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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 SER OG : rot -86:sc= 1.07 USER MOD Set 2.2: A 2 HIS : no HD1:sc= 0.932 K(o=2,f=-6.6!) USER MOD Single : A 1 SER N :NH3+ -106:sc= 0.0621 (180deg=0) USER MOD Single : A 3 MET CE :methyl 150:sc= -0.0727 (180deg=-0.634) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.743 K(o=-0.74,f=-3.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0945 K(o=-0.094,f=-1.4) USER MOD Single : A 29 SER OG : rot -29:sc= 0.899 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 42 ASN : amide:sc= -0.094 K(o=-0.094,f=-2.6!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -2.6 F(o=-5.1!,f=-2.6) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -128:sc= -0.369 (180deg=-2.53) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= -1.81! (180deg=-1.97!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.69! C(o=-3!,f=-1.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -95:sc= -1.91! USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00928 USER MOD Single : A 80 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 84.740 61.720 37.510 1.00 0.00 N ATOM 2 CA SER A 1 84.410 62.120 36.120 1.00 0.00 C ATOM 3 C SER A 1 83.000 61.770 35.690 1.00 0.00 C ATOM 4 O SER A 1 82.440 60.870 36.290 1.00 0.00 O ATOM 5 CB SER A 1 85.410 61.580 35.130 1.00 0.00 C ATOM 6 OG SER A 1 85.040 62.050 33.880 1.00 0.00 O ATOM 0 H1 SER A 1 84.763 62.564 38.118 1.00 0.00 H new ATOM 0 H2 SER A 1 84.018 61.059 37.862 1.00 0.00 H new ATOM 0 H3 SER A 1 85.671 61.256 37.526 1.00 0.00 H new ATOM 0 HA SER A 1 84.467 63.209 36.125 1.00 0.00 H new ATOM 0 HB2 SER A 1 86.418 61.909 35.382 1.00 0.00 H new ATOM 0 HB3 SER A 1 85.417 60.490 35.145 1.00 0.00 H new ATOM 0 HG SER A 1 84.376 61.446 33.487 1.00 0.00 H new ATOM 14 N HIS A 2 82.390 62.640 34.860 1.00 0.00 N ATOM 15 CA HIS A 2 81.010 62.780 34.360 1.00 0.00 C ATOM 16 C HIS A 2 79.830 62.900 35.340 1.00 0.00 C ATOM 17 O HIS A 2 78.730 62.430 35.060 1.00 0.00 O ATOM 18 CB HIS A 2 80.850 61.620 33.430 1.00 0.00 C ATOM 19 CG HIS A 2 81.720 61.640 32.230 1.00 0.00 C ATOM 20 ND1 HIS A 2 83.060 61.320 32.260 1.00 0.00 N ATOM 21 CD2 HIS A 2 81.400 61.970 30.950 1.00 0.00 C ATOM 22 CE1 HIS A 2 83.530 61.410 31.020 1.00 0.00 C ATOM 23 NE2 HIS A 2 82.560 61.850 30.210 1.00 0.00 N ATOM 0 H HIS A 2 82.957 63.387 34.459 1.00 0.00 H new ATOM 0 HA HIS A 2 80.932 63.773 33.917 1.00 0.00 H new ATOM 0 HB2 HIS A 2 81.046 60.702 33.984 1.00 0.00 H new ATOM 0 HB3 HIS A 2 79.811 61.579 33.103 1.00 0.00 H new ATOM 0 HD2 HIS A 2 80.429 62.268 30.584 1.00 0.00 H new ATOM 0 HE1 HIS A 2 84.537 61.166 30.714 1.00 0.00 H new ATOM 0 HE2 HIS A 2 82.660 62.061 29.217 1.00 0.00 H new ATOM 31 N MET A 3 80.010 63.610 36.460 1.00 0.00 N ATOM 32 CA MET A 3 78.990 64.170 37.350 1.00 0.00 C ATOM 33 C MET A 3 79.120 65.700 37.660 1.00 0.00 C ATOM 34 O MET A 3 78.770 66.170 38.730 1.00 0.00 O ATOM 35 CB MET A 3 79.020 63.380 38.640 1.00 0.00 C ATOM 36 CG MET A 3 78.460 61.990 38.410 1.00 0.00 C ATOM 37 SD MET A 3 78.460 61.060 39.880 1.00 0.00 S ATOM 38 CE MET A 3 77.120 61.870 40.730 1.00 0.00 C ATOM 0 H MET A 3 80.950 63.824 36.793 1.00 0.00 H new ATOM 0 HA MET A 3 78.040 64.084 36.823 1.00 0.00 H new ATOM 0 HB2 MET A 3 80.043 63.312 39.011 1.00 0.00 H new ATOM 0 HB3 MET A 3 78.437 63.894 39.404 1.00 0.00 H new ATOM 0 HG2 MET A 3 77.443 62.064 38.024 1.00 0.00 H new ATOM 0 HG3 MET A 3 79.052 61.477 37.652 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.622 61.157 41.387 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.512 62.697 41.322 1.00 0.00 H new ATOM 0 HE3 MET A 3 76.405 62.252 40.001 1.00 0.00 H new ATOM 48 N LYS A 4 79.700 66.420 36.720 1.00 0.00 N ATOM 49 CA LYS A 4 80.140 67.830 36.800 1.00 0.00 C ATOM 50 C LYS A 4 79.180 68.680 36.010 1.00 0.00 C ATOM 51 O LYS A 4 79.610 69.520 35.220 1.00 0.00 O ATOM 52 CB LYS A 4 81.590 68.050 36.370 1.00 0.00 C ATOM 53 CG LYS A 4 82.590 67.340 37.280 1.00 0.00 C ATOM 54 CD LYS A 4 84.000 67.570 36.810 1.00 0.00 C ATOM 55 CE LYS A 4 85.010 66.880 37.720 1.00 0.00 C ATOM 56 NZ LYS A 4 86.370 67.080 37.220 1.00 0.00 N ATOM 0 H LYS A 4 79.898 66.019 35.804 1.00 0.00 H new ATOM 0 HA LYS A 4 80.123 68.128 37.848 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.719 67.694 35.348 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.805 69.119 36.365 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.479 67.703 38.302 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.378 66.271 37.296 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.111 67.197 35.792 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.205 68.640 36.781 1.00 0.00 H new ATOM 0 HE2 LYS A 4 84.926 67.276 38.732 1.00 0.00 H new ATOM 0 HE3 LYS A 4 84.790 65.814 37.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.045 66.604 37.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.450 66.681 36.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.583 68.098 37.190 1.00 0.00 H new ATOM 70 N LEU A 5 77.910 68.280 36.020 1.00 0.00 N ATOM 71 CA LEU A 5 76.940 69.060 35.320 1.00 0.00 C ATOM 72 C LEU A 5 75.780 69.330 36.210 1.00 0.00 C ATOM 73 O LEU A 5 75.590 68.570 37.140 1.00 0.00 O ATOM 74 CB LEU A 5 76.540 68.370 34.010 1.00 0.00 C ATOM 75 CG LEU A 5 75.920 66.990 34.210 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.620 67.050 34.990 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.580 66.370 32.860 1.00 0.00 C ATOM 0 H LEU A 5 77.555 67.448 36.492 1.00 0.00 H new ATOM 0 HA LEU A 5 77.368 70.023 35.042 1.00 0.00 H new ATOM 0 HB2 LEU A 5 75.831 69.004 33.477 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.421 68.275 33.376 1.00 0.00 H new ATOM 0 HG LEU A 5 76.656 66.403 34.759 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.218 66.043 35.106 1.00 0.00 H new ATOM 0 HD12 LEU A 5 74.805 67.482 35.973 1.00 0.00 H new ATOM 0 HD13 LEU A 5 73.901 67.668 34.452 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.138 65.385 33.013 1.00 0.00 H new ATOM 0 HD22 LEU A 5 74.870 67.009 32.335 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.488 66.272 32.266 1.00 0.00 H new ATOM 89 N VAL A 6 74.970 70.240 35.740 1.00 0.00 N ATOM 90 CA VAL A 6 73.670 70.530 36.340 1.00 0.00 C ATOM 91 C VAL A 6 72.510 70.470 35.360 1.00 0.00 C ATOM 92 O VAL A 6 72.360 71.330 34.490 1.00 0.00 O ATOM 93 CB VAL A 6 73.710 71.900 36.990 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.330 72.290 37.490 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.680 71.880 38.130 1.00 0.00 C ATOM 0 H VAL A 6 75.184 70.813 34.923 1.00 0.00 H new ATOM 0 HA VAL A 6 73.490 69.748 37.077 1.00 0.00 H new ATOM 0 HB VAL A 6 74.030 72.635 36.252 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.376 73.275 37.954 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.633 72.315 36.652 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.989 71.559 38.224 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.711 72.864 38.599 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.364 71.138 38.863 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.672 71.624 37.759 1.00 0.00 H new ATOM 105 N LEU A 7 71.630 69.490 35.520 1.00 0.00 N ATOM 106 CA LEU A 7 70.500 69.310 34.610 1.00 0.00 C ATOM 107 C LEU A 7 69.370 70.270 34.940 1.00 0.00 C ATOM 108 O LEU A 7 69.040 70.460 36.100 1.00 0.00 O ATOM 109 CB LEU A 7 69.990 67.880 34.610 1.00 0.00 C ATOM 110 CG LEU A 7 71.060 66.870 34.210 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.590 65.450 34.480 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.340 66.970 32.730 1.00 0.00 C ATOM 0 H LEU A 7 71.675 68.804 36.273 1.00 0.00 H new ATOM 0 HA LEU A 7 70.866 69.533 33.608 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.617 67.632 35.604 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.147 67.800 33.924 1.00 0.00 H new ATOM 0 HG LEU A 7 71.953 67.092 34.794 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.370 64.747 34.187 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.377 65.333 35.543 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.686 65.250 33.904 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.106 66.245 32.455 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.427 66.763 32.172 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.690 67.975 32.493 1.00 0.00 H new ATOM 124 N ALA A 8 68.760 70.780 33.900 1.00 0.00 N ATOM 125 CA ALA A 8 67.490 71.520 33.850 1.00 0.00 C ATOM 126 C ALA A 8 66.330 70.660 34.310 1.00 0.00 C ATOM 127 O ALA A 8 66.190 69.500 33.900 1.00 0.00 O ATOM 128 CB ALA A 8 67.220 71.990 32.430 1.00 0.00 C ATOM 0 H ALA A 8 69.166 70.687 32.969 1.00 0.00 H new ATOM 0 HA ALA A 8 67.579 72.375 34.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.278 72.537 32.401 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.029 72.643 32.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.159 71.127 31.767 1.00 0.00 H new ATOM 134 N LYS A 9 65.450 71.270 35.130 1.00 0.00 N ATOM 135 CA LYS A 9 64.260 70.610 35.670 1.00 0.00 C ATOM 136 C LYS A 9 63.380 70.150 34.520 1.00 0.00 C ATOM 137 O LYS A 9 62.890 69.040 34.570 1.00 0.00 O ATOM 138 CB LYS A 9 63.470 71.570 36.580 1.00 0.00 C ATOM 139 CG LYS A 9 62.250 70.870 37.210 1.00 0.00 C ATOM 140 CD LYS A 9 61.510 71.810 38.160 1.00 0.00 C ATOM 141 CE LYS A 9 60.290 71.130 38.770 1.00 0.00 C ATOM 142 NZ LYS A 9 59.600 72.040 39.710 1.00 0.00 N ATOM 0 H LYS A 9 65.552 72.239 35.433 1.00 0.00 H new ATOM 0 HA LYS A 9 64.571 69.752 36.266 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.122 71.947 37.368 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.138 72.432 36.001 1.00 0.00 H new ATOM 0 HG2 LYS A 9 61.573 70.534 36.424 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.575 69.982 37.752 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.184 72.134 38.953 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.199 72.705 37.621 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.603 70.827 37.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.596 70.223 39.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.772 71.558 40.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.252 72.309 40.