 CG ASP A 31 88.110 69.620 44.110 1.00 0.00 C ATOM 497 OD1 ASP A 31 89.250 70.540 44.310 1.00 0.00 O ATOM 498 OD2 ASP A 31 88.280 68.720 43.600 1.00 0.00 O ATOM 0 H ASP A 31 85.225 71.955 46.437 1.00 0.00 H new ATOM 0 HA ASP A 31 88.030 71.400 46.045 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.482 69.336 45.446 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.097 70.297 44.032 1.00 0.00 H new ATOM 503 N LYS A 32 88.020 72.950 43.870 1.00 0.00 N ATOM 504 CA LYS A 32 87.860 73.990 42.860 1.00 0.00 C ATOM 505 C LYS A 32 87.830 73.470 41.420 1.00 0.00 C ATOM 506 O LYS A 32 88.760 72.800 40.940 1.00 0.00 O ATOM 507 CB LYS A 32 88.920 75.030 43.070 1.00 0.00 C ATOM 508 CG LYS A 32 90.330 74.460 42.860 1.00 0.00 C ATOM 509 CD LYS A 32 91.360 75.550 43.050 1.00 0.00 C ATOM 510 CE LYS A 32 92.760 74.990 42.860 1.00 0.00 C ATOM 511 NZ LYS A 32 93.720 76.080 43.080 1.00 0.00 N ATOM 0 H LYS A 32 88.941 72.514 43.912 1.00 0.00 H new ATOM 0 HA LYS A 32 86.874 74.435 42.994 1.00 0.00 H new ATOM 0 HB2 LYS A 32 88.757 75.859 42.381 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.838 75.434 44.079 1.00 0.00 H new ATOM 0 HG2 LYS A 32 90.512 73.649 43.565 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.415 74.038 41.859 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.183 76.355 42.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.265 75.980 44.047 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.942 74.175 43.560 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.873 74.580 41.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.688 75.721 42.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.543 76.842 42.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.610 76.450 44.046 1.00 0.00 H new ATOM 525 N ARG A 33 86.750 73.710 40.750 1.00 0.00 N ATOM 526 CA ARG A 33 86.280 72.770 39.710 1.00 0.00 C ATOM 527 C ARG A 33 85.210 73.320 38.860 1.00 0.00 C ATOM 528 O ARG A 33 84.800 74.470 39.090 1.00 0.00 O ATOM 529 CB ARG A 33 85.790 71.580 40.460 1.00 0.00 C ATOM 530 CG ARG A 33 86.600 70.310 40.350 1.00 0.00 C ATOM 531 CD ARG A 33 86.120 69.100 41.150 1.00 0.00 C ATOM 532 NE ARG A 33 86.850 67.960 41.010 1.00 0.00 N ATOM 533 CZ ARG A 33 86.630 66.880 41.770 1.00 0.00 C ATOM 534 NH1 ARG A 33 85.480 66.790 42.520 1.00 0.00 N ATOM 535 NH2 ARG A 33 87.410 66.030 41.730 1.00 0.00 N ATOM 0 H ARG A 33 86.162 74.533 40.881 1.00 0.00 H new ATOM 0 HA ARG A 33 87.090 72.539 39.018 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.726 71.849 41.514 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.776 71.364 40.124 1.00 0.00 H new ATOM 0 HG2 ARG A 33 86.639 70.025 39.299 1.00 0.00 H new ATOM 0 HG3 ARG A 33 87.621 70.534 40.658 1.00 0.00 H new ATOM 0 HD2 ARG A 33 86.106 69.371 42.206 1.00 0.00 H new ATOM 0 HD3 ARG A 33 85.091 68.885 40.863 1.00 0.00 H new ATOM 0 HE ARG A 33 87.587 67.927 40.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 84.796 67.546 42.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 85.312 65.967 43.099 1.00 0.00 H new ATOM 0 HH21 ARG A 33 88.230 66.119 41.130 1.00 0.00 H new ATOM 0 HH22 ARG A 33 87.279 65.190 42.294 1.00 0.00 H new ATOM 549 N SER A 34 84.860 72.670 37.780 1.00 0.00 N ATOM 550 CA SER A 34 83.940 73.230 36.850 1.00 0.00 C ATOM 551 C SER A 34 82.880 72.280 36.390 1.00 0.00 C ATOM 552 O SER A 34 83.060 71.060 36.370 1.00 0.00 O ATOM 553 CB SER A 34 84.730 73.780 35.690 1.00 0.00 C ATOM 554 OG SER A 34 85.520 72.740 35.180 1.00 0.00 O ATOM 0 H SER A 34 85.207 71.744 37.530 1.00 0.00 H new ATOM 0 HA SER A 34 83.388 74.023 37.356 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.061 74.165 34.920 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.356 74.612 36.014 1.00 0.00 H new ATOM 0 HG SER A 34 85.923 73.021 34.332 1.00 0.00 H new ATOM 560 N ILE A 35 81.750 72.860 35.960 1.00 0.00 N ATOM 561 CA ILE A 35 80.490 72.190 35.700 1.00 0.00 C ATOM 562 C ILE A 35 80.070 72.510 34.290 1.00 0.00 C ATOM 563 O ILE A 35 80.380 73.550 33.720 1.00 0.00 O ATOM 564 CB ILE A 35 79.320 72.620 36.620 1.00 0.00 C ATOM 565 CG1 ILE A 35 78.200 71.660 36.690 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.770 73.970 36.350 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.300 71.920 37.840 1.00 0.00 C ATOM 0 H ILE A 35 81.699 73.862 35.778 1.00 0.00 H new ATOM 0 HA ILE A 35 80.674 71.131 35.882 1.00 0.00 H new ATOM 0 HB ILE A 35 79.818 72.643 37.589 1.00 0.00 H new ATOM 0 HG12 ILE A 35 77.626 71.709 35.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.597 70.648 36.765 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.957 74.177 37.045 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.555 74.715 36.478 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.393 74.012 35.328 1.00 0.00 H new ATOM 0 HD11 ILE A 35 76.494 71.186 37.845 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.865 71.844 38.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 76.878 72.921 37.753 1.00 0.00 H new ATOM 579 N PHE A 36 79.290 71.560 33.790 1.00 0.00 N ATOM 580 CA PHE A 36 78.360 71.730 32.710 1.00 0.00 C ATOM 581 C PHE A 36 76.910 71.720 33.200 1.00 0.00 C ATOM 582 O PHE A 36 76.460 70.790 33.880 1.00 0.00 O ATOM 583 CB PHE A 36 78.610 70.670 31.690 1.00 0.00 C ATOM 584 CG PHE A 36 79.880 70.780 30.940 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.040 70.250 31.520 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.900 71.420 29.710 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.270 70.420 30.870 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.140 71.600 29.090 1.00 0.00 C ATOM 589 CZ PHE A 36 82.310 71.160 29.710 1.00 0.00 C ATOM 0 H PHE A 36 79.299 70.607 34.153 1.00 0.00 H new ATOM 0 HA PHE A 36 78.514 72.708 32.255 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.588 69.701 32.189 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.787 70.679 30.976 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.987 69.716 32.457 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.988 71.768 29.247 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.170 69.978 31.272 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.193 72.083 28.125 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.266 71.405 29.271 1.00 0.00 H new ATOM 599 N TYR A 37 76.170 72.680 32.750 1.00 0.00 N ATOM 600 CA TYR A 37 74.740 72.810 33.050 1.00 0.00 C ATOM 601 C TYR A 37 73.930 72.570 31.810 1.00 0.00 C ATOM 602 O TYR A 37 73.950 73.360 30.870 1.00 0.00 O ATOM 603 CB TYR A 37 74.430 74.190 33.620 1.00 0.00 C ATOM 604 CG TYR A 37 72.980 74.350 34.000 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.280 73.270 34.550 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.330 75.570 33.780 1.00 0.00 C ATOM 607 CE1 TYR A 37 70.940 73.410 34.920 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.980 75.700 34.140 1.00 0.00 C ATOM 609 CZ TYR A 37 70.320 74.630 34.750 1.00 0.00 C ATOM 610 OH TYR A 37 69.020 74.750 35.140 1.00 0.00 O ATOM 0 H TYR A 37 76.529 73.422 32.149 1.00 0.00 H new ATOM 0 HA TYR A 37 74.476 72.063 33.798 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.053 74.364 34.497 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.695 74.950 32.885 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.779 72.322 34.689 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.861 76.401 33.339 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.397 72.573 35.334 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.453 76.623 33.946 1.00 0.00 H new ATOM 0 HH TYR A 37 68.920 75.544 35.706 1.00 0.00 H new ATOM 620 N PHE A 38 73.200 71.460 31.830 1.00 0.00 N ATOM 621 CA PHE A 38 72.280 71.050 30.790 1.00 0.00 C ATOM 622 C PHE A 38 70.910 71.640 31.060 1.00 0.00 C ATOM 623 O PHE A 38 70.130 71.130 31.860 1.00 0.00 O ATOM 624 CB PHE A 38 72.180 69.550 30.770 1.00 0.00 C ATOM 625 CG PHE A 38 71.040 69.120 29.840 1.00 0.00 C ATOM 626 CD1 PHE A 38 71.300 68.920 28.490 1.00 0.00 C ATOM 627 CD2 PHE A 38 69.770 68.840 30.380 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.310 68.270 27.680 1.00 0.00 C ATOM 629 CE2 PHE A 38 68.750 68.410 29.530 1.00 0.00 C ATOM 630 CZ PHE A 38 69.050 68.080 28.210 1.00 0.00 C ATOM 0 H PHE A 38 73.239 70.799 32.605 1.00 0.00 H new ATOM 0 HA PHE A 38 72.645 71.405 29.826 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.121 69.118 30.431 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.001 69.174 31.778 1.00 0.00 H new ATOM 0 HD1 PHE A 38 72.233 69.249 28.057 1.00 0.00 H new ATOM 0 HD2 PHE A 38 69.588 68.956 31.438 1.00 0.00 H new ATOM 0 HE1 PHE A 38 70.545 67.937 26.680 1.00 0.00 H new ATOM 0 HE2 PHE A 38 67.736 68.334 29.893 1.00 0.00 H new ATOM 0 HZ PHE A 38 68.275 67.664 27.584 1.00 0.00 H new ATOM 640 N ALA A 39 70.590 72.740 30.410 1.00 0.00 N ATOM 641 CA ALA A 39 69.330 73.400 30.580 1.00 0.00 C ATOM 642 C ALA A 39 68.810 73.900 29.280 1.00 0.00 C ATOM 643 O ALA A 39 69.620 74.130 28.400 1.00 0.00 O ATOM 644 CB ALA A 39 69.440 74.530 31.580 1.00 0.00 C ATOM 0 H ALA A 39 71.211 73.199 29.743 1.00 0.00 H new ATOM 0 HA ALA A 39 68.622 72.669 30.970 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.470 75.014 31.690 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.759 74.133 32.544 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.171 75.258 31.227 1.00 0.00 H new ATOM 650 N PRO A 40 67.470 73.960 29.140 1.00 0.00 N ATOM 651 CA PRO A 40 66.830 73.260 28.030 1.00 0.00 C ATOM 652 C PRO A 40 67.140 73.910 26.660 1.00 0.00 C ATOM 653 O PRO A 40 67.210 75.100 26.590 1.00 0.00 O ATOM 654 CB PRO A 40 65.330 73.340 28.390 1.00 0.00 C ATOM 655 CG PRO A 40 65.190 74.610 29.230 1.00 0.00 C ATOM 656 CD PRO A 40 66.510 74.690 29.990 1.00 0.00 C ATOM 0 HA PRO A 40 67.188 72.237 27.914 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.711 73.390 27.494 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.011 72.460 28.949 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.035 75.489 28.604 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.340 74.549 29.910 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.819 75.724 30.140 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.428 74.235 30.977 1.00 0.00 H new ATOM 664 N THR A 41 67.030 73.080 25.570 1.00 0.00 N ATOM 665 CA THR A 41 66.840 73.680 24.220 1.00 0.00 C ATOM 666 C THR A 41 65.440 74.310 24.080 1.00 0.00 C ATOM 667 O THR A 41 65.210 75.360 23.500 1.00 0.00 O ATOM 668 CB THR A 41 67.020 72.620 23.120 1.00 0.00 C ATOM 669 OG1 THR A 41 68.270 72.070 23.080 1.00 0.00 O ATOM 670 CG2 THR A 41 66.890 73.230 21.720 1.00 0.00 C ATOM 0 H THR A 41 67.067 72.061 25.599 1.00 0.00 H new ATOM 0 HA THR A 41 67.595 74.458 24.106 1.00 0.00 H new ATOM 0 HB THR A 41 66.254 71.884 23.365 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.766 72.326 23.885 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.023 72.451 20.970 1.00 0.00 H new ATOM 0 HG22 THR A 41 65.902 73.677 21.608 1.00 0.00 H new ATOM 0 HG23 THR A 41 67.652 73.997 21.585 1.00 0.00 H new ATOM 678 N ASN A 42 64.490 73.590 24.650 1.00 0.00 N ATOM 679 CA ASN A 42 63.050 73.540 24.400 1.00 0.00 C ATOM 680 C ASN A 42 62.350 74.780 24.800 1.00 0.00 C ATOM 681 O ASN A 42 61.490 75.270 24.130 1.00 0.00 O ATOM 682 CB ASN A 42 62.480 72.350 25.190 1.00 0.00 C ATOM 683 CG ASN A 42 62.920 71.020 24.700 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.320 70.850 23.560 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.920 69.970 25.380 1.00 0.00 N ATOM 0 H ASN A 42 64.738 72.941 25.397 1.00 0.00 H new ATOM 0 HA ASN A 42 62.892 73.429 23.327 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.770 72.452 26.236 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.391 72.394 25.155 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.235 69.093 24.964 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.605 69.991 26.350 1.00 0.00 H new ATOM 692 N ALA A 43 62.740 75.220 26.010 1.00 0.00 N ATOM 693 CA ALA A 43 62.320 76.460 26.510 1.00 0.00 C ATOM 694 C ALA A 43 63.360 77.550 26.420 1.00 0.00 C ATOM 695 O ALA A 43 63.060 78.650 26.020 1.00 0.00 O ATOM 696 CB ALA A 43 62.080 76.180 27.930 1.00 0.00 C ATOM 0 H ALA A 43 63.353 74.698 26.636 1.00 0.00 H new ATOM 0 HA ALA A 43 61.466 76.826 25.