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.290 72.893 39.203 1.00 0.00 H new ATOM 156 N ASN A 10 63.230 71.040 33.540 1.00 0.00 N ATOM 157 CA ASN A 10 62.160 71.210 32.530 1.00 0.00 C ATOM 158 C ASN A 10 62.020 69.970 31.630 1.00 0.00 C ATOM 159 O ASN A 10 60.960 69.400 31.390 1.00 0.00 O ATOM 160 CB ASN A 10 62.440 72.460 31.670 1.00 0.00 C ATOM 161 CG ASN A 10 61.380 72.800 30.670 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.770 71.950 30.130 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.060 74.020 30.380 1.00 0.00 N ATOM 0 H ASN A 10 63.944 71.757 33.411 1.00 0.00 H new ATOM 0 HA ASN A 10 61.218 71.338 33.064 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.577 73.314 32.334 1.00 0.00 H new ATOM 0 HB3 ASN A 10 63.382 72.313 31.141 1.00 0.00 H new ATOM 0 HD21 ASN A 10 60.312 74.206 29.712 1.00 0.00 H new ATOM 0 HD22 ASN A 10 61.556 74.796 30.819 1.00 0.00 H new ATOM 170 N THR A 11 63.110 69.420 31.200 1.00 0.00 N ATOM 171 CA THR A 11 63.000 68.380 30.210 1.00 0.00 C ATOM 172 C THR A 11 63.310 67.020 30.760 1.00 0.00 C ATOM 173 O THR A 11 62.820 66.080 30.200 1.00 0.00 O ATOM 174 CB THR A 11 63.890 68.750 29.050 1.00 0.00 C ATOM 175 OG1 THR A 11 65.190 68.900 29.560 1.00 0.00 O ATOM 176 CG2 THR A 11 63.470 70.070 28.430 1.00 0.00 C ATOM 0 H THR A 11 64.056 69.656 31.500 1.00 0.00 H new ATOM 0 HA THR A 11 61.966 68.308 29.872 1.00 0.00 H new ATOM 0 HB THR A 11 63.828 67.977 28.284 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.801 69.140 28.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.132 70.308 27.597 1.00 0.00 H new ATOM 0 HG22 THR A 11 62.445 69.992 28.068 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.532 70.860 29.179 1.00 0.00 H new ATOM 184 N ARG A 12 64.090 66.810 31.820 1.00 0.00 N ATOM 185 CA ARG A 12 64.330 65.460 32.350 1.00 0.00 C ATOM 186 C ARG A 12 63.530 65.140 33.570 1.00 0.00 C ATOM 187 O ARG A 12 63.010 64.050 33.730 1.00 0.00 O ATOM 188 CB ARG A 12 65.780 65.370 32.660 1.00 0.00 C ATOM 189 CG ARG A 12 66.630 65.240 31.410 1.00 0.00 C ATOM 190 CD ARG A 12 68.070 64.910 31.720 1.00 0.00 C ATOM 191 NE ARG A 12 68.850 64.760 30.480 1.00 0.00 N ATOM 192 CZ ARG A 12 70.130 64.460 30.460 1.00 0.00 C ATOM 193 NH1 ARG A 12 70.770 64.240 31.570 1.00 0.00 N ATOM 194 NH2 ARG A 12 70.770 64.380 29.330 1.00 0.00 N ATOM 0 H ARG A 12 64.567 67.553 32.331 1.00 0.00 H new ATOM 0 HA ARG A 12 64.017 64.734 31.600 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.086 66.257 33.214 1.00 0.00 H new ATOM 0 HB3 ARG A 12 65.958 64.512 33.308 1.00 0.00 H new ATOM 0 HG2 ARG A 12 66.212 64.463 30.770 1.00 0.00 H new ATOM 0 HG3 ARG A 12 66.588 66.173 30.847 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.504 65.698 32.335 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.120 63.989 32.300 1.00 0.00 H new ATOM 0 HE ARG A 12 68.372 64.896 29.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 70.279 64.300 32.462 1.00 0.00 H new ATOM 0 HH12 ARG A 12 71.763 64.008 31.549 1.00 0.00 H new ATOM 0 HH21 ARG A 12 70.279 64.550 28.452 1.00 0.00 H new ATOM 0 HH22 ARG A 12 71.763 64.147 29.322 1.00 0.00 H new ATOM 208 N LYS A 13 63.310 66.110 34.460 1.00 0.00 N ATOM 209 CA LYS A 13 62.500 65.910 35.620 1.00 0.00 C ATOM 210 C LYS A 13 62.780 64.610 36.360 1.00 0.00 C ATOM 211 O LYS A 13 61.800 63.930 36.620 1.00 0.00 O ATOM 212 CB LYS A 13 61.040 65.920 35.130 1.00 0.00 C ATOM 213 CG LYS A 13 60.630 67.310 34.700 1.00 0.00 C ATOM 214 CD LYS A 13 59.210 67.310 34.190 1.00 0.00 C ATOM 215 CE LYS A 13 58.750 68.700 33.790 1.00 0.00 C ATOM 216 NZ LYS A 13 57.350 68.680 33.320 1.00 0.00 N ATOM 0 H LYS A 13 63.698 67.050 34.379 1.00 0.00 H new ATOM 0 HA LYS A 13 62.720 66.700 36.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 60.926 65.228 34.296 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.382 65.571 35.926 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.720 67.998 35.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 61.302 67.669 33.921 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.133 66.642 33.332 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.548 66.917 34.961 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.842 69.376 34.640 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.396 69.088 33.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.060 69.642 33.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.270 68.052 32.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.733 68.331 34.081 1.00 0.00 H new ATOM 230 N SER A 14 64.030 64.310 36.790 1.00 0.00 N ATOM 231 CA SER A 14 64.090 63.190 37.720 1.00 0.00 C ATOM 232 C SER A 14 64.270 63.490 39.200 1.00 0.00 C ATOM 233 O SER A 14 63.460 63.140 40.050 1.00 0.00 O ATOM 234 CB SER A 14 65.140 62.240 37.210 1.00 0.00 C ATOM 235 OG SER A 14 66.390 62.860 37.220 1.00 0.00 O ATOM 0 H SER A 14 64.905 64.771 36.539 1.00 0.00 H new ATOM 0 HA SER A 14 63.089 62.758 37.725 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.164 61.344 37.831 1.00 0.00 H new ATOM 0 HB3 SER A 14 64.892 61.920 36.198 1.00 0.00 H new ATOM 0 HG SER A 14 67.068 62.235 36.888 1.00 0.00 H new ATOM 241 N ASP A 15 65.280 64.290 39.470 1.00 0.00 N ATOM 242 CA ASP A 15 65.510 65.080 40.680 1.00 0.00 C ATOM 243 C ASP A 15 66.240 66.420 40.420 1.00 0.00 C ATOM 244 O ASP A 15 66.660 67.060 41.370 1.00 0.00 O ATOM 245 CB ASP A 15 66.310 64.260 41.680 1.00 0.00 C ATOM 246 CG ASP A 15 67.620 63.830 41.120 1.00 0.00 C ATOM 247 OD1 ASP A 15 67.800 63.980 39.870 1.00 0.00 O ATOM 248 OD2 ASP A 15 68.430 63.260 41.790 1.00 0.00 O ATOM 0 H ASP A 15 66.032 64.422 38.794 1.00 0.00 H new ATOM 0 HA ASP A 15 64.525 65.330 41.075 1.00 0.00 H new ATOM 0 HB2 ASP A 15 66.476 64.848 42.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 65.734 63.382 41.973 1.00 0.00 H new ATOM 253 N ALA A 16 66.360 66.910 39.180 1.00 0.00 N ATOM 254 CA ALA A 16 67.540 67.750 38.850 1.00 0.00 C ATOM 255 C ALA A 16 67.470 68.960 39.730 1.00 0.00 C ATOM 256 O ALA A 16 68.480 69.410 40.220 1.00 0.00 O ATOM 257 CB ALA A 16 67.590 68.270 37.450 1.00 0.00 C ATOM 0 H ALA A 16 65.699 66.757 38.418 1.00 0.00 H new ATOM 0 HA ALA A 16 68.413 67.112 38.988 1.00 0.00 H new ATOM 0 HB1 ALA A 16 68.490 68.870 37.317 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.604 67.433 36.751 1.00 0.00 H new ATOM 0 HB3 ALA A 16 66.712 68.887 37.259 1.00 0.00 H new ATOM 263 N LYS A 17 66.290 69.550 39.960 1.00 0.00 N ATOM 264 CA LYS A 17 66.130 70.960 40.320 1.00 0.00 C ATOM 265 C LYS A 17 66.830 71.400 41.630 1.00 0.00 C ATOM 266 O LYS A 17 66.880 70.630 42.580 1.00 0.00 O ATOM 267 CB LYS A 17 64.640 71.290 40.340 1.00 0.00 C ATOM 268 CG LYS A 17 63.910 70.510 41.430 1.00 0.00 C ATOM 269 CD LYS A 17 62.450 70.860 41.440 1.00 0.00 C ATOM 270 CE LYS A 17 61.770 70.060 42.520 1.00 0.00 C ATOM 271 NZ LYS A 17 60.340 70.430 42.500 1.00 0.00 N ATOM 0 H LYS A 17 65.404 69.048 39.899 1.00 0.00 H new ATOM 0 HA LYS A 17 66.648 71.538 39.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.505 72.359 40.504 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.202 71.058 39.369 1.00 0.00 H new ATOM 0 HG2 LYS A 17 64.032 69.440 41.263 1.00 0.00 H new ATOM 0 HG3 LYS A 17 64.350 70.733 42.402 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.318 71.927 41.620 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.003 70.643 40.470 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.894 68.992 42.344 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.210 70.275 43.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.833 69.897 43.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.243 71.449 42.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 59.936 70.205 41.568 1.00 0.00 H new ATOM 285 N SER A 18 67.230 72.670 41.680 1.00 0.00 N ATOM 286 CA SER A 18 67.900 73.420 42.790 1.00 0.00 C ATOM 287 C SER A 18 69.340 72.950 43.130 1.00 0.00 C ATOM 288 O SER A 18 69.950 73.380 44.100 1.00 0.00 O ATOM 289 CB SER A 18 67.010 73.430 44.020 1.00 0.00 C ATOM 290 OG SER A 18 65.800 74.050 43.820 1.00 0.00 O ATOM 0 H SER A 18 67.088 73.277 40.873 1.00 0.00 H new ATOM 0 HA SER A 18 68.035 74.437 42.422 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.834 72.403 44.339 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.535 73.931 44.834 1.00 0.00 H new ATOM 0 HG SER A 18 65.276 74.020 44.648 1.00 0.00 H new ATOM 296 N VAL A 19 69.800 72.000 42.310 1.00 0.00 N ATOM 297 CA VAL A 19 71.100 71.350 42.340 1.00 0.00 C ATOM 298 C VAL A 19 72.220 72.310 42.100 1.00 0.00 C ATOM 299 O VAL A 19 73.210 72.210 42.790 1.00 0.00 O ATOM 300 CB VAL A 19 71.170 70.260 41.270 1.00 0.00 C ATOM 301 CG1 VAL A 19 71.080 70.830 39.860 1.00 0.00 C ATOM 302 CG2 VAL A 19 72.440 69.490 41.390 1.00 0.00 C ATOM 0 H VAL A 19 69.221 71.642 41.550 1.00 0.00 H new ATOM 0 HA VAL A 19 71.212 70.924 43.337 1.00 0.00 H new ATOM 0 HB VAL A 19 70.314 69.607 41.436 1.00 0.00 H new ATOM 0 HG11 VAL A 19 71.134 70.018 39.135 1.00 0.00 H new ATOM 0 HG12 VAL A 19 70.135 71.360 39.741 1.00 0.00 H new ATOM 0 HG13 VAL A 19 71.907 71.521 39.693 1.00 0.00 H new ATOM 0 HG21 VAL A 19 72.472 68.719 40.620 1.00 0.00 H new ATOM 0 HG22 VAL A 19 73.287 70.164 41.264 1.00 0.00 H new ATOM 0 HG23 VAL A 19 72.491 69.023 42.374 1.00 0.00 H new ATOM 312 N GLU A 20 72.010 73.300 41.210 1.00 0.00 N ATOM 313 CA GLU A 20 73.070 74.220 41.010 1.00 0.00 C ATOM 314 C GLU A 20 73.350 74.960 42.270 1.00 0.00 C ATOM 315 O GLU A 20 74.490 75.130 42.640 1.00 0.00 O ATOM 316 CB GLU A 20 72.730 75.160 39.900 1.00 0.00 C ATOM 317 CG GLU A 20 73.830 76.180 39.720 1.00 0.00 C ATOM 318 CD GLU A 20 75.130 75.570 39.280 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.100 74.410 38.880 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.140 76.250 39.360 1.00 0.00 O ATOM 0 H GLU A 20 71.162 73.453 40.665 1.00 0.00 H new ATOM 0 HA GLU A 20 73.970 73.673 40.730 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.586 74.603 38.974 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.789 75.665 40.118 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.515 76.920 38.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.984 76.710 40.660 1.00 0.00 H new ATOM 327 N LEU A 21 72.320 75.440 43.000 1.00 0.00 N ATOM 328 CA LEU A 21 72.640 76.290 44.100 1.00 0.00 C ATOM 329 C LEU A 21 73.460 75.580 45.160 1.00 0.00 C ATOM 330 O LEU A 21 74.400 76.140 45.700 1.00 0.00 O ATOM 331 CB LEU A 21 71.360 76.850 44.700 1.00 0.00 C ATOM 332 CG LEU A 21 70.600 77.690 43.740 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.330 78.250 44.290 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.420 78.840 43.400 1.00 0.00 C ATOM 0 H LEU A 21 71.330 75.253 42.841 1.00 0.00 H new ATOM 0 HA LEU A 21 73.256 77.106 43.722 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.729 76.026 45.035 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.605 77.443 45.581 1.00 0.00 H new ATOM 0 HG LEU A 21 70.357 77.042 42.898 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.836 78.851 43.