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.743 77.089 28.428 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.315 75.410 28.025 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.003 75.833 28.394 1.00 0.00 H new ATOM 702 N HIS A 44 64.580 77.200 26.840 1.00 0.00 N ATOM 703 CA HIS A 44 65.720 78.020 27.220 1.00 0.00 C ATOM 704 C HIS A 44 65.670 78.610 28.630 1.00 0.00 C ATOM 705 O HIS A 44 66.510 79.320 29.090 1.00 0.00 O ATOM 706 CB HIS A 44 65.920 79.110 26.200 1.00 0.00 C ATOM 707 CG HIS A 44 66.240 78.580 24.830 1.00 0.00 C ATOM 708 ND1 HIS A 44 65.530 78.740 23.700 1.00 0.00 N flip ATOM 709 CD2 HIS A 44 67.280 77.720 24.550 1.00 0.00 C flip ATOM 710 CE1 HIS A 44 66.220 78.090 22.700 1.00 0.00 C flip ATOM 711 NE2 HIS A 44 67.290 77.540 23.240 1.00 0.00 N flip ATOM 0 H HIS A 44 64.813 76.211 26.930 1.00 0.00 H new ATOM 0 HA HIS A 44 66.572 77.340 27.240 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.018 79.720 26.146 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.728 79.764 26.529 1.00 0.00 H new ATOM 0 HD1 HIS A 44 64.650 79.245 23.602 1.00 0.00 H new ATOM 0 HD2 HIS A 44 67.958 77.277 25.265 1.00 0.00 H new ATOM 0 HE1 HIS A 44 65.935 78.040 21.659 1.00 0.00 H new ATOM 719 N LYS A 45 64.570 78.240 29.370 1.00 0.00 N ATOM 720 CA LYS A 45 64.240 78.830 30.650 1.00 0.00 C ATOM 721 C LYS A 45 65.140 78.630 31.810 1.00 0.00 C ATOM 722 O LYS A 45 65.420 79.580 32.490 1.00 0.00 O ATOM 723 CB LYS A 45 62.860 78.390 30.980 1.00 0.00 C ATOM 724 CG LYS A 45 62.240 78.940 32.250 1.00 0.00 C ATOM 725 CD LYS A 45 60.850 78.330 32.560 1.00 0.00 C ATOM 726 CE LYS A 45 60.350 78.810 33.910 1.00 0.00 C ATOM 727 NZ LYS A 45 59.020 78.230 34.190 1.00 0.00 N ATOM 0 H LYS A 45 63.910 77.523 29.067 1.00 0.00 H new ATOM 0 HA LYS A 45 64.360 79.902 30.496 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.212 78.657 30.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.860 77.302 31.048 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.910 78.747 33.088 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.144 80.022 32.161 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.141 78.611 31.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.914 77.242 32.555 1.00 0.00 H new ATOM 0 HE2 LYS A 45 61.053 78.522 34.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.291 79.898 33.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.684 78.563 35.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.350 78.526 33.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.089 77.192 34.200 1.00 0.00 H new ATOM 741 N ASP A 46 65.450 77.340 32.090 1.00 0.00 N ATOM 742 CA ASP A 46 66.310 77.090 33.220 1.00 0.00 C ATOM 743 C ASP A 46 67.650 77.710 32.980 1.00 0.00 C ATOM 744 O ASP A 46 68.200 78.310 33.870 1.00 0.00 O ATOM 745 CB ASP A 46 66.470 75.610 33.440 1.00 0.00 C ATOM 746 CG ASP A 46 65.260 74.870 33.850 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.500 75.490 34.710 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.840 73.830 33.440 1.00 0.00 O ATOM 0 H ASP A 46 65.131 76.520 31.574 1.00 0.00 H new ATOM 0 HA ASP A 46 65.858 77.531 34.109 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.845 75.167 32.517 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.236 75.459 34.200 1.00 0.00 H new ATOM 753 N MET A 47 68.110 77.670 31.700 1.00 0.00 N ATOM 754 CA MET A 47 69.380 78.210 31.340 1.00 0.00 C ATOM 755 C MET A 47 69.440 79.720 31.510 1.00 0.00 C ATOM 756 O MET A 47 70.400 80.260 32.040 1.00 0.00 O ATOM 757 CB MET A 47 69.660 77.860 29.890 1.00 0.00 C ATOM 758 CG MET A 47 71.000 78.440 29.510 1.00 0.00 C ATOM 759 SD MET A 47 71.290 77.900 27.890 1.00 0.00 S ATOM 760 CE MET A 47 71.850 76.220 28.010 1.00 0.00 C ATOM 0 H MET A 47 67.592 77.260 30.923 1.00 0.00 H new ATOM 0 HA MET A 47 70.129 77.779 32.004 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.663 76.778 29.755 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.877 78.260 29.245 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.987 79.529 29.565 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.783 78.096 30.185 1.00 0.00 H new ATOM 0 HE1 MET A 47 72.922 76.179 27.815 1.00 0.00 H new ATOM 0 HE2 MET A 47 71.649 75.840 29.012 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.324 75.608 27.277 1.00 0.00 H new ATOM 770 N LEU A 48 68.370 80.380 31.090 1.00 0.00 N ATOM 771 CA LEU A 48 68.300 81.830 31.280 1.00 0.00 C ATOM 772 C LEU A 48 68.300 82.200 32.790 1.00 0.00 C ATOM 773 O LEU A 48 68.990 83.130 33.200 1.00 0.00 O ATOM 774 CB LEU A 48 67.050 82.360 30.580 1.00 0.00 C ATOM 775 CG LEU A 48 67.200 82.410 29.050 1.00 0.00 C ATOM 776 CD1 LEU A 48 65.880 82.840 28.420 1.00 0.00 C ATOM 777 CD2 LEU A 48 68.290 83.380 28.640 1.00 0.00 C ATOM 0 H LEU A 48 67.563 79.958 30.631 1.00 0.00 H new ATOM 0 HA LEU A 48 69.183 82.295 30.841 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.200 81.728 30.837 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.827 83.360 30.952 1.00 0.00 H new ATOM 0 HG LEU A 48 67.473 81.414 28.702 1.00 0.00 H new ATOM 0 HD11 LEU A 48 65.988 82.875 27.336 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.101 82.125 28.684 1.00 0.00 H new ATOM 0 HD13 LEU A 48 65.606 83.828 28.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.374 83.395 27.553 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.042 84.379 28.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.239 83.065 29.073 1.00 0.00 H new ATOM 789 N LYS A 49 67.540 81.480 33.590 1.00 0.00 N ATOM 790 CA LYS A 49 67.530 81.700 35.050 1.00 0.00 C ATOM 791 C LYS A 49 68.860 81.450 35.660 1.00 0.00 C ATOM 792 O LYS A 49 69.240 82.140 36.570 1.00 0.00 O ATOM 793 CB LYS A 49 66.460 80.850 35.730 1.00 0.00 C ATOM 794 CG LYS A 49 65.050 81.310 35.420 1.00 0.00 C ATOM 795 CD LYS A 49 63.990 80.520 36.130 1.00 0.00 C ATOM 796 CE LYS A 49 62.610 81.050 35.790 1.00 0.00 C ATOM 797 NZ LYS A 49 61.620 80.270 36.560 1.00 0.00 N ATOM 0 H LYS A 49 66.918 80.737 33.270 1.00 0.00 H new ATOM 0 HA LYS A 49 67.288 82.751 35.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.575 79.813 35.416 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.615 80.876 36.809 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.952 82.361 35.692 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.883 81.242 34.345 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.062 79.470 35.848 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.150 80.572 37.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.537 82.109 36.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.419 80.958 34.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.678 80.390 36.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.882 79.264 36.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.602 80.607 37.544 1.00 0.00 H new ATOM 811 N ALA A 50 69.590 80.430 35.120 1.00 0.00 N ATOM 812 CA ALA A 50 70.860 80.110 35.640 1.00 0.00 C ATOM 813 C ALA A 50 71.920 81.190 35.500 1.00 0.00 C ATOM 814 O ALA A 50 72.640 81.400 36.470 1.00 0.00 O ATOM 815 CB ALA A 50 71.320 78.880 34.890 1.00 0.00 C ATOM 0 H ALA A 50 69.286 79.851 34.337 1.00 0.00 H new ATOM 0 HA ALA A 50 70.747 79.970 36.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.304 78.581 35.250 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.612 78.068 35.054 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.376 79.103 33.825 1.00 0.00 H new ATOM 821 N VAL A 51 71.980 81.850 34.360 1.00 0.00 N ATOM 822 CA VAL A 51 72.940 82.950 34.170 1.00 0.00 C ATOM 823 C VAL A 51 72.700 83.970 35.300 1.00 0.00 C ATOM 824 O VAL A 51 73.610 84.390 35.950 1.00 0.00 O ATOM 825 CB VAL A 51 72.830 83.640 32.800 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.820 84.810 32.710 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.120 82.680 31.640 1.00 0.00 C ATOM 0 H VAL A 51 71.388 81.656 33.552 1.00 0.00 H new ATOM 0 HA VAL A 51 73.947 82.534 34.203 1.00 0.00 H new ATOM 0 HB VAL A 51 71.803 83.995 32.714 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.730 85.288 31.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.597 85.536 33.492 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.836 84.438 32.839 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.030 83.214 30.694 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.131 82.285 31.739 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.406 81.857 31.661 1.00 0.00 H new ATOM 837 N ASP A 52 71.400 84.270 35.500 1.00 0.00 N ATOM 838 CA ASP A 52 71.000 85.190 36.580 1.00 0.00 C ATOM 839 C ASP A 52 71.320 84.630 37.960 1.00 0.00 C ATOM 840 O ASP A 52 71.940 85.340 38.740 1.00 0.00 O ATOM 841 CB ASP A 52 69.540 85.580 36.460 1.00 0.00 C ATOM 842 CG ASP A 52 69.120 86.380 35.230 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.300 86.960 34.580 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.170 86.610 34.820 1.00 0.00 O ATOM 0 H ASP A 52 70.629 83.899 34.944 1.00 0.00 H new ATOM 0 HA ASP A 52 71.594 86.096 36.464 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.945 84.667 36.486 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.273 86.159 37.344 1.00 0.00 H new ATOM 849 N PHE A 53 71.000 83.350 38.310 1.00 0.00 N ATOM 850 CA PHE A 53 71.280 82.750 39.600 1.00 0.00 C ATOM 851 C PHE A 53 72.790 82.860 39.900 1.00 0.00 C ATOM 852 O PHE A 53 73.180 82.950 41.030 1.00 0.00 O ATOM 853 CB PHE A 53 70.710 81.300 39.690 1.00 0.00 C ATOM 854 CG PHE A 53 69.220 81.220 39.670 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.470 82.280 40.180 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.570 80.080 39.150 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.090 82.260 40.150 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.180 80.050 39.120 1.00 0.00 C ATOM 859 CZ PHE A 53 66.460 81.150 39.590 1.00 0.00 C ATOM 0 H PHE A 53 70.529 82.711 37.669 1.00 0.00 H new ATOM 0 HA PHE A 53 70.762 83.298 40.387 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.104 80.716 38.858 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.074 80.836 40.607 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.978 83.132 40.606 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.144 79.243 38.781 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.514 83.082 40.549 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.662 79.183 38.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.382 81.140 39.517 1.00 0.00 H new ATOM 869 N PHE A 54 73.580 82.690 38.800 1.00 0.00 N ATOM 870 CA PHE A 54 74.990 82.300 39.040 1.00 0.00 C ATOM 871 C PHE A 54 75.730 83.480 39.570 1.00 0.00 C ATOM 872 O PHE A 54 76.550 83.370 40.460 1.00 0.00 O ATOM 873 CB PHE A 54 75.600 81.770 37.750 1.00 0.00 C ATOM 874 CG PHE A 54 75.340 80.300 37.460 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.230 79.350 38.480 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.240 79.840 36.170 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.830 78.040 38.180 1.00 0.00 C ATOM 878 CE2 PHE A 54 74.970 78.520 35.860 1.00 0.00 C ATOM 879 CZ PHE A 54 74.750 77.600 36.880 1.00 0.00 C ATOM 0 H PHE A 54 73.296 82.805 37.827 1.00 0.00 H new ATOM 0 HA PHE A 54 75.051 81.501 39.779 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.217 82.360 36.918 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.678 81.931 37.785 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.453 79.626 39.500 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.379 80.541 35.361 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.580 77.364 38.985 1.00 0.00 H new ATOM 0 HE2 PHE A 54 74.930 78.204 34.828 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.523 76.568 36.657 1.00 0.00 H new ATOM 889 N LYS A 55 75.300 84.600 39.020 1.00 0.00 N ATOM 890 CA LYS A 55 75.600 85.930 39.460 1.00 0.00 C ATOM 891 C LYS A 55 75.010 86.250 40.830 1.00 0.00 C ATOM 892 O LYS A 55 75.610 86.850 41.660 1.00 0.00 O ATOM 893 CB LYS A 55 75.090 86.910 38.390 1.00 0.00 C ATOM 894 CG LYS A 55 75.850 86.730 37.080 1.00 0.00 C ATOM 895 CD LYS A 55 75.280 87.700 36.050 1.00 0.00 C ATOM 896 CE LYS A 55 76.040 87.540 34.770 1.00 0.00 C ATOM 897 NZ LYS A 55 75.580 88.540 33.790 1.00 0.00 N ATOM 0 H LYS A 55 74.693 84.593 38.201 1.00 0.00 H new ATOM 0 HA LYS A 55 76.679 86.025 39.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 74.025 86.749 38.222 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.206 87.934 38.744 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.913 86.919 37.230 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.756 85.703 36.726 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.221 87.500 35.888 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.360 88.725 36.411 1.00 0.00 H new ATOM 0 HE2 LYS A 55 77.108 87.660 34.953 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.896 86.535 34.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.110 88.426 32.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.565 88.405 33.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.740 89.496 34.168 1.00 0.00 H new ATOM 911 N GLU A 56 73.750 85.860 41.110 1.00 0.00 N ATOM 912 CA GLU A 56 73.210 86.180 42.430 1.00 0.00 C ATOM 913 C GLU A 56 74.010 85.600 43.600 1.00 0.00 C ATOM 914 O GLU A 56 73.990 86.210 44.710 1.00 0.00 O ATOM 915 CB GLU A 56 71.780 85.680 42.460 1.00 0.00 C ATOM 916 CG GLU A 56 70.880 86.500 41.540 1.00 0.00 C ATOM 917 CD GLU A 56 69.430 86.020 41.600 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.160 85.010 42.300 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.580 86.690 40.980 1.00 0.00 O ATOM 0 H GLU A 56 73.127 85.355 40.480 1.00 0.00 H new ATOM 0 HA GLU A 56 73.270 87.259 42.569 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.753 84.633 42.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.399 85.727 43.