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.673 77.434 44.591 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.552 78.875 45.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.883 79.474 42.695 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.642 79.409 44.303 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.352 78.501 42.947 1.00 0.00 H new ATOM 346 N GLU A 22 73.030 74.370 45.490 1.00 0.00 N ATOM 347 CA GLU A 22 73.740 73.580 46.480 1.00 0.00 C ATOM 348 C GLU A 22 75.110 73.200 46.010 1.00 0.00 C ATOM 349 O GLU A 22 76.030 73.270 46.820 1.00 0.00 O ATOM 350 CB GLU A 22 72.950 72.330 46.790 1.00 0.00 C ATOM 351 CG GLU A 22 71.640 72.660 47.480 1.00 0.00 C ATOM 352 CD GLU A 22 70.920 71.360 47.800 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.370 70.270 47.470 1.00 0.00 O ATOM 354 OE2 GLU A 22 69.780 71.400 48.290 1.00 0.00 O ATOM 0 H GLU A 22 72.205 73.921 45.092 1.00 0.00 H new ATOM 0 HA GLU A 22 73.850 74.189 47.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.750 71.786 45.867 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.542 71.672 47.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 71.825 73.225 48.394 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.021 73.287 46.838 1.00 0.00 H new ATOM 361 N ASP A 23 75.230 72.900 44.700 1.00 0.00 N ATOM 362 CA ASP A 23 76.540 72.560 44.180 1.00 0.00 C ATOM 363 C ASP A 23 77.440 73.730 44.270 1.00 0.00 C ATOM 364 O ASP A 23 78.570 73.560 44.660 1.00 0.00 O ATOM 365 CB ASP A 23 76.480 72.080 42.720 1.00 0.00 C ATOM 366 CG ASP A 23 75.870 70.780 42.690 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.840 70.200 43.820 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.420 70.310 41.680 1.00 0.00 O ATOM 0 H ASP A 23 74.467 72.889 44.023 1.00 0.00 H new ATOM 0 HA ASP A 23 76.923 71.741 44.788 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.906 72.781 42.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.482 72.037 42.294 1.00 0.00 H new ATOM 373 N LEU A 24 76.940 74.920 44.060 1.00 0.00 N ATOM 374 CA LEU A 24 77.800 76.090 44.070 1.00 0.00 C ATOM 375 C LEU A 24 78.530 76.200 45.390 1.00 0.00 C ATOM 376 O LEU A 24 79.760 76.260 45.430 1.00 0.00 O ATOM 377 CB LEU A 24 76.940 77.310 43.820 1.00 0.00 C ATOM 378 CG LEU A 24 76.510 77.500 42.380 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.490 78.630 42.280 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.680 77.790 41.480 1.00 0.00 C ATOM 0 H LEU A 24 75.954 75.111 43.881 1.00 0.00 H new ATOM 0 HA LEU A 24 78.556 76.008 43.289 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.049 77.243 44.445 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.489 78.196 44.141 1.00 0.00 H new ATOM 0 HG LEU A 24 76.056 76.566 42.049 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.189 78.757 41.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.616 78.386 42.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.936 79.556 42.644 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.328 77.920 40.456 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.177 78.702 41.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.384 76.959 41.519 1.00 0.00 H new ATOM 392 N TYR A 25 77.780 76.240 46.480 1.00 0.00 N ATOM 393 CA TYR A 25 78.310 76.390 47.820 1.00 0.00 C ATOM 394 C TYR A 25 79.150 75.150 48.080 1.00 0.00 C ATOM 395 O TYR A 25 80.270 75.280 48.550 1.00 0.00 O ATOM 396 CB TYR A 25 77.210 76.540 48.850 1.00 0.00 C ATOM 397 CG TYR A 25 77.830 76.790 50.220 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.160 75.720 51.060 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.070 78.080 50.690 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.610 75.910 52.310 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.560 78.310 51.960 1.00 0.00 C ATOM 402 CZ TYR A 25 78.760 77.170 52.740 1.00 0.00 C ATOM 403 OH TYR A 25 79.290 77.010 53.950 1.00 0.00 O ATOM 0 H TYR A 25 76.763 76.167 46.454 1.00 0.00 H new ATOM 0 HA TYR A 25 78.907 77.298 47.902 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.554 77.367 48.579 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.595 75.640 48.875 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.049 74.711 50.691 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.867 78.921 50.044 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.844 75.072 52.950 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.774 79.304 52.325 1.00 0.00 H new ATOM 0 HH TYR A 25 79.443 77.887 54.359 1.00 0.00 H new ATOM 413 N HIS A 26 78.620 73.950 47.740 1.00 0.00 N ATOM 414 CA HIS A 26 79.270 72.760 48.260 1.00 0.00 C ATOM 415 C HIS A 26 80.540 72.450 47.500 1.00 0.00 C ATOM 416 O HIS A 26 81.530 72.070 48.100 1.00 0.00 O ATOM 417 CB HIS A 26 78.330 71.550 48.180 1.00 0.00 C ATOM 418 CG HIS A 26 78.990 70.270 48.620 1.00 0.00 C ATOM 419 ND1 HIS A 26 79.240 69.970 49.960 1.00 0.00 N ATOM 420 CD2 HIS A 26 79.430 69.250 47.840 1.00 0.00 C ATOM 421 CE1 HIS A 26 79.840 68.770 49.950 1.00 0.00 C ATOM 422 NE2 HIS A 26 79.930 68.300 48.700 1.00 0.00 N ATOM 0 H HIS A 26 77.802 73.799 47.149 1.00 0.00 H new ATOM 0 HA HIS A 26 79.522 72.959 49.302 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.454 71.734 48.802 1.00 0.00 H new ATOM 0 HB3 HIS A 26 77.976 71.438 47.155 1.00 0.00 H new ATOM 0 HD2 HIS A 26 79.395 69.195 46.762 1.00 0.00 H new ATOM 0 HE1 HIS A 26 80.200 68.255 50.828 1.00 0.00 H new ATOM 0 HE2 HIS A 26 80.306 67.391 48.431 1.00 0.00 H new ATOM 430 N GLU A 27 80.490 72.600 46.180 1.00 0.00 N ATOM 431 CA GLU A 27 81.610 72.380 45.300 1.00 0.00 C ATOM 432 C GLU A 27 82.740 73.210 45.670 1.00 0.00 C ATOM 433 O GLU A 27 83.830 72.710 45.780 1.00 0.00 O ATOM 434 CB GLU A 27 81.360 72.430 43.830 1.00 0.00 C ATOM 435 CG GLU A 27 80.380 71.360 43.370 1.00 0.00 C ATOM 436 CD GLU A 27 80.060 71.510 41.900 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.240 72.600 41.340 1.00 0.00 O ATOM 438 OE2 GLU A 27 79.750 70.470 41.320 1.00 0.00 O ATOM 0 H GLU A 27 79.642 72.886 45.690 1.00 0.00 H new ATOM 0 HA GLU A 27 81.840 71.327 45.466 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.971 73.413 43.564 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.304 72.306 43.299 1.00 0.00 H new ATOM 0 HG2 GLU A 27 80.802 70.372 43.554 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.462 71.428 43.954 1.00 0.00 H new ATOM 445 N PHE A 28 82.420 74.490 45.900 1.00 0.00 N ATOM 446 CA PHE A 28 83.350 75.490 46.270 1.00 0.00 C ATOM 447 C PHE A 28 84.100 75.090 47.530 1.00 0.00 C ATOM 448 O PHE A 28 85.310 75.220 47.610 1.00 0.00 O ATOM 449 CB PHE A 28 82.600 76.810 46.460 1.00 0.00 C ATOM 450 CG PHE A 28 83.500 77.920 46.940 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.070 77.880 48.220 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.780 79.010 46.100 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.940 78.880 48.660 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.640 80.030 46.550 1.00 0.00 C ATOM 455 CZ PHE A 28 85.220 79.960 47.820 1.00 0.00 C ATOM 0 H PHE A 28 81.465 74.840 45.823 1.00 0.00 H new ATOM 0 HA PHE A 28 84.094 75.612 45.483 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.140 77.102 45.516 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.792 76.665 47.177 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.831 77.059 48.880 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.339 79.066 45.116 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.391 78.819 49.639 1.00 0.00 H new ATOM 0 HE2 PHE A 28 84.853 80.873 45.909 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.886 80.743 48.152 1.00 0.00 H new ATOM 465 N SER A 29 83.310 74.740 48.570 1.00 0.00 N ATOM 466 CA SER A 29 83.820 74.390 49.890 1.00 0.00 C ATOM 467 C SER A 29 84.650 73.140 49.890 1.00 0.00 C ATOM 468 O SER A 29 85.700 73.120 50.530 1.00 0.00 O ATOM 469 CB SER A 29 82.670 74.220 50.860 1.00 0.00 C ATOM 470 OG SER A 29 81.820 73.190 50.490 1.00 0.00 O ATOM 0 H SER A 29 82.293 74.696 48.503 1.00 0.00 H new ATOM 0 HA SER A 29 84.467 75.211 50.198 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.064 74.023 51.857 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.106 75.151 50.919 1.00 0.00 H new ATOM 0 HG SER A 29 81.832 73.090 49.515 1.00 0.00 H new ATOM 476 N GLU A 30 84.120 72.070 49.240 1.00 0.00 N ATOM 477 CA GLU A 30 84.780 70.780 49.250 1.00 0.00 C ATOM 478 C GLU A 30 85.960 70.890 48.290 1.00 0.00 C ATOM 479 O GLU A 30 87.070 70.530 48.620 1.00 0.00 O ATOM 480 CB GLU A 30 83.890 69.620 48.900 1.00 0.00 C ATOM 481 CG GLU A 30 84.550 68.270 48.810 1.00 0.00 C ATOM 482 CD GLU A 30 83.620 67.180 48.300 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.430 67.360 47.990 1.00 0.00 O ATOM 484 OE2 GLU A 30 84.060 66.020 48.290 1.00 0.00 O ATOM 0 H GLU A 30 83.246 72.095 48.714 1.00 0.00 H new ATOM 0 HA GLU A 30 85.101 70.557 50.268 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.096 69.563 49.644 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.414 69.832 47.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.415 68.339 48.150 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.923 67.989 49.795 1.00 0.00 H new ATOM 491 N ASP A 31 85.720 71.430 47.090 1.00 0.00 N ATOM 492 CA ASP A 31 86.580 71.190 45.960 1.00 0.00 C ATOM 493 C ASP A 31 86.960 72.430 45.160 1.00 0.00 C ATOM 494 O ASP A 31 86.210 73.380 45.140 1.00 0.00 O ATOM 495 CB ASP A 31 86.030 70.070 45.120 1.00 0.00 C ATOM 496 CG ASP A 31 86.950 69.610 44.110 1.00 0.00 C ATOM 497 OD1 ASP A 31 88.170 69.800 44.100 1.00 0.00 O ATOM 498 OD2 ASP A 31 86.290 68.960 43.220 1.00 0.00 O ATOM 0 H ASP A 31 84.926 72.039 46.891 1.00 0.00 H new ATOM 0 HA ASP A 31 87.542 70.872 46.363 1.00 0.00 H new ATOM 0 HB2 ASP A 31 85.766 69.235 45.769 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.110 70.404 44.639 1.00 0.00 H new ATOM 503 N LYS A 32 88.080 72.470 44.440 1.00 0.00 N ATOM 504 CA LYS A 32 88.170 73.560 43.420 1.00 0.00 C ATOM 505 C LYS A 32 87.930 73.070 42.010 1.00 0.00 C ATOM 506 O LYS A 32 88.490 72.030 41.720 1.00 0.00 O ATOM 507 CB LYS A 32 89.490 74.210 43.680 1.00 0.00 C ATOM 508 CG LYS A 32 89.510 74.920 45.000 1.00 0.00 C ATOM 509 CD LYS A 32 90.820 75.670 45.200 1.00 0.00 C ATOM 510 CE LYS A 32 90.860 76.380 46.530 1.00 0.00 C ATOM 511 NZ LYS A 32 92.140 77.100 46.700 1.00 0.00 N ATOM 0 H LYS A 32 88.876 71.837 44.514 1.00 0.00 H new ATOM 0 HA LYS A 32 87.375 74.300 43.512 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.277 73.456 43.