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.928 87.551 41.825 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.245 86.430 40.515 1.00 0.00 H new ATOM 926 N LYS A 57 74.730 84.520 43.430 1.00 0.00 N ATOM 927 CA LYS A 57 75.610 83.850 44.450 1.00 0.00 C ATOM 928 C LYS A 57 77.090 83.800 44.060 1.00 0.00 C ATOM 929 O LYS A 57 77.400 83.510 42.990 1.00 0.00 O ATOM 930 CB LYS A 57 75.160 82.410 44.580 1.00 0.00 C ATOM 931 CG LYS A 57 73.790 82.360 45.260 1.00 0.00 C ATOM 932 CD LYS A 57 73.330 80.910 45.410 1.00 0.00 C ATOM 933 CE LYS A 57 71.980 80.870 46.110 1.00 0.00 C ATOM 934 NZ LYS A 57 71.530 79.470 46.330 1.00 0.00 N ATOM 0 H LYS A 57 74.743 84.029 42.536 1.00 0.00 H new ATOM 0 HA LYS A 57 75.519 84.433 45.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.106 81.945 43.596 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.887 81.842 45.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.844 82.836 46.239 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.063 82.921 44.673 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.256 80.439 44.430 1.00 0.00 H new ATOM 0 HD3 LYS A 57 74.064 80.343 45.982 1.00 0.00 H new ATOM 0 HE2 LYS A 57 72.048 81.388 47.067 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.241 81.403 45.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.548 79.366 46.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.142 78.821 45.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.585 79.243 47.343 1.00 0.00 H new ATOM 948 N GLY A 58 78.010 83.820 45.110 1.00 0.00 N ATOM 949 CA GLY A 58 79.440 84.010 44.830 1.00 0.00 C ATOM 950 C GLY A 58 80.220 82.820 44.240 1.00 0.00 C ATOM 951 O GLY A 58 81.330 82.980 43.800 1.00 0.00 O ATOM 0 H GLY A 58 77.771 83.710 46.096 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.538 84.849 44.141 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.928 84.302 45.760 1.00 0.00 H new ATOM 955 N HIS A 59 79.610 81.610 44.250 1.00 0.00 N ATOM 956 CA HIS A 59 80.340 80.330 44.220 1.00 0.00 C ATOM 957 C HIS A 59 81.200 80.150 42.940 1.00 0.00 C ATOM 958 O HIS A 59 82.350 79.740 42.970 1.00 0.00 O ATOM 959 CB HIS A 59 79.340 79.160 44.360 1.00 0.00 C ATOM 960 CG HIS A 59 78.520 79.200 45.630 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.060 79.060 46.910 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.170 79.390 45.770 1.00 0.00 C ATOM 963 CE1 HIS A 59 78.050 79.160 47.770 1.00 0.00 C ATOM 964 NE2 HIS A 59 76.900 79.370 47.110 1.00 0.00 N ATOM 0 H HIS A 59 78.596 81.500 44.279 1.00 0.00 H new ATOM 0 HA HIS A 59 81.033 80.335 45.061 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.665 79.168 43.504 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.890 78.219 44.324 1.00 0.00 H new ATOM 0 HD2 HIS A 59 76.455 79.529 44.973 1.00 0.00 H new ATOM 0 HE1 HIS A 59 78.142 79.083 48.843 1.00 0.00 H new ATOM 0 HE2 HIS A 59 75.981 79.494 47.536 1.00 0.00 H new ATOM 972 N THR A 60 80.590 80.520 41.800 1.00 0.00 N ATOM 973 CA THR A 60 81.220 80.420 40.490 1.00 0.00 C ATOM 974 C THR A 60 82.140 81.560 40.210 1.00 0.00 C ATOM 975 O THR A 60 81.910 82.670 40.680 1.00 0.00 O ATOM 976 CB THR A 60 80.180 80.300 39.390 1.00 0.00 C ATOM 977 OG1 THR A 60 80.820 80.100 38.160 1.00 0.00 O ATOM 978 CG2 THR A 60 79.320 81.510 39.270 1.00 0.00 C ATOM 0 H THR A 60 79.643 80.897 41.771 1.00 0.00 H new ATOM 0 HA THR A 60 81.823 79.512 40.506 1.00 0.00 H new ATOM 0 HB THR A 60 79.544 79.455 39.654 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.023 79.148 38.048 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.597 81.364 38.468 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.792 81.675 40.209 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.941 82.377 39.046 1.00 0.00 H new ATOM 986 N ALA A 61 83.190 81.360 39.460 1.00 0.00 N ATOM 987 CA ALA A 61 84.060 82.430 39.070 1.00 0.00 C ATOM 988 C ALA A 61 83.640 82.960 37.750 1.00 0.00 C ATOM 989 O ALA A 61 83.590 84.150 37.580 1.00 0.00 O ATOM 990 CB ALA A 61 85.470 81.940 38.920 1.00 0.00 C ATOM 0 H ALA A 61 83.465 80.445 39.102 1.00 0.00 H new ATOM 0 HA ALA A 61 84.007 83.199 39.841 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.113 82.768 38.624 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.817 81.533 39.870 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.506 81.162 38.157 1.00 0.00 H new ATOM 996 N TYR A 62 83.350 82.000 36.820 1.00 0.00 N ATOM 997 CA TYR A 62 82.920 82.440 35.500 1.00 0.00 C ATOM 998 C TYR A 62 81.730 81.650 34.980 1.00 0.00 C ATOM 999 O TYR A 62 81.430 80.560 35.390 1.00 0.00 O ATOM 1000 CB TYR A 62 84.110 82.390 34.550 1.00 0.00 C ATOM 1001 CG TYR A 62 85.160 83.410 34.870 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.040 84.710 34.400 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.250 83.090 35.700 1.00 0.00 C ATOM 1004 CE1 TYR A 62 85.950 85.680 34.740 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.220 84.040 36.020 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.070 85.350 35.500 1.00 0.00 C ATOM 1007 OH TYR A 62 88.010 86.320 35.470 1.00 0.00 O ATOM 0 H TYR A 62 83.406 80.992 36.963 1.00 0.00 H new ATOM 0 HA TYR A 62 82.567 83.469 35.571 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.555 81.396 34.586 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.760 82.546 33.530 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.213 84.964 33.753 1.00 0.00 H new ATOM 0 HD2 TYR A 62 86.337 82.089 36.097 1.00 0.00 H new ATOM 0 HE1 TYR A 62 85.798 86.700 34.418 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.062 83.784 36.646 1.00 0.00 H new ATOM 0 HH TYR A 62 88.777 86.049 36.016 1.00 0.00 H new ATOM 1017 N LEU A 63 81.000 82.250 34.030 1.00 0.00 N ATOM 1018 CA LEU A 63 80.050 81.490 33.220 1.00 0.00 C ATOM 1019 C LEU A 63 80.110 81.850 31.750 1.00 0.00 C ATOM 1020 O LEU A 63 80.050 82.980 31.390 1.00 0.00 O ATOM 1021 CB LEU A 63 78.650 81.770 33.770 1.00 0.00 C ATOM 1022 CG LEU A 63 77.550 81.150 32.910 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.710 79.650 32.850 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.190 81.470 33.490 1.00 0.00 C ATOM 0 H LEU A 63 81.050 83.244 33.809 1.00 0.00 H new ATOM 0 HA LEU A 63 80.304 80.432 33.284 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.577 81.380 34.785 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.496 82.847 33.831 1.00 0.00 H new ATOM 0 HG LEU A 63 77.631 81.567 31.906 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.918 79.224 32.234 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.679 79.405 32.416 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.648 79.237 33.857 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.415 81.023 32.868 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.122 81.068 34.