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.709 74.920 42.882 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.675 75.619 45.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.373 74.199 45.806 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.653 74.970 45.136 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.950 76.395 44.397 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.030 77.083 46.598 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.733 75.658 47.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.147 77.582 47.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.928 76.422 46.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.246 77.803 45.941 1.00 0.00 H new ATOM 525 N ARG A 33 86.980 73.590 41.200 1.00 0.00 N ATOM 526 CA ARG A 33 86.200 72.710 40.300 1.00 0.00 C ATOM 527 C ARG A 33 85.360 73.400 39.200 1.00 0.00 C ATOM 528 O ARG A 33 85.430 74.600 39.010 1.00 0.00 O ATOM 529 CB ARG A 33 85.350 71.900 41.260 1.00 0.00 C ATOM 530 CG ARG A 33 84.610 70.760 40.570 1.00 0.00 C ATOM 531 CD ARG A 33 83.630 70.060 41.430 1.00 0.00 C ATOM 532 NE ARG A 33 82.800 69.120 40.670 1.00 0.00 N ATOM 533 CZ ARG A 33 81.860 68.380 41.230 1.00 0.00 C ATOM 534 NH1 ARG A 33 81.710 68.400 42.520 1.00 0.00 N ATOM 535 NH2 ARG A 33 81.200 67.510 40.510 1.00 0.00 N ATOM 0 H ARG A 33 86.740 74.580 41.150 1.00 0.00 H new ATOM 0 HA ARG A 33 86.874 72.118 39.681 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.985 71.492 42.046 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.627 72.558 41.743 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.092 71.155 39.696 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.340 70.036 40.207 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.158 69.522 42.217 1.00 0.00 H new ATOM 0 HD3 ARG A 33 82.990 70.793 41.920 1.00 0.00 H new ATOM 0 HE ARG A 33 82.955 69.034 39.666 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.316 68.985 43.095 1.00 0.00 H new ATOM 0 HH12 ARG A 33 80.986 67.831 42.958 1.00 0.00 H new ATOM 0 HH21 ARG A 33 81.412 67.404 39.518 1.00 0.00 H new ATOM 0 HH22 ARG A 33 80.474 66.938 40.941 1.00 0.00 H new ATOM 549 N SER A 34 84.680 72.670 38.290 1.00 0.00 N ATOM 550 CA SER A 34 84.090 73.290 37.120 1.00 0.00 C ATOM 551 C SER A 34 83.000 72.430 36.560 1.00 0.00 C ATOM 552 O SER A 34 83.110 71.190 36.590 1.00 0.00 O ATOM 553 CB SER A 34 85.210 73.420 36.130 1.00 0.00 C ATOM 554 OG SER A 34 85.680 72.180 35.720 1.00 0.00 O ATOM 0 H SER A 34 84.536 71.662 38.356 1.00 0.00 H new ATOM 0 HA SER A 34 83.642 74.254 37.359 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.865 73.983 35.263 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.026 73.989 36.576 1.00 0.00 H new ATOM 0 HG SER A 34 86.407 72.303 35.075 1.00 0.00 H new ATOM 560 N ILE A 35 81.970 73.090 36.000 1.00 0.00 N ATOM 561 CA ILE A 35 80.820 72.390 35.490 1.00 0.00 C ATOM 562 C ILE A 35 80.300 72.860 34.100 1.00 0.00 C ATOM 563 O ILE A 35 80.630 73.920 33.560 1.00 0.00 O ATOM 564 CB ILE A 35 79.700 72.430 36.530 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.260 73.850 36.830 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.210 71.840 37.840 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.000 73.910 37.680 1.00 0.00 C ATOM 0 H ILE A 35 81.928 74.104 35.898 1.00 0.00 H new ATOM 0 HA ILE A 35 81.156 71.368 35.312 1.00 0.00 H new ATOM 0 HB ILE A 35 78.861 71.865 36.123 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.065 74.374 37.345 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.085 74.377 35.892 1.00 0.00 H new ATOM 0 HG21 ILE A 35 79.415 71.866 38.585 1.00 0.00 H new ATOM 0 HG22 ILE A 35 80.521 70.808 37.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.059 72.423 38.195 1.00 0.00 H new ATOM 0 HD11 ILE A 35 77.733 74.951 37.862 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.184 73.413 37.156 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.179 73.409 38.632 1.00 0.00 H new ATOM 579 N PHE A 36 79.470 72.020 33.540 1.00 0.00 N ATOM 580 CA PHE A 36 78.540 72.320 32.450 1.00 0.00 C ATOM 581 C PHE A 36 77.110 72.390 32.970 1.00 0.00 C ATOM 582 O PHE A 36 76.670 71.520 33.730 1.00 0.00 O ATOM 583 CB PHE A 36 78.720 71.240 31.430 1.00 0.00 C ATOM 584 CG PHE A 36 79.960 71.280 30.620 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.060 72.020 29.440 1.00 0.00 C ATOM 586 CD2 PHE A 36 81.020 70.570 31.130 1.00 0.00 C ATOM 587 CE1 PHE A 36 81.300 72.090 28.790 1.00 0.00 C ATOM 588 CE2 PHE A 36 82.260 70.650 30.500 1.00 0.00 C ATOM 589 CZ PHE A 36 82.410 71.490 29.420 1.00 0.00 C ATOM 0 H PHE A 36 79.411 71.047 33.841 1.00 0.00 H new ATOM 0 HA PHE A 36 78.742 73.293 32.003 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.682 70.279 31.943 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.869 71.272 30.749 1.00 0.00 H new ATOM 0 HD1 PHE A 36 79.198 72.529 29.036 1.00 0.00 H new ATOM 0 HD2 PHE A 36 80.893 69.957 32.010 1.00 0.00 H new ATOM 0 HE1 PHE A 36 81.402 72.588 27.837 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.093 70.061 30.854 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.402 71.695 29.046 1.00 0.00 H new ATOM 599 N TYR A 37 76.320 73.330 32.520 1.00 0.00 N ATOM 600 CA TYR A 37 74.950 73.490 32.990 1.00 0.00 C ATOM 601 C TYR A 37 74.000 73.280 31.840 1.00 0.00 C ATOM 602 O TYR A 37 74.000 74.070 30.910 1.00 0.00 O ATOM 603 CB TYR A 37 74.790 74.840 33.650 1.00 0.00 C ATOM 604 CG TYR A 37 73.510 74.960 34.410 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.270 74.750 33.790 1.00 0.00 C ATOM 606 CD2 TYR A 37 73.540 75.270 35.770 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.080 74.830 34.520 1.00 0.00 C ATOM 608 CE2 TYR A 37 72.340 75.400 36.460 1.00 0.00 C ATOM 609 CZ TYR A 37 71.120 75.170 35.860 1.00 0.00 C ATOM 610 OH TYR A 37 69.950 75.220 36.520 1.00 0.00 O ATOM 0 H TYR A 37 76.600 74.012 31.816 1.00 0.00 H new ATOM 0 HA TYR A 37 74.713 72.741 33.745 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.627 75.011 34.327 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.831 75.619 32.889 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.234 74.523 32.735 1.00 0.00 H new ATOM 0 HD2 TYR A 37 74.482 75.407 36.280 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.134 74.627 34.040 1.00 0.00 H new ATOM 0 HE2 TYR A 37 72.364 75.691 37.500 1.00 0.00 H new ATOM 0 HH TYR A 37 70.112 75.469 37.454 1.00 0.00 H new ATOM 620 N PHE A 38 73.140 72.240 31.990 1.00 0.00 N ATOM 621 CA PHE A 38 72.640 71.360 30.940 1.00 0.00 C ATOM 622 C PHE A 38 71.140 71.650 30.850 1.00 0.00 C ATOM 623 O PHE A 38 70.330 71.130 31.610 1.00 0.00 O ATOM 624 CB PHE A 38 72.870 69.870 31.190 1.00 0.00 C ATOM 625 CG PHE A 38 72.330 68.970 30.090 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.960 68.880 29.780 1.00 0.00 C ATOM 627 CD2 PHE A 38 73.190 68.190 29.320 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.450 68.110 28.760 1.00 0.00 C ATOM 629 CE2 PHE A 38 72.700 67.390 28.280 1.00 0.00 C ATOM 630 CZ PHE A 38 71.330 67.350 28.000 1.00 0.00 C ATOM 0 H PHE A 38 72.765 71.992 32.905 1.00 0.00 H new ATOM 0 HA PHE A 38 73.184 71.564 30.018 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.940 69.691 31.300 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.402 69.594 32.135 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.266 69.451 30.380 1.00 0.00 H new ATOM 0 HD2 PHE A 38 74.250 68.202 29.528 1.00 0.00 H new ATOM 0 HE1 PHE A 38 69.390 68.097 28.555 1.00 0.00 H new ATOM 0 HE2 PHE A 38 73.385 66.800 27.690 1.00 0.00 H new ATOM 0 HZ PHE A 38 70.958 66.731 27.197 1.00 0.00 H new ATOM 640 N ALA A 39 70.840 72.660 30.060 1.00 0.00 N ATOM 641 CA ALA A 39 69.700 73.500 30.410 1.00 0.00 C ATOM 642 C ALA A 39 68.990 74.070 29.210 1.00 0.00 C ATOM 643 O ALA A 39 69.630 74.600 28.320 1.00 0.00 O ATOM 644 CB ALA A 39 70.130 74.620 31.310 1.00 0.00 C ATOM 0 H ALA A 39 71.339 72.917 29.208 1.00 0.00 H new ATOM 0 HA ALA A 39 68.994 72.850 30.926 1.00 0.00 H new ATOM 0 HB1 ALA A 39 69.267 75.237 31.561 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.560 74.208 32.223 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.876 75.230 30.801 1.00 0.00 H new ATOM 650 N PRO A 40 67.670 73.900 29.150 1.00 0.00 N ATOM 651 CA PRO A 40 67.080 73.160 28.080 1.00 0.00 C ATOM 652 C PRO A 40 67.310 73.830 26.740 1.00 0.00 C ATOM 653 O PRO A 40 67.100 75.030 26.610 1.00 0.00 O ATOM 654 CB PRO A 40 65.590 73.090 28.430 1.00 0.00 C ATOM 655 CG PRO A 40 65.300 74.360 29.200 1.00 0.00 C ATOM 656 CD PRO A 40 66.630 74.580 29.890 1.00 0.00 C ATOM 0 HA PRO A 40 67.522 72.169 27.979 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.977 73.027 27.531 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.368 72.207 29.030 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.032 75.189 28.545 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.481 74.236 29.909 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.849 75.646 29.951 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.589 74.203 30.912 1.00 0.00 H new ATOM 664 N THR A 41 67.540 73.000 25.700 1.00 0.00 N ATOM 665 CA THR A 41 67.550 73.440 24.300 1.00 0.00 C ATOM 666 C THR A 41 66.160 73.850 23.860 1.00 0.00 C ATOM 667 O THR A 41 65.960 74.840 23.180 1.00 0.00 O ATOM 668 CB THR A 41 68.030 72.320 23.380 1.00 0.00 C ATOM 669 OG1 THR A 41 69.340 72.010 23.720 1.00 0.00 O ATOM 670 CG2 THR A 41 67.960 72.720 21.910 1.00 0.00 C ATOM 0 H THR A 41 67.724 72.003 25.815 1.00 0.00 H new ATOM 0 HA THR A 41 68.230 74.289 24.232 1.00 0.00 H new ATOM 0 HB THR A 41 67.378 71.456 23.510 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.955 72.514 23.