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.052 82.551 33.520 1.00 0.00 H new ATOM 1036 N ASP A 64 80.060 80.770 30.860 1.00 0.00 N ATOM 1037 CA ASP A 64 79.850 81.040 29.470 1.00 0.00 C ATOM 1038 C ASP A 64 79.390 79.740 28.740 1.00 0.00 C ATOM 1039 O ASP A 64 79.540 78.640 29.260 1.00 0.00 O ATOM 1040 CB ASP A 64 81.100 81.570 28.830 1.00 0.00 C ATOM 1041 CG ASP A 64 80.910 82.470 27.640 1.00 0.00 C ATOM 1042 OD1 ASP A 64 79.460 82.500 27.280 1.00 0.00 O ATOM 1043 OD2 ASP A 64 81.620 83.030 27.150 1.00 0.00 O ATOM 0 H ASP A 64 80.161 79.787 31.113 1.00 0.00 H new ATOM 0 HA ASP A 64 79.073 81.799 29.383 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.666 82.116 29.585 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.713 80.722 28.523 1.00 0.00 H new ATOM 1048 N GLU A 65 78.790 79.850 27.590 1.00 0.00 N ATOM 1049 CA GLU A 65 78.260 78.690 26.860 1.00 0.00 C ATOM 1050 C GLU A 65 79.340 77.680 26.420 1.00 0.00 C ATOM 1051 O GLU A 65 80.430 78.020 26.090 1.00 0.00 O ATOM 1052 CB GLU A 65 77.500 79.210 25.660 1.00 0.00 C ATOM 1053 CG GLU A 65 76.230 79.950 26.080 1.00 0.00 C ATOM 1054 CD GLU A 65 75.470 80.460 24.820 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.020 80.530 23.720 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.300 80.910 24.860 1.00 0.00 O ATOM 0 H GLU A 65 78.644 80.741 27.114 1.00 0.00 H new ATOM 0 HA GLU A 65 77.611 78.134 27.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.140 79.880 25.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.239 78.379 25.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 75.587 79.287 26.659 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.485 80.790 26.726 1.00 0.00 H new ATOM 1063 N VAL A 66 78.930 76.390 26.300 1.00 0.00 N ATOM 1064 CA VAL A 66 79.660 75.580 25.290 1.00 0.00 C ATOM 1065 C VAL A 66 79.230 76.010 23.900 1.00 0.00 C ATOM 1066 O VAL A 66 78.070 76.090 23.650 1.00 0.00 O ATOM 1067 CB VAL A 66 79.380 74.080 25.500 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.130 73.270 24.440 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.880 73.630 26.870 1.00 0.00 C ATOM 0 H VAL A 66 78.186 75.929 26.823 1.00 0.00 H new ATOM 0 HA VAL A 66 80.732 75.743 25.402 1.00 0.00 H new ATOM 0 HB VAL A 66 78.305 73.919 25.426 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.933 72.208 24.587 1.00 0.00 H new ATOM 0 HG12 VAL A 66 79.792 73.568 23.448 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.200 73.456 24.529 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.674 72.568 27.002 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.954 73.803 26.940 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.370 74.198 27.648 1.00 0.00 H new ATOM 1079 N ARG A 67 80.100 76.160 22.840 1.00 0.00 N ATOM 1080 CA ARG A 67 79.580 76.070 21.470 1.00 0.00 C ATOM 1081 C ARG A 67 79.490 74.620 20.980 1.00 0.00 C ATOM 1082 O ARG A 67 80.120 74.290 20.000 1.00 0.00 O ATOM 1083 CB ARG A 67 80.390 76.920 20.500 1.00 0.00 C ATOM 1084 CG ARG A 67 80.370 78.410 20.850 1.00 0.00 C ATOM 1085 CD ARG A 67 78.980 78.980 20.740 1.00 0.00 C ATOM 1086 NE ARG A 67 78.940 80.400 21.130 1.00 0.00 N ATOM 1087 CZ ARG A 67 77.860 81.140 21.080 1.00 0.00 C ATOM 1088 NH1 ARG A 67 76.710 80.600 20.780 1.00 0.00 N ATOM 1089 NH2 ARG A 67 77.890 82.440 21.350 1.00 0.00 N ATOM 0 H ARG A 67 81.102 76.333 22.921 1.00 0.00 H new ATOM 0 HA ARG A 67 78.566 76.470 21.499 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.422 76.568 20.491 1.00 0.00 H new ATOM 0 HB3 ARG A 67 79.998 76.784 19.492 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.745 78.553 21.864 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.041 78.951 20.183 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.623 78.874 19.715 1.00 0.00 H new ATOM 0 HD3 ARG A 67 78.302 78.409 21.374 1.00 0.00 H new ATOM 0 HE ARG A 67 79.804 80.832 21.458 1.00 0.00 H new ATOM 0 HH11 ARG A 67 76.651 79.601 20.584 1.00 0.00 H new ATOM 0 HH12 ARG A 67 75.870 81.177 20.741 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.770 82.888 21.605 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.033 82.991 21.303 1.00 0.00 H new ATOM 1103 N VAL A 68 78.730 73.790 21.630 1.00 0.00 N ATOM 1104 CA VAL A 68 77.660 73.000 21.010 1.00 0.00 C ATOM 1105 C VAL A 68 76.290 73.670 21.200 1.00 0.00 C ATOM 1106 O VAL A 68 75.270 73.200 20.800 1.00 0.00 O ATOM 1107 CB VAL A 68 77.600 71.620 21.610 1.00 0.00 C ATOM 1108 CG1 VAL A 68 78.940 70.850 21.420 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.270 71.600 23.110 1.00 0.00 C ATOM 0 H VAL A 68 78.824 73.625 22.632 1.00 0.00 H new ATOM 0 HA VAL A 68 77.888 72.935 19.946 1.00 0.00 H new ATOM 0 HB VAL A 68 76.787 71.135 21.069 1.00 0.00 H new ATOM 0 HG11 VAL A 68 78.857 69.859 21.866 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.156 70.752 20.356 1.00 0.00 H new ATOM 0 HG13 VAL A 68 79.747 71.399 21.905 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.246 70.569 23.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.032 72.154 23.658 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.297 72.063 23.275 1.00 0.00 H new ATOM 1119 N SER A 69 76.330 74.860 21.890 1.00 0.00 N ATOM 1120 CA SER A 69 75.120 75.630 22.160 1.00 0.00 C ATOM 1121 C SER A 69 74.470 76.030 20.880 1.00 0.00 C ATOM 1122 O SER A 69 73.280 75.990 20.730 1.00 0.00 O ATOM 1123 CB SER A 69 75.430 76.920 22.950 1.00 0.00 C ATOM 1124 OG SER A 69 76.090 77.870 22.120 1.00 0.00 O ATOM 0 H SER A 69 77.186 75.279 22.253 1.00 0.00 H new ATOM 0 HA SER A 69 74.462 74.992 22.750 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.505 77.347 23.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.056 76.684 23.811 1.00 0.00 H new ATOM 0 HG SER A 69 76.117 78.738 22.574 1.00 0.00 H new ATOM 1130 N THR A 70 75.260 76.510 19.910 1.00 0.00 N ATOM 1131 CA THR A 70 74.700 77.090 18.720 1.00 0.00 C ATOM 1132 C THR A 70 73.870 76.050 17.990 1.00 0.00 C ATOM 1133 O THR A 70 72.800 76.320 17.540 1.00 0.00 O ATOM 1134 CB THR A 70 75.810 77.630 17.820 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.520 78.630 18.520 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.230 78.230 16.560 1.00 0.00 C ATOM 0 H THR A 70 76.279 76.501 19.941 1.00 0.00 H new ATOM 0 HA THR A 70 74.054 77.924 18.995 1.00 0.00 H new ATOM 0 HB THR A 70 76.473 76.810 17.