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.311 71.894 21.291 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.930 72.959 21.647 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.590 73.593 21.740 1.00 0.00 H new ATOM 678 N ASN A 42 65.220 73.050 24.310 1.00 0.00 N ATOM 679 CA ASN A 42 63.800 72.970 23.990 1.00 0.00 C ATOM 680 C ASN A 42 62.920 74.090 24.490 1.00 0.00 C ATOM 681 O ASN A 42 62.030 74.500 23.760 1.00 0.00 O ATOM 682 CB ASN A 42 63.330 71.640 24.570 1.00 0.00 C ATOM 683 CG ASN A 42 63.980 70.510 23.820 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.640 70.770 22.840 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.960 69.290 24.340 1.00 0.00 N ATOM 0 H ASN A 42 65.461 72.342 25.004 1.00 0.00 H new ATOM 0 HA ASN A 42 63.704 73.057 22.908 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.584 71.582 25.628 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.245 71.562 24.498 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.510 68.544 23.913 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.395 69.097 25.167 1.00 0.00 H new ATOM 692 N ALA A 43 63.150 74.580 25.720 1.00 0.00 N ATOM 693 CA ALA A 43 62.530 75.850 26.040 1.00 0.00 C ATOM 694 C ALA A 43 63.460 77.040 26.200 1.00 0.00 C ATOM 695 O ALA A 43 62.980 78.150 26.110 1.00 0.00 O ATOM 696 CB ALA A 43 61.670 75.630 27.260 1.00 0.00 C ATOM 0 H ALA A 43 63.717 74.148 26.450 1.00 0.00 H new ATOM 0 HA ALA A 43 61.941 76.149 25.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.183 76.566 27.535 1.00 0.00 H new ATOM 0 HB2 ALA A 43 60.912 74.878 27.040 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.292 75.288 28.087 1.00 0.00 H new ATOM 702 N HIS A 44 64.720 76.850 26.510 1.00 0.00 N ATOM 703 CA HIS A 44 65.710 77.930 26.710 1.00 0.00 C ATOM 704 C HIS A 44 65.370 78.750 27.940 1.00 0.00 C ATOM 705 O HIS A 44 65.890 79.820 28.170 1.00 0.00 O ATOM 706 CB HIS A 44 65.770 78.800 25.460 1.00 0.00 C ATOM 707 CG HIS A 44 66.360 78.180 24.240 1.00 0.00 C ATOM 708 ND1 HIS A 44 65.780 77.900 23.070 1.00 0.00 N flip ATOM 709 CD2 HIS A 44 67.620 77.650 24.170 1.00 0.00 C flip ATOM 710 CE1 HIS A 44 66.730 77.310 22.270 1.00 0.00 C flip ATOM 711 NE2 HIS A 44 67.810 77.180 22.960 1.00 0.00 N flip ATOM 0 H HIS A 44 65.116 75.919 26.638 1.00 0.00 H new ATOM 0 HA HIS A 44 66.694 77.491 26.876 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.757 79.123 25.221 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.343 79.697 25.697 1.00 0.00 H new ATOM 0 HD1 HIS A 44 64.810 78.089 22.816 1.00 0.00 H new ATOM 0 HD2 HIS A 44 68.338 77.623 24.976 1.00 0.00 H new ATOM 0 HE1 HIS A 44 66.594 77.008 21.242 1.00 0.00 H new ATOM 719 N LYS A 45 64.460 78.240 28.780 1.00 0.00 N ATOM 720 CA LYS A 45 63.900 78.870 29.950 1.00 0.00 C ATOM 721 C LYS A 45 64.760 78.660 31.160 1.00 0.00 C ATOM 722 O LYS A 45 65.030 79.620 31.860 1.00 0.00 O ATOM 723 CB LYS A 45 62.510 78.290 30.200 1.00 0.00 C ATOM 724 CG LYS A 45 61.900 78.910 31.450 1.00 0.00 C ATOM 725 CD LYS A 45 60.520 78.360 31.670 1.00 0.00 C ATOM 726 CE LYS A 45 59.850 78.910 32.920 1.00 0.00 C ATOM 727 NZ LYS A 45 58.520 78.320 33.130 1.00 0.00 N ATOM 0 H LYS A 45 64.077 77.306 28.635 1.00 0.00 H new ATOM 0 HA LYS A 45 63.842 79.944 29.771 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.868 78.481 29.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.575 77.208 30.316 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.528 78.698 32.315 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.857 79.994 31.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.901 78.590 30.803 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.576 77.274 31.743 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.478 78.709 33.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.758 79.993 32.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.095 78.719 33.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.913 78.533 32.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.610 77.289 33.235 1.00 0.00 H new ATOM 741 N ASP A 46 65.120 77.370 31.400 1.00 0.00 N ATOM 742 CA ASP A 46 65.970 77.080 32.540 1.00 0.00 C ATOM 743 C ASP A 46 67.320 77.730 32.310 1.00 0.00 C ATOM 744 O ASP A 46 67.890 78.330 33.200 1.00 0.00 O ATOM 745 CB ASP A 46 66.140 75.620 32.830 1.00 0.00 C ATOM 746 CG ASP A 46 64.900 74.870 33.140 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.960 75.640 33.530 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.820 73.660 33.100 1.00 0.00 O ATOM 0 H ASP A 46 64.841 76.565 30.839 1.00 0.00 H new ATOM 0 HA ASP A 46 65.475 77.489 33.420 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.618 75.152 31.969 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.825 75.514 33.672 1.00 0.00 H new ATOM 753 N MET A 47 67.810 77.780 31.100 1.00 0.00 N ATOM 754 CA MET A 47 69.110 78.440 30.900 1.00 0.00 C ATOM 755 C MET A 47 69.140 79.960 31.170 1.00 0.00 C ATOM 756 O MET A 47 70.090 80.470 31.750 1.00 0.00 O ATOM 757 CB MET A 47 69.520 78.140 29.490 1.00 0.00 C ATOM 758 CG MET A 47 70.840 78.830 29.160 1.00 0.00 C ATOM 759 SD MET A 47 71.410 78.370 27.520 1.00 0.00 S ATOM 760 CE MET A 47 72.030 76.720 27.870 1.00 0.00 C ATOM 0 H MET A 47 67.369 77.398 30.263 1.00 0.00 H new ATOM 0 HA MET A 47 69.805 78.045 31.641 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.622 77.063 29.356 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.745 78.475 28.800 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.714 79.911 29.216 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.592 78.558 29.901 1.00 0.00 H new ATOM 0 HE1 MET A 47 73.052 76.629 27.501 1.00 0.00 H new ATOM 0 HE2 MET A 47 72.016 76.547 28.946 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.399 75.982 27.375 1.00 0.00 H new ATOM 770 N LEU A 48 68.090 80.670 30.720 1.00 0.00 N ATOM 771 CA LEU A 48 68.000 82.130 30.930 1.00 0.00 C ATOM 772 C LEU A 48 68.000 82.390 32.440 1.00 0.00 C ATOM 773 O LEU A 48 68.640 83.290 32.960 1.00 0.00 O ATOM 774 CB LEU A 48 66.740 82.750 30.290 1.00 0.00 C ATOM 775 CG LEU A 48 66.750 82.760 28.770 1.00 0.00 C ATOM 776 CD1 LEU A 48 65.450 83.320 28.210 1.00 0.00 C ATOM 777 CD2 LEU A 48 67.900 83.580 28.280 1.00 0.00 C ATOM 0 H LEU A 48 67.301 80.266 30.215 1.00 0.00 H new ATOM 0 HA LEU A 48 68.855 82.601 30.445 1.00 0.00 H new ATOM 0 HB2 LEU A 48 65.864 82.199 30.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.632 83.774 30.648 1.00 0.00 H new ATOM 0 HG LEU A 48 66.853 81.731 28.426 1.00 0.00 H new ATOM 0 HD11 LEU A 48 65.490 83.313 27.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 64.615 82.706 28.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 65.313 84.343 28.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 67.905 83.585 27.190 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.801 84.601 28.648 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.834 83.152 28.645 1.00 0.00 H new ATOM 789 N LYS A 49 67.300 81.530 33.170 1.00 0.00 N ATOM 790 CA LYS A 49 67.270 81.620 34.640 1.00 0.00 C ATOM 791 C LYS A 49 68.650 81.420 35.230 1.00 0.00 C ATOM 792 O LYS A 49 69.010 82.120 36.160 1.00 0.00 O ATOM 793 CB LYS A 49 66.260 80.670 35.190 1.00 0.00 C ATOM 794 CG LYS A 49 64.840 80.970 34.840 1.00 0.00 C ATOM 795 CD LYS A 49 63.880 79.940 35.430 1.00 0.00 C ATOM 796 CE LYS A 49 62.430 80.290 35.080 1.00 0.00 C ATOM 797 NZ LYS A 49 61.500 79.320 35.720 1.00 0.00 N ATOM 0 H LYS A 49 66.748 80.766 32.781 1.00 0.00 H new ATOM 0 HA LYS A 49 66.962 82.625 34.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.499 79.667 34.836 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.353 80.656 36.276 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.578 81.963 35.206 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.730 80.990 33.756 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.123 78.948 35.048 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.999 79.902 36.513 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.201 81.301 35.416 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.295 80.275 33.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.518 79.615 35.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.654 78.374 35.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.678 79.293 36.744 1.00 0.00 H new ATOM 811 N ALA A 50 69.440 80.490 34.710 1.00 0.00 N ATOM 812 CA ALA A 50 70.760 80.170 35.200 1.00 0.00 C ATOM 813 C ALA A 50 71.730 81.350 35.190 1.00 0.00 C ATOM 814 O ALA A 50 72.460 81.550 36.160 1.00 0.00 O ATOM 815 CB ALA A 50 71.300 79.040 34.330 1.00 0.00 C ATOM 0 H ALA A 50 69.164 79.923 33.909 1.00 0.00 H new ATOM 0 HA ALA A 50 70.674 79.881 36.247 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.300 78.767 34.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.642 78.175 34.407 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.345 79.370 33.292 1.00 0.00 H new ATOM 821 N VAL A 51 71.700 82.140 34.140 1.00 0.00 N ATOM 822 CA VAL A 51 72.500 83.370 34.070 1.00 0.00 C ATOM 823 C VAL A 51 72.110 84.260 35.270 1.00 0.00 C ATOM 824 O VAL A 51 72.970 84.810 35.940 1.00 0.00 O ATOM 825 CB VAL A 51 72.280 84.090 32.750 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.100 85.340 32.770 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.710 83.240 31.560 1.00 0.00 C ATOM 0 H VAL A 51 71.131 81.962 33.312 1.00 0.00 H new ATOM 0 HA VAL A 51 73.562 83.130 34.119 1.00 0.00 H new ATOM 0 HB VAL A 51 71.217 84.303 32.640 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.963 85.880 31.833 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.783 85.970 33.602 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.152 85.083 32.890 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.536 83.792 30.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.770 83.003 31.646 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.132 82.316 31.545 1.00 0.00 H new ATOM 837 N ASP A 52 70.800 84.360 35.560 1.00 0.00 N ATOM 838 CA ASP A 52 70.370 85.180 36.720 1.00 0.00 C ATOM 839 C ASP A 52 70.830 84.650 38.080 1.00 0.00 C ATOM 840 O ASP A 52 71.310 85.400 38.910 1.00 0.00 O ATOM 841 CB ASP A 52 68.870 85.350 36.670 1.00 0.00 C ATOM 842 CG ASP A 52 68.430 86.250 35.560 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.340 86.960 34.990 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.260 86.290 35.230 1.00 0.00 O ATOM 0 H ASP A 52 70.048 83.909 35.039 1.00 0.00 H new ATOM 0 HA ASP A 52 70.865 86.147 36.629 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.401 84.373 36.548 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.522 85.755 37.620 1.00 0.00 H new ATOM 849 N PHE A 53 70.720 83.330 38.270 1.00 0.00 N ATOM 850 CA PHE A 53 71.110 82.700 39.520 1.00 0.00 C ATOM 851 C PHE A 53 72.560 82.940 39.810 1.00 0.00 C ATOM 852 O PHE A 53 72.900 83.100 40.980 1.00 0.00 O ATOM 853 CB PHE A 53 70.600 81.240 39.490 1.00 0.00 C ATOM 854 CG PHE A 53 69.210 80.870 39.850 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.740 80.880 41.160 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.310 80.830 38.800 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.350 80.830 41.380 1.00 0.00 C ATOM 858 CE2 PHE A 53 66.940 80.700 39.020 1.00 0.00 C ATOM 859 CZ PHE A 53 66.460 80.690 40.320 1.00 0.00 C ATOM 0 H PHE A 53 70.362 82.683 37.567 1.00 0.00 H new ATOM 0 HA PHE A 53 70.638 83.147 40.395 1.00 0.00 H new ATOM 0 HB2 PHE A 53 70.767 80.873 38.477 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.254 80.668 40.148 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.428 80.925 41.991 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.677 80.901 37.787 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.969 80.901 42.388 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.260 80.608 38.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.403 80.574 40.509 1.00 0.00 H new ATOM 869 N PHE A 54 73.390 82.890 38.740 1.00 0.00 N ATOM 870 CA PHE A 54 74.820 82.690 38.980 1.00 0.00 C ATOM 871 C PHE A 54 75.340 83.940 39.610 1.00 0.00 C ATOM 872 O PHE A 54 76.220 83.930 40.450 1.00 0.00 O ATOM 873 CB PHE A 54 75.510 82.380 37.670 1.00 0.00 C ATOM 874 CG PHE A 54 75.320 80.980 37.160 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.150 79.920 38.010 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.340 80.660 35.840 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.850 78.670 37.530 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.130 79.410 35.310 1.00 0.00 C ATOM 879 CZ PHE A 54 74.870 78.380 36.190 1.00 0.00 C ATOM 0 H PHE A 54 73.108 82.980 37.764 1.00 0.00 H new ATOM 0 HA PHE A 54 75.009 81.848 39.646 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.148 83.077 36.914 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.578 82.564 37.788 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.254 80.070 39.074 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.539 81.461 35.144 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.590 77.890 38.230 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.167 79.240 34.244 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.688 77.377 35.835 1.00 0.00 H new ATOM 889 N LYS A 55 74.740 85.030 39.210 1.00 0.00 N ATOM 890 CA LYS A 55 74.860 86.340 39.740 1.00 0.00 C ATOM 891 C LYS A 55 74.170 86.600 41.030 1.00 0.00 C ATOM 892 O LYS A 55 74.730 87.440 41.690 1.00 0.00 O ATOM 893 CB LYS A 55 74.230 87.240 38.750 1.00 0.00 C ATOM 894 CG LYS A 55 74.930 87.310 37.400 1.00 0.00 C ATOM 895 CD LYS A 55 74.210 88.170 36.350 1.00 0.00 C ATOM 896 CE LYS A 55 74.960 88.210 35.050 1.00 0.00 C ATOM 897 NZ LYS A 55 74.250 89.060 34.100 1.00 0.00 N ATOM 0 H LYS A 55 74.091 85.006 38.423 1.00 0.00 H new ATOM 0 HA LYS A 55 75.922 86.493 39.931 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.201 86.916 38.592 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.187 88.244 39.171 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.935 87.705 37.547 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.039 86.298 37.009 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.209 87.773 36.180 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.090 89.184 36.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.968 88.592 35.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.062 87.203 34.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.771 89.086 33.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.297 88.677 33.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.175 90.023 34.485 1.00 0.00 H new ATOM 911 N GLU A 56 72.970 86.040 41.350 1.00 0.00 N ATOM 912 CA GLU A 56 72.340 86.140 42.680 1.00 0.00 C ATOM 913 C GLU A 56 73.250 85.520 43.730 1.00 0.00 C ATOM 914 O GLU A 56 73.330 85.970 44.870 1.00 0.00 O ATOM 915 CB GLU A 56 71.000 85.390 42.720 1.00 0.00 C ATOM 916 CG GLU A 56 69.940 86.050 41.870 1.00 0.00 C ATOM 917 CD GLU A 56 68.580 85.310 41.950 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.510 84.320 42.730 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.570 85.690 41.300 1.00 0.00 O ATOM 0 H GLU A 56 72.416 85.505 40.681 1.00 0.00 H new ATOM 0 HA GLU A 56 72.172 87.198 42.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.150 84.366 42.377 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.650 85.333 43.751 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.809 87.083 42.193 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.275 86.080 40.833 1.00 0.00 H new ATOM 926 N LYS A 57 73.960 84.460 43.360 1.00 0.00 N ATOM 927 CA LYS A 57 74.880 83.690 44.210 1.00 0.00 C ATOM 928 C LYS A 57 76.300 84.080 44.020 1.00 0.00 C ATOM 929 O LYS A 57 76.550 84.370 42.900 1.00 0.00 O ATOM 930 CB LYS A 57 74.720 82.230 43.830 1.00 0.00 C ATOM 931 CG LYS A 57 73.380 81.720 44.340 1.00 0.00 C ATOM 932 CD LYS A 57 73.340 81.670 45.860 1.00 0.00 C ATOM 933 CE LYS A 57 72.000 81.150 46.360 1.00 0.00 C ATOM 934 NZ LYS A 57 71.980 81.160 47.840 1.00 0.00 N ATOM 0 H LYS A 57 73.911 84.090 42.411 1.00 0.00 H new ATOM 0 HA LYS A 57 74.634 83.882 45.254 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.777 82.116 42.747 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.532 81.641 44.256 1.00 0.00 H new ATOM 0 HG2 LYS A 57 72.582 82.367 43.976 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.192 80.724 43.938 1.00 0.00 H new ATOM 0 HD2 LYS A 57 74.141 81.028 46.226 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.520 82.666 46.264 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.191 81.769 45.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.832 80.138 45.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 71.063 80.804 48.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.742 80.551 48.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 72.121 82.132 48.183 1.00 0.00 H new ATOM 948 N GLY A 58 77.180 84.020 45.020 1.00 0.00 N ATOM 949 CA GLY A 58 78.610 84.370 45.010 1.00 0.00 C ATOM 950 C GLY A 58 79.620 83.260 44.730 1.00 0.00 C ATOM 951 O GLY A 58 80.790 83.540 44.810 1.00 0.00 O ATOM 0 H GLY A 58 76.889 83.697 45.943 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.757 85.151 44.264 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.853 84.806 45.979 1.00 0.00 H new ATOM 955 N HIS A 59 79.230 82.030 44.410 1.00 0.00 N ATOM 956 CA HIS A 59 80.080 80.840 44.660 1.00 0.00 C ATOM 957 C HIS A 59 80.900 80.320 43.470 1.00 0.00 C ATOM 958 O HIS A 59 81.420 79.210 43.510 1.00 0.00 O ATOM 959 CB HIS A 59 79.200 79.730 45.180 1.00 0.00 C ATOM 960 CG HIS A 59 78.550 80.010 46.480 1.00 0.00 C ATOM 961 ND1 HIS A 59 77.250 80.280 46.770 1.00 0.00 N flip ATOM 962 CD2 HIS A 59 79.260 80.060 47.650 1.00 0.00 C flip ATOM 963 CE1 HIS A 59 77.230 80.540 48.120 1.00 0.00 C flip ATOM 964 NE2 HIS A 59 78.440 80.340 48.620 1.00 0.00 N flip ATOM 0 H HIS A 59 78.332 81.817 43.976 1.00 0.00 H new ATOM 0 HA HIS A 59 80.829 81.168 45.381 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.427 79.522 44.441 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.800 78.825 45.277 1.00 0.00 H new ATOM 0 HD1 HIS A 59 76.460 80.288 46.125 1.00 0.00 H new ATOM 0 HD2 HIS A 59 80.323 79.895 47.750 1.00 0.00 H new ATOM 0 HE1 HIS A 59 76.365 80.857 48.683 1.00 0.00 H new ATOM 972 N THR A 60 81.040 81.110 42.420 1.00 0.00 N ATOM 973 CA THR A 60 81.330 80.680 41.050 1.00 0.00 C ATOM 974 C THR A 60 82.830 80.870 40.820 1.00 0.00 C ATOM 975 O THR A 60 83.670 80.680 41.680 1.00 0.00 O ATOM 976 CB THR A 60 80.460 81.440 40.050 1.00 0.00 C ATOM 977 OG1 THR A 60 80.810 82.750 40.410 1.00 0.00 O ATOM 978 CG2 THR A 60 78.960 81.330 40.280 1.00 0.00 C ATOM 0 H THR A 60 80.951 82.123 42.497 1.00 0.00 H new ATOM 0 HA THR A 60 81.085 79.629 40.900 1.00 0.00 H new ATOM 0 HB THR A 60 80.620 81.090 39.030 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.324 83.386 39.844 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.432 81.904 39.518 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.659 80.284 40.220 1.00 0.00 H new ATOM 0 HG23 THR A 60 78.713 81.723 41.266 1.00 0.00 H new ATOM 986 N ALA A 61 83.230 81.310 39.670 1.00 0.00 N ATOM 987 CA ALA A 61 84.170 82.370 39.440 1.00 0.00 C ATOM 988 C ALA A 61 83.490 83.070 38.270 1.00 0.00 C ATOM 989 O ALA A 61 83.100 84.210 38.360 1.00 0.00 O ATOM 990 CB ALA A 61 85.590 81.840 39.140 1.00 0.00 C ATOM 0 H ALA A 61 82.884 80.909 38.798 1.00 0.00 H new ATOM 0 HA ALA A 61 84.363 83.028 40.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.264 82.680 38.973 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.945 81.252 39.986 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.564 81.213 38.248 1.00 0.00 H new ATOM 996 N TYR A 62 83.380 82.320 37.180 1.00 0.00 N ATOM 997 CA TYR A 62 83.070 82.840 35.890 1.00 0.00 C ATOM 998 C TYR A 62 81.940 81.990 35.380 1.00 0.00 C ATOM 999 O TYR A 62 81.830 80.800 35.700 1.00 0.00 O ATOM 1000 CB TYR A 62 84.260 82.730 34.960 1.00 0.00 C ATOM 1001 CG TYR A 62 85.450 83.590 35.310 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.490 84.910 34.860 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.490 83.060 36.090 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.550 85.740 35.260 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.550 83.900 36.490 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.570 85.250 36.080 1.00 0.00 C ATOM 1007 OH TYR A 62 88.610 86.040 36.430 1.00 0.00 O ATOM 0 H TYR A 62 83.511 81.308 37.189 1.00 0.00 H new ATOM 0 HA TYR A 62 82.805 83.896 35.941 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.583 81.689 34.935 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.934 82.987 33.952 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.714 85.289 34.211 1.00 0.00 H new ATOM 0 HD2 TYR A 62 86.478 82.020 36.381 1.00 0.00 H new ATOM 0 HE1 TYR A 62 86.577 86.768 34.930 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.345 83.511 37.109 1.00 0.00 H new ATOM 0 HH TYR A 62 89.225 85.537 37.004 1.00 0.00 H new ATOM 1017 N LEU A 63 81.150 82.600 34.520 1.00 0.00 N ATOM 1018 CA LEU A 63 80.230 81.940 33.580 1.00 0.00 C ATOM 1019 C LEU A 63 80.470 82.300 32.120 1.00 0.00 C ATOM 1020 O LEU A 63 80.490 83.480 31.770 1.00 0.00 O ATOM 1021 CB LEU A 63 78.830 82.310 34.000 1.00 0.00 C ATOM 1022 CG LEU A 63 77.780 81.740 33.060 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.740 80.230 33.180 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.420 82.270 33.430 1.00 0.00 C ATOM 0 H LEU A 63 81.121 83.617 34.444 1.00 0.00 H new ATOM 0 HA LEU A 63 80.399 80.864 33.628 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.647 81.945 35.011 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.737 83.396 34.031 1.00 0.00 H new ATOM 0 HG LEU A 63 78.038 82.031 32.