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.236 78.982 17.951 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.037 78.609 15.933 1.00 0.00 H new ATOM 0 HG22 THR A 70 74.675 77.466 16.015 1.00 0.00 H new ATOM 0 HG23 THR A 70 74.559 79.048 16.822 1.00 0.00 H new ATOM 1144 N ASP A 71 74.490 74.810 17.980 1.00 0.00 N ATOM 1145 CA ASP A 71 73.940 73.630 17.400 1.00 0.00 C ATOM 1146 C ASP A 71 72.700 73.040 18.070 1.00 0.00 C ATOM 1147 O ASP A 71 71.810 72.630 17.400 1.00 0.00 O ATOM 1148 CB ASP A 71 75.040 72.600 17.340 1.00 0.00 C ATOM 1149 CG ASP A 71 76.180 72.900 16.390 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.810 74.000 15.480 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.170 72.540 16.380 1.00 0.00 O ATOM 0 H ASP A 71 75.407 74.656 18.399 1.00 0.00 H new ATOM 0 HA ASP A 71 73.570 73.924 16.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.451 72.478 18.342 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.600 71.644 17.057 1.00 0.00 H new ATOM 1156 N GLU A 72 72.710 73.040 19.450 1.00 0.00 N ATOM 1157 CA GLU A 72 71.560 72.500 20.200 1.00 0.00 C ATOM 1158 C GLU A 72 71.380 73.040 21.620 1.00 0.00 C ATOM 1159 O GLU A 72 70.830 72.370 22.480 1.00 0.00 O ATOM 1160 CB GLU A 72 71.640 70.980 20.250 1.00 0.00 C ATOM 1161 CG GLU A 72 72.780 70.530 21.130 1.00 0.00 C ATOM 1162 CD GLU A 72 72.840 69.070 21.220 1.00 0.00 C ATOM 1163 OE1 GLU A 72 72.030 68.320 20.600 1.00 0.00 O ATOM 1164 OE2 GLU A 72 73.750 68.710 21.970 1.00 0.00 O ATOM 0 H GLU A 72 73.474 73.395 20.025 1.00 0.00 H new ATOM 0 HA GLU A 72 70.686 72.842 19.646 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.701 70.575 20.628 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.775 70.586 19.243 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.721 70.911 20.733 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.661 70.953 22.127 1.00 0.00 H new ATOM 1171 N LYS A 73 71.840 74.200 21.990 1.00 0.00 N ATOM 1172 CA LYS A 73 71.320 75.110 23.020 1.00 0.00 C ATOM 1173 C LYS A 73 71.180 74.580 24.440 1.00 0.00 C ATOM 1174 O LYS A 73 70.270 75.000 25.190 1.00 0.00 O ATOM 1175 CB LYS A 73 70.020 75.670 22.550 1.00 0.00 C ATOM 1176 CG LYS A 73 70.220 76.700 21.420 1.00 0.00 C ATOM 1177 CD LYS A 73 70.990 77.900 21.800 1.00 0.00 C ATOM 1178 CE LYS A 73 71.150 78.780 20.570 1.00 0.00 C ATOM 1179 NZ LYS A 73 71.920 79.940 20.960 1.00 0.00 N ATOM 0 H LYS A 73 72.672 74.589 21.545 1.00 0.00 H new ATOM 0 HA LYS A 73 72.098 75.866 23.126 1.00 0.00 H new ATOM 0 HB2 LYS A 73 69.381 74.861 22.196 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.503 76.142 23.386 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.726 76.210 20.588 1.00 0.00 H new ATOM 0 HG3 LYS A 73 69.241 77.014 21.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.476 78.445 22.591 1.00 0.00 H new ATOM 0 HD3 LYS A 73 71.967 77.615 22.192 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.655 78.235 19.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.176 79.079 20.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 72.048 80.564 20.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 71.417 80.454 21.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 72.850 79.637 21.312 1.00 0.00 H new ATOM 1193 N ASP A 74 72.130 73.810 24.850 1.00 0.00 N ATOM 1194 CA ASP A 74 71.970 72.930 26.020 1.00 0.00 C ATOM 1195 C ASP A 74 72.940 73.130 27.160 1.00 0.00 C ATOM 1196 O ASP A 74 72.530 73.280 28.300 1.00 0.00 O ATOM 1197 CB ASP A 74 71.960 71.520 25.530 1.00 0.00 C ATOM 1198 CG ASP A 74 70.700 71.080 24.810 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.540 71.820 25.350 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.530 70.270 24.200 1.00 0.00 O ATOM 0 H ASP A 74 73.046 73.753 24.405 1.00 0.00 H new ATOM 0 HA ASP A 74 71.024 73.203 26.488 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.807 71.383 24.857 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.119 70.858 26.381 1.00 0.00 H new ATOM 1205 N PHE A 75 74.260 73.090 26.900 1.00 0.00 N ATOM 1206 CA PHE A 75 75.250 73.080 27.970 1.00 0.00 C ATOM 1207 C PHE A 75 75.910 74.420 28.160 1.00 0.00 C ATOM 1208 O PHE A 75 76.570 74.930 27.210 1.00 0.00 O ATOM 1209 CB PHE A 75 76.300 72.010 27.710 1.00 0.00 C ATOM 1210 CG PHE A 75 75.800 70.650 28.030 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.160 69.910 27.040 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.910 70.130 29.310 1.00 0.00 C ATOM 1213 CE1 PHE A 75 74.690 68.650 27.380 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.480 68.870 29.650 1.00 0.00 C ATOM 1215 CZ PHE A 75 74.850 68.130 28.670 1.00 0.00 C ATOM 0 H PHE A 75 74.655 73.064 25.960 1.00 0.00 H new ATOM 0 HA PHE A 75 74.717 72.851 28.893 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.604 72.047 26.664 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.187 72.220 28.308 1.00 0.00 H new ATOM 0 HD1 PHE A 75 75.034 70.303 26.042 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.355 70.745 30.078 1.00 0.00 H new ATOM 0 HE1 PHE A 75 74.188 68.055 26.631 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.629 68.475 30.644 1.00 0.00 H new ATOM 0 HZ PHE A 75 74.478 67.143 28.900 1.00 0.00 H new ATOM 1225 N LEU A 76 75.830 74.950 29.330 1.00 0.00 N ATOM 1226 CA LEU A 76 76.700 76.010 29.860 1.00 0.00 C ATOM 1227 C LEU A 76 77.920 75.460 30.530 1.00 0.00 C ATOM 1228 O LEU A 76 77.840 74.440 31.180 1.00 0.00 O ATOM 1229 CB LEU A 76 75.890 76.830 30.840 1.00 0.00 C ATOM 1230 CG LEU A 76 74.780 77.640 30.230 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.950 78.350 31.290 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.370 78.690 29.300 1.00 0.00 C ATOM 0 H LEU A 76 75.122 74.657 30.004 1.00 0.00 H new ATOM 0 HA LEU A 76 77.051 76.626 29.032 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.462 76.159 31.585 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.563 77.505 31.369 1.00 0.00 H new ATOM 0 HG LEU A 76 74.134 76.953 29.684 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.159 78.924 30.