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.985 79.831 32.503 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.715 79.818 32.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.491 79.953 34.204 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.672 81.858 32.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.182 81.979 34.453 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.420 83.357 33.352 1.00 0.00 H new ATOM 1036 N ASP A 64 80.430 81.340 31.200 1.00 0.00 N ATOM 1037 CA ASP A 64 80.420 81.580 29.770 1.00 0.00 C ATOM 1038 C ASP A 64 79.510 80.560 29.040 1.00 0.00 C ATOM 1039 O ASP A 64 78.960 79.670 29.680 1.00 0.00 O ATOM 1040 CB ASP A 64 81.830 81.480 29.190 1.00 0.00 C ATOM 1041 CG ASP A 64 81.870 82.190 27.850 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.740 82.750 27.480 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.810 82.330 27.110 1.00 0.00 O ATOM 0 H ASP A 64 80.403 80.349 31.441 1.00 0.00 H new ATOM 0 HA ASP A 64 80.032 82.587 29.617 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.550 81.929 29.874 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.113 80.434 29.070 1.00 0.00 H new ATOM 1048 N GLU A 65 79.230 80.650 27.750 1.00 0.00 N ATOM 1049 CA GLU A 65 78.660 79.540 26.970 1.00 0.00 C ATOM 1050 C GLU A 65 79.630 78.460 26.570 1.00 0.00 C ATOM 1051 O GLU A 65 80.840 78.650 26.510 1.00 0.00 O ATOM 1052 CB GLU A 65 78.000 80.120 25.750 1.00 0.00 C ATOM 1053 CG GLU A 65 76.710 80.780 26.060 1.00 0.00 C ATOM 1054 CD GLU A 65 76.040 81.430 24.880 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.580 81.270 23.760 1.00 0.00 O ATOM 1056 OE2 GLU A 65 74.980 82.070 25.060 1.00 0.00 O ATOM 0 H GLU A 65 79.389 81.496 27.203 1.00 0.00 H new ATOM 0 HA GLU A 65 77.951 79.034 27.625 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.672 80.843 25.287 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.833 79.328 25.021 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.031 80.040 26.485 1.00 0.00 H new ATOM 0 HG3 GLU A 65 76.879 81.536 26.827 1.00 0.00 H new ATOM 1063 N VAL A 66 79.110 77.250 26.230 1.00 0.00 N ATOM 1064 CA VAL A 66 79.830 76.430 25.280 1.00 0.00 C ATOM 1065 C VAL A 66 79.550 77.030 23.930 1.00 0.00 C ATOM 1066 O VAL A 66 78.590 77.720 23.690 1.00 0.00 O ATOM 1067 CB VAL A 66 79.430 74.940 25.300 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.580 74.350 26.690 1.00 0.00 C ATOM 1069 CG2 VAL A 66 78.010 74.760 24.810 1.00 0.00 C ATOM 0 H VAL A 66 78.240 76.856 26.589 1.00 0.00 H new ATOM 0 HA VAL A 66 80.889 76.430 25.536 1.00 0.00 H new ATOM 0 HB VAL A 66 80.104 74.409 24.628 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.291 73.299 26.672 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.618 74.435 27.011 1.00 0.00 H new ATOM 0 HG13 VAL A 66 78.939 74.891 27.386 1.00 0.00 H new ATOM 0 HG21 VAL A 66 77.749 73.702 24.832 1.00 0.00 H new ATOM 0 HG22 VAL A 66 77.329 75.316 25.455 1.00 0.00 H new ATOM 0 HG23 VAL A 66 77.927 75.133 23.789 1.00 0.00 H new ATOM 1079 N ARG A 67 80.360 76.630 22.990 1.00 0.00 N ATOM 1080 CA ARG A 67 80.150 76.770 21.560 1.00 0.00 C ATOM 1081 C ARG A 67 79.600 75.570 20.830 1.00 0.00 C ATOM 1082 O ARG A 67 79.480 75.670 19.640 1.00 0.00 O ATOM 1083 CB ARG A 67 81.450 77.210 20.940 1.00 0.00 C ATOM 1084 CG ARG A 67 81.850 78.610 21.390 1.00 0.00 C ATOM 1085 CD ARG A 67 81.210 79.650 20.480 1.00 0.00 C ATOM 1086 NE ARG A 67 79.760 79.630 20.580 1.00 0.00 N ATOM 1087 CZ ARG A 67 79.110 80.210 21.570 1.00 0.00 C ATOM 1088 NH1 ARG A 67 79.740 80.790 22.540 1.00 0.00 N ATOM 1089 NH2 ARG A 67 77.830 80.360 21.510 1.00 0.00 N ATOM 0 H ARG A 67 81.243 76.167 23.207 1.00 0.00 H new ATOM 0 HA ARG A 67 79.357 77.510 21.450 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.237 76.504 21.207 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.359 77.190 19.854 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.536 78.774 22.421 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.935 78.713 21.367 1.00 0.00 H new ATOM 0 HD2 ARG A 67 81.580 80.641 20.743 1.00 0.00 H new ATOM 0 HD3 ARG A 67 81.507 79.463 19.448 1.00 0.00 H new ATOM 0 HE ARG A 67 79.225 79.149 19.857 1.00 0.00 H new ATOM 0 HH11 ARG A 67 80.760 80.805 22.549 1.00 0.00 H new ATOM 0 HH12 ARG A 67 79.217 81.232 23.296 1.00 0.00 H new ATOM 0 HH21 ARG A 67 77.315 80.029 20.694 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.333 80.809 22.279 1.00 0.00 H new ATOM 1103 N VAL A 68 79.160 74.490 21.420 1.00 0.00 N ATOM 1104 CA VAL A 68 78.110 73.670 20.790 1.00 0.00 C ATOM 1105 C VAL A 68 76.770 74.390 20.990 1.00 0.00 C ATOM 1106 O VAL A 68 75.740 73.900 20.630 1.00 0.00 O ATOM 1107 CB VAL A 68 78.100 72.240 21.350 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.460 71.570 21.190 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.740 72.260 22.830 1.00 0.00 C ATOM 0 H VAL A 68 79.493 74.146 22.321 1.00 0.00 H new ATOM 0 HA VAL A 68 78.304 73.561 19.723 1.00 0.00 H new ATOM 0 HB VAL A 68 77.358 71.674 20.787 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.418 70.560 21.597 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.721 71.525 20.133 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.215 72.146 21.726 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.736 71.241 23.217 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.475 72.852 23.375 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.751 72.701 22.958 1.00 0.00 H new ATOM 1119 N SER A 69 76.780 75.560 21.630 1.00 0.00 N ATOM 1120 CA SER A 69 75.570 76.360 21.820 1.00 0.00 C ATOM 1121 C SER A 69 75.000 76.840 20.510 1.00 0.00 C ATOM 1122 O SER A 69 73.800 76.860 20.380 1.00 0.00 O ATOM 1123 CB SER A 69 75.820 77.520 22.690 1.00 0.00 C ATOM 1124 OG SER A 69 76.680 78.290 21.980 1.00 0.00 O ATOM 0 H SER A 69 77.621 75.977 22.029 1.00 0.00 H new ATOM 0 HA SER A 69 74.844 75.703 22.299 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.898 78.056 22.914 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.252 77.217 23.644 1.00 0.00 H new ATOM 0 HG SER A 69 77.599 78.095 22.257 1.00 0.00 H new ATOM 1130 N THR A 70 75.830 77.230 19.540 1.00 0.00 N ATOM 1131 CA THR A 70 75.250 77.830 18.350 1.00 0.00 C ATOM 1132 C THR A 70 74.370 76.780 17.690 1.00 0.00 C ATOM 1133 O THR A 70 73.290 77.090 17.230 1.00 0.00 O ATOM 1134 CB THR A 70 76.310 78.340 17.360 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.030 77.250 16.830 1.00 0.00 O ATOM 1136 CG2 THR A 70 77.310 79.290 18.020 1.00 0.00 C ATOM 0 H THR A 70 76.847 77.147 19.553 1.00 0.00 H new ATOM 0 HA THR A 70 74.671 78.706 18.644 1.00 0.00 H new ATOM 0 HB THR A 70 75.778 78.881 16.577 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.703 77.579 16.198 1.00 0.00 H new ATOM 0 HG21 THR A 70 78.038 79.623 17.280 1.00 0.00 H new ATOM 0 HG22 THR A 70 76.780 80.154 18.422 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.825 78.772 18.829 1.00 0.00 H new ATOM 1144 N ASP A 71 74.880 75.530 17.750 1.00 0.00 N ATOM 1145 CA ASP A 71 74.260 74.350 17.210 1.00 0.00 C ATOM 1146 C ASP A 71 73.220 73.810 18.120 1.00 0.00 C ATOM 1147 O ASP A 71 72.120 73.730 17.720 1.00 0.00 O ATOM 1148 CB ASP A 71 75.320 73.290 16.950 1.00 0.00 C ATOM 1149 CG ASP A 71 76.190 73.690 15.790 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.750 74.660 15.060 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.270 73.180 15.640 1.00 0.00 O ATOM 0 H ASP A 71 75.774 75.332 18.200 1.00 0.00 H new ATOM 0 HA ASP A 71 73.772 74.625 16.275 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.932 73.153 17.841 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.842 72.333 16.741 1.00 0.00 H new ATOM 1156 N GLU A 72 73.430 73.510 19.370 1.00 0.00 N ATOM 1157 CA GLU A 72 72.540 72.690 20.160 1.00 0.00 C ATOM 1158 C GLU A 72 72.090 73.410 21.390 1.00 0.00 C ATOM 1159 O GLU A 72 71.090 73.000 21.940 1.00 0.00 O ATOM 1160 CB GLU A 72 73.220 71.390 20.610 1.00 0.00 C ATOM 1161 CG GLU A 72 73.480 70.480 19.410 1.00 0.00 C ATOM 1162 CD GLU A 72 74.190 69.200 19.850 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.520 69.130 21.050 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.420 68.340 18.970 1.00 0.00 O ATOM 0 H GLU A 72 74.247 73.836 19.887 1.00 0.00 H new ATOM 0 HA GLU A 72 71.688 72.463 19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.161 71.619 21.111 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.590 70.875 21.335 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.536 70.231 18.925 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.088 71.005 18.674 1.00 0.00 H new ATOM 1171 N LYS A 73 72.780 74.470 21.880 1.00 0.00 N ATOM 1172 CA LYS A 73 72.180 75.410 22.810 1.00 0.00 C ATOM 1173 C LYS A 73 71.960 74.930 24.250 1.00 0.00 C ATOM 1174 O LYS A 73 71.230 75.560 24.990 1.00 0.00 O ATOM 1175 CB LYS A 73 70.880 75.840 22.180 1.00 0.00 C ATOM 1176 CG LYS A 73 71.070 76.680 20.930 1.00 0.00 C ATOM 1177 CD LYS A 73 69.750 77.080 20.300 1.00 0.00 C ATOM 1178 CE LYS A 73 69.970 77.950 19.070 1.00 0.00 C ATOM 1179 NZ LYS A 73 68.670 78.350 18.500 1.00 0.00 N ATOM 0 H LYS A 73 73.748 74.679 21.637 1.00 0.00 H new ATOM 0 HA LYS A 73 72.893 76.222 22.954 1.00 0.00 H new ATOM 0 HB2 LYS A 73 70.295 74.955 21.930 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.302 76.409 22.908 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.637 77.577 21.180 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.661 76.120 20.205 1.00 0.00 H new ATOM 0 HD2 LYS A 73 69.191 76.187 20.022 1.00 0.00 H new ATOM 0 HD3 LYS A 73 69.145 77.621 21.028 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.547 78.835 19.338 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.551 77.404 18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 68.827 78.944 17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 68.134 77.501 18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 68.131 78.888 19.208 1.00 0.00 H new ATOM 1193 N ASP A 74 72.620 73.860 24.660 1.00 0.00 N ATOM 1194 CA ASP A 74 72.420 73.160 25.910 1.00 0.00 C ATOM 1195 C ASP A 74 73.340 73.460 27.070 1.00 0.00 C ATOM 1196 O ASP A 74 72.890 73.400 28.210 1.00 0.00 O ATOM 1197 CB ASP A 74 72.430 71.660 25.620 1.00 0.00 C ATOM 1198 CG ASP A 74 71.110 71.030 25.950 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.250 71.690 26.650 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.910 69.910 25.580 1.00 0.00 O ATOM 0 H ASP A 74 73.353 73.434 24.092 1.00 0.00 H new ATOM 0 HA ASP A 74 71.465 73.539 26.273 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.662 71.493 24.568 1.00 0.00 H new ATOM 0 HB3 ASP A 74 73.219 71.181 26.200 1.00 0.00 H new ATOM 1205 N PHE A 75 74.640 73.780 26.830 1.00 0.00 N ATOM 1206 CA PHE A 75 75.600 73.900 27.930 1.00 0.00 C ATOM 1207 C PHE A 75 76.070 75.350 28.170 1.00 0.00 C ATOM 1208 O PHE A 75 76.610 76.010 27.300 1.00 0.00 O ATOM 1209 CB PHE A 75 76.790 72.990 27.690 1.00 0.00 C ATOM 1210 CG PHE A 75 76.500 71.520 27.680 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.150 70.840 26.530 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.490 70.830 28.870 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.830 69.480 26.590 1.00 0.00 C ATOM 1214 CE2 PHE A 75 76.230 69.470 28.970 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.890 68.790 27.810 1.00 0.00 C ATOM 0 H PHE A 75 75.028 73.953 25.903 1.00 0.00 H new ATOM 0 HA PHE A 75 75.079 73.590 28.836 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.240 73.258 26.734 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.535 73.188 28.460 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.123 71.359 25.583 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.696 71.377 29.778 1.00 0.00 H new ATOM 0 HE1 PHE A 75 75.535 68.958 25.692 1.00 0.00 H new ATOM 0 HE2 PHE A 75 76.290 68.959 29.919 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.672 67.733 27.846 1.00 0.00 H new ATOM 1225 N LEU A 76 75.900 75.870 29.380 1.00 0.00 N ATOM 1226 CA LEU A 76 76.700 76.920 30.010 1.00 0.00 C ATOM 1227 C LEU A 76 77.970 76.300 30.630 1.00 0.00 C ATOM 1228 O LEU A 76 77.920 75.200 31.180 1.00 0.00 O ATOM 1229 CB LEU A 76 75.860 77.620 31.050 1.00 0.00 C ATOM 1230 CG LEU A 76 74.630 78.340 30.580 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.820 78.910 31.750 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.040 79.490 29.680 1.00 0.00 C ATOM 0 H LEU A 76 75.149 75.549 29.991 1.00 0.00 H new ATOM 0 HA LEU A 76 77.015 77.655 29.270 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.554 76.879 31.789 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.495 78.341 31.565 1.00 0.00 H new ATOM 0 HG LEU A 76 74.009 77.621 30.046 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.938 79.423 31.366 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.510 78.098 32.408 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.435 79.615 32.309 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.150 80.017 29.335 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.677 80.178 30.236 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.588 79.102 28.821 1.00 0.00 H new ATOM 1244 N TYR A 77 79.080 76.960 30.440 1.00 0.00 N ATOM 1245 CA TYR A 77 80.420 76.580 30.910 1.00 0.00 C ATOM 1246 C TYR A 77 80.670 77.420 32.130 1.00 0.00 C ATOM 1247 O TYR A 77 80.920 78.620 32.040 1.00 0.00 O ATOM 1248 CB TYR A 77 81.530 76.860 29.900 1.00 0.00 C ATOM 1249 CG TYR A 77 82.840 76.210 30.290 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.040 74.830 30.070 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.870 76.980 30.850 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.260 74.230 30.410 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.070 76.370 31.150 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.240 75.040 30.990 1.00 0.00 C ATOM 1255 OH TYR A 77 86.440 74.580 31.430 1.00 0.00 O ATOM 0 H TYR A 77 79.092 77.838 29.921 1.00 0.00 H new ATOM 0 HA TYR A 77 80.439 75.505 31.092 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.225 76.497 28.919 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.674 77.937 29.811 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.250 74.234 29.638 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.726 78.033 31.043 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.436 73.180 30.230 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.890 76.968 31.520 1.00 0.00 H new ATOM 0 HH TYR A 77 86.962 75.325 31.796 1.00 0.00 H new ATOM 1265 N GLU A 78 80.560 76.770 33.280 1.00 0.00 N ATOM 1266 CA GLU A 78 80.630 77.450 34.540 1.00 0.00 C ATOM 1267 C GLU A 78 81.920 77.070 35.330 1.00 0.00 C ATOM 1268 O GLU A 78 82.210 75.890 35.530 1.00 0.00 O ATOM 1269 CB GLU A 78 79.380 77.130 35.330 1.00 0.00 C ATOM 1270 CG GLU A 78 79.360 77.860 36.650 1.00 0.00 C ATOM 1271 CD GLU A 78 78.090 77.530 37.440 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.280 76.750 36.890 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.020 78.120 38.540 1.00 0.00 O ATOM 0 H GLU A 78 80.421 75.762 33.353 1.00 0.00 H new ATOM 0 HA GLU A 78 80.685 78.525 34.367 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.500 77.404 34.748 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.324 76.056 35.506 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.238 77.586 37.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.416 78.935 36.476 1.00 0.00 H new ATOM 1280 N LEU A 79 82.690 78.020 35.800 1.00 0.00 N ATOM 1281 CA LEU A 79 83.910 77.670 36.580 1.00 0.00 C ATOM 1282 C LEU A 79 83.870 78.160 37.970 1.00 0.00 C ATOM 1283 O LEU A 79 83.630 79.340 38.140 1.00 0.00 O ATOM 1284 CB LEU A 79 85.130 78.190 35.860 1.00 0.00 C ATOM 1285 CG LEU A 79 85.310 77.530 34.500 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.400 78.210 33.750 1.00 0.00 C ATOM 1287 CD2 LEU A 79 85.670 76.070 34.640 1.00 0.00 C ATOM 0 H LEU A 79 82.525 79.019 35.676 1.00 0.00 H new ATOM 0 HA LEU A 79 83.955 76.583 36.649 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.043 79.269 35.731 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.015 78.012 36.470 1.00 0.00 H new ATOM 0 HG LEU A 79 84.364 77.614 33.965 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.525 77.734 32.778 1.00 0.00 H new ATOM 0 HD12 LEU A 79 86.145 79.260 33.610 1.00 0.00 H new ATOM 0 HD13 LEU A 79 87.331 78.135 34.313 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.791 75.629 33.651 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.603 75.977 35.196 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.876 75.549 35.175 1.00 0.00 H new ATOM 1299 N HIS A 80 84.150 77.290 38.970 1.00 0.00 N ATOM 1300 CA HIS A 80 84.060 77.640 40.360 1.00 0.00 C ATOM 1301 C HIS A 80 85.470 77.690 40.890 1.00 0.00 C ATOM 1302 O HIS A 80 86.190 76.740 40.720 1.00 0.00 O ATOM 1303 CB HIS A 80 83.220 76.620 41.150 1.00 0.00 C ATOM 1304 CG HIS A 80 81.830 76.370 40.620 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.100 75.240 40.930 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.090 77.150 39.780 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.930 75.340 40.290 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.910 76.470 39.580 1.00 0.00 N ATOM 0 H HIS A 80 84.444 76.327 38.807 1.00 0.00 H new ATOM 0 HA HIS A 80 83.561 78.602 40.474 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.758 75.672 41.171 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.140 76.963 42.181 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.397 74.473 41.534 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.372 78.104 39.359 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.127 74.619 40.340 1.00 0.00 H new ATOM 1316 N ILE A 81 85.860 78.820 41.500 1.00 0.00 N ATOM 1317 CA ILE A 81 87.210 79.010 42.030 1.00 0.00 C ATOM 1318 C ILE A 81 88.290 78.740 40.970 1.00 0.00 C ATOM 1319 O ILE A 81 89.270 78.060 41.240 1.00 0.00 O ATOM 1320 CB ILE A 81 87.440 78.110 43.260 1.00 0.00 C ATOM 1321 CG1 ILE A 81 86.470 78.480 44.370 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.870 78.250 43.820 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.490 77.470 45.510 1.00 0.00 C ATOM 0 H ILE A 81 85.246 79.623 41.637 1.00 0.00 H new ATOM 0 HA ILE A 81 87.294 80.055 42.328 1.00 0.00 H new ATOM 0 HB ILE A 81 87.284 77.083 42.930 1.00 0.00 H new ATOM 0 HG12 ILE A 81 86.722 79.467 44.757 1.00 0.00 H new ATOM 0 HG13 ILE A 81 85.461 78.546 43.962 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.987 77.598 44.686 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.591 77.967 43.053 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.044 79.284 44.118 1.00 0.00 H new ATOM 0 HD11 ILE A 81 85.781 77.776 46.280 1.00 0.00 H new ATOM 0 HD12 ILE A 81 86.211 76.487 45.130 1.00 0.00 H new ATOM 0 HD13 ILE A 81 87.492 77.423 45.937 1.00 0.00 H new ATOM 1335 N ILE A 82 88.180 79.210 39.720 1.00 0.00 N ATOM 1336 CA ILE A 82 89.140 78.680 38.780 1.00 0.00 C ATOM 1337 C ILE A 82 90.570 79.330 38.850 1.00 0.00 C ATOM 1338 O ILE A 82 91.390 78.600 38.350 1.00 0.00 O ATOM 1339 CB ILE A 82 88.560 78.630 37.380 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.490 77.910 36.400 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.270 80.040 36.890 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.860 77.640 35.070 1.00 0.00 C ATOM 1343 OXT ILE A 82 90.810 80.430 39.470 1.00 0.00 O ATOM 0 H ILE A 82 87.503 79.889 39.371 1.00 0.00 H new ATOM 0 HA ILE A 82 89.329 77.653 39.093 1.00 0.00 H new ATOM 0 HB ILE A 82 87.631 78.061 37.425 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.387 78.512 36.253 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.809 76.965 36.841 1.00 0.00 H new ATOM 0 HG21 ILE A 82 87.854 79.997 35.884 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.554 80.518 37.559 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.194 80.618 36.876 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.575 77.128 34.426 1.00 0.00 H new ATOM 0 HD12 ILE A 82 87.979 77.012 35.205 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.566 78.583 34.608 1.00 0.00 H new TER 1355 ILE A 82