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.507 77.613 31.960 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.589 79.022 31.862 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.565 79.277 28.858 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.030 79.347 29.866 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.937 78.198 28.510 1.00 0.00 H new ATOM 1244 N TYR A 77 79.090 76.140 30.320 1.00 0.00 N ATOM 1245 CA TYR A 77 80.300 75.840 31.010 1.00 0.00 C ATOM 1246 C TYR A 77 80.440 76.920 32.120 1.00 0.00 C ATOM 1247 O TYR A 77 80.710 78.090 31.850 1.00 0.00 O ATOM 1248 CB TYR A 77 81.520 75.850 30.090 1.00 0.00 C ATOM 1249 CG TYR A 77 82.790 75.420 30.800 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.500 76.370 31.550 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.270 74.140 30.760 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.700 76.070 32.210 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.520 73.830 31.340 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.190 74.770 32.140 1.00 0.00 C ATOM 1255 OH TYR A 77 86.300 74.410 32.840 1.00 0.00 O ATOM 0 H TYR A 77 79.177 76.909 29.655 1.00 0.00 H new ATOM 0 HA TYR A 77 80.257 74.832 31.422 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.338 75.186 29.245 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.656 76.853 29.685 1.00 0.00 H new ATOM 0 HD1 TYR A 77 83.106 77.373 31.622 1.00 0.00 H new ATOM 0 HD2 TYR A 77 82.691 73.363 30.283 1.00 0.00 H new ATOM 0 HE1 TYR A 77 85.232 76.831 32.761 1.00 0.00 H new ATOM 0 HE2 TYR A 77 84.965 72.861 31.167 1.00 0.00 H new ATOM 0 HH TYR A 77 86.361 74.948 33.657 1.00 0.00 H new ATOM 1265 N GLU A 78 80.220 76.480 33.320 1.00 0.00 N ATOM 1266 CA GLU A 78 80.220 77.320 34.540 1.00 0.00 C ATOM 1267 C GLU A 78 81.350 76.830 35.460 1.00 0.00 C ATOM 1268 O GLU A 78 81.450 75.670 35.740 1.00 0.00 O ATOM 1269 CB GLU A 78 78.880 77.180 35.240 1.00 0.00 C ATOM 1270 CG GLU A 78 78.590 78.270 36.250 1.00 0.00 C ATOM 1271 CD GLU A 78 79.090 77.820 37.600 1.00 0.00 C ATOM 1272 OE1 GLU A 78 80.270 77.530 37.740 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.240 77.760 38.490 1.00 0.00 O ATOM 0 H GLU A 78 80.026 75.498 33.514 1.00 0.00 H new ATOM 0 HA GLU A 78 80.378 78.368 34.287 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.089 77.176 34.490 1.00 0.00 H new ATOM 0 HB3 GLU A 78 78.845 76.214 35.744 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.079 79.199 35.956 1.00 0.00 H new ATOM 0 HG3 GLU A 78 77.520 78.473 36.291 1.00 0.00 H new ATOM 1280 N LEU A 79 82.320 77.670 35.900 1.00 0.00 N ATOM 1281 CA LEU A 79 83.490 77.140 36.610 1.00 0.00 C ATOM 1282 C LEU A 79 83.590 77.810 37.940 1.00 0.00 C ATOM 1283 O LEU A 79 83.540 79.030 38.060 1.00 0.00 O ATOM 1284 CB LEU A 79 84.780 77.340 35.800 1.00 0.00 C ATOM 1285 CG LEU A 79 84.940 78.760 35.260 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.280 78.940 34.610 1.00 0.00 C ATOM 1287 CD2 LEU A 79 83.920 79.020 34.150 1.00 0.00 C ATOM 0 H LEU A 79 82.311 78.683 35.777 1.00 0.00 H new ATOM 0 HA LEU A 79 83.365 76.066 36.747 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.637 77.099 36.429 1.00 0.00 H new ATOM 0 HB3 LEU A 79 84.790 76.638 34.966 1.00 0.00 H new ATOM 0 HG LEU A 79 84.812 79.433 36.108 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.368 79.959 34.234 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.067 78.753 35.341 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.380 78.238 33.782 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.044 80.035 33.773 1.00 0.00 H new ATOM 0 HD22 LEU A 79 84.077 78.310 33.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 82.912 78.901 34.547 1.00 0.00 H new ATOM 1299 N HIS A 80 83.900 77.020 38.990 1.00 0.00 N ATOM 1300 CA HIS A 80 83.640 77.350 40.370 1.00 0.00 C ATOM 1301 C HIS A 80 84.990 77.500 40.980 1.00 0.00 C ATOM 1302 O HIS A 80 85.840 76.620 40.860 1.00 0.00 O ATOM 1303 CB HIS A 80 82.850 76.280 41.150 1.00 0.00 C ATOM 1304 CG HIS A 80 81.700 75.740 40.380 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.860 75.040 39.200 1.00 0.00 N ATOM 1306 CD2 HIS A 80 80.400 75.900 40.650 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.650 74.850 38.790 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.720 75.440 39.540 1.00 0.00 N ATOM 0 H HIS A 80 84.351 76.112 38.876 1.00 0.00 H new ATOM 0 HA HIS A 80 83.016 78.243 40.415 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.520 75.462 41.416 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.487 76.711 42.083 1.00 0.00 H new ATOM 0 HD2 HIS A 80 79.969 76.307 41.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 80.413 74.264 37.915 1.00 0.00 H new ATOM 0 HE2 HIS A 80 78.724 75.532 39.338 1.00 0.00 H new ATOM 1316 N ILE A 81 85.190 78.670 41.570 1.00 0.00 N ATOM 1317 CA ILE A 81 86.540 79.100 41.930 1.00 0.00 C ATOM 1318 C ILE A 81 87.600 78.840 40.880 1.00 0.00 C ATOM 1319 O ILE A 81 88.630 78.230 41.150 1.00 0.00 O ATOM 1320 CB ILE A 81 86.910 78.470 43.290 1.00 0.00 C ATOM 1321 CG1 ILE A 81 85.960 79.060 44.310 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.360 78.780 43.710 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.100 80.560 44.530 1.00 0.00 C ATOM 0 H ILE A 81 84.451 79.331 41.808 1.00 0.00 H new ATOM 0 HA ILE A 81 86.520 80.187 42.003 1.00 0.00 H new ATOM 0 HB ILE A 81 86.830 77.385 43.219 1.00 0.00 H new ATOM 0 HG12 ILE A 81 84.938 78.848 43.997 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.113 78.553 45.263 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.568 78.313 44.673 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.048 78.387 42.961 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.492 79.859 43.794 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.377 80.887 45.278 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.108 80.784 44.878 1.00 0.00 H new ATOM 0 HD13 ILE A 81 85.915 81.084 43.592 1.00 0.00 H new ATOM 1335 N ILE A 82 87.430 79.170 39.570 1.00 0.00 N ATOM 1336 CA ILE A 82 88.620 79.140 38.740 1.00 0.00 C ATOM 1337 C ILE A 82 89.750 80.130 39.270 1.00 0.00 C ATOM 1338 O ILE A 82 90.790 80.220 38.850 1.00 0.00 O ATOM 1339 CB ILE A 82 88.360 79.420 37.250 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.500 78.900 36.360 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.240 80.920 37.020 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.580 77.380 36.360 1.00 0.00 C ATOM 1343 OXT ILE A 82 89.220 81.040 40.070 1.00 0.00 O ATOM 0 H ILE A 82 86.556 79.435 39.116 1.00 0.00 H new ATOM 0 HA ILE A 82 88.969 78.111 38.820 1.00 0.00 H new ATOM 0 HB ILE A 82 87.437 78.904 36.985 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.353 79.255 35.340 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.447 79.312 36.708 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.056 81.112 35.963 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.412 81.313 37.610 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.166 81.410 37.322 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.400 77.059 35.718 1.00 0.00 H new ATOM 0 HD12 ILE A 82 89.754 77.025 37.376 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.643 76.966 35.987 1.00 0.00 H new TER 1355 ILE A 82