USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS :FLIP no HE2:sc= -0.879 F(o=-3.7!,f=-0.97) USER MOD Set 1.2: A 47 MET CE :methyl 154:sc= -0.0884 (180deg=-0.615) USER MOD Set 2.1: A 34 SER OG : rot -157:sc= -1.41! USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 SER OG : rot -60:sc= -0.775 USER MOD Set 3.2: A 4 LYS NZ :NH3+ -131:sc= -0.584 (180deg=-2.6!) USER MOD Single : A 1 SER N :NH3+ 179:sc= 0 (180deg=-0.00061) USER MOD Single : A 2 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.037) USER MOD Single : A 3 MET CE :methyl -116:sc= -5.57! (180deg=-7.87!) USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= 0.505 (180deg=-0.285) USER MOD Single : A 10 ASN : amide:sc= -0.784 K(o=-0.78,f=-2.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0007 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.0655 K(o=-0.066,f=-2.7!) USER MOD Single : A 29 SER OG : rot -52:sc= 0.444 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -88:sc= 0.0641 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc=-0.00299 (180deg=-1.15) USER MOD Single : A 59 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 110:sc= -0.272 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -6.12! C(o=-6.1!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 81.640 64.520 42.290 1.00 0.00 N ATOM 2 CA SER A 1 80.650 64.810 41.240 1.00 0.00 C ATOM 3 C SER A 1 80.950 64.070 39.960 1.00 0.00 C ATOM 4 O SER A 1 81.970 63.680 39.560 1.00 0.00 O ATOM 5 CB SER A 1 80.580 66.300 40.970 1.00 0.00 C ATOM 6 OG SER A 1 81.780 66.760 40.450 1.00 0.00 O ATOM 0 H1 SER A 1 81.406 65.061 43.147 1.00 0.00 H new ATOM 0 H2 SER A 1 81.627 63.503 42.509 1.00 0.00 H new ATOM 0 H3 SER A 1 82.588 64.790 41.958 1.00 0.00 H new ATOM 0 HA SER A 1 79.684 64.464 41.607 1.00 0.00 H new ATOM 0 HB2 SER A 1 79.770 66.510 40.271 1.00 0.00 H new ATOM 0 HB3 SER A 1 80.350 66.832 41.893 1.00 0.00 H new ATOM 0 HG SER A 1 82.501 66.589 41.091 1.00 0.00 H new ATOM 14 N HIS A 2 79.880 63.790 39.230 1.00 0.00 N ATOM 15 CA HIS A 2 79.760 62.920 38.090 1.00 0.00 C ATOM 16 C HIS A 2 80.490 63.280 36.790 1.00 0.00 C ATOM 17 O HIS A 2 81.060 62.420 36.140 1.00 0.00 O ATOM 18 CB HIS A 2 78.250 62.820 37.870 1.00 0.00 C ATOM 19 CG HIS A 2 77.530 62.180 39.010 1.00 0.00 C ATOM 20 ND1 HIS A 2 77.540 60.820 39.260 1.00 0.00 N ATOM 21 CD2 HIS A 2 76.760 62.740 39.990 1.00 0.00 C ATOM 22 CE1 HIS A 2 76.780 60.610 40.350 1.00 0.00 C ATOM 23 NE2 HIS A 2 76.300 61.760 40.810 1.00 0.00 N ATOM 0 H HIS A 2 78.982 64.219 39.455 1.00 0.00 H new ATOM 0 HA HIS A 2 80.275 61.990 38.330 1.00 0.00 H new ATOM 0 HB2 HIS A 2 77.846 63.819 37.709 1.00 0.00 H new ATOM 0 HB3 HIS A 2 78.059 62.249 36.962 1.00 0.00 H new ATOM 0 HD2 HIS A 2 76.551 63.794 40.096 1.00 0.00 H new ATOM 0 HE1 HIS A 2 76.587 59.642 40.789 1.00 0.00 H new ATOM 0 HE2 HIS A 2 75.699 61.884 41.625 1.00 0.00 H new ATOM 31 N MET A 3 80.480 64.520 36.350 1.00 0.00 N ATOM 32 CA MET A 3 81.550 65.150 35.610 1.00 0.00 C ATOM 33 C MET A 3 81.280 66.600 35.840 1.00 0.00 C ATOM 34 O MET A 3 80.810 67.290 35.040 1.00 0.00 O ATOM 35 CB MET A 3 81.550 64.860 34.100 1.00 0.00 C ATOM 36 CG MET A 3 82.680 65.610 33.360 1.00 0.00 C ATOM 37 SD MET A 3 82.670 67.410 33.180 1.00 0.00 S ATOM 38 CE MET A 3 80.990 67.560 32.420 1.00 0.00 C ATOM 0 H MET A 3 79.689 65.144 36.506 1.00 0.00 H new ATOM 0 HA MET A 3 82.521 64.784 35.943 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.661 63.788 33.938 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.588 65.148 33.677 1.00 0.00 H new ATOM 0 HG2 MET A 3 83.612 65.348 33.860 1.00 0.00 H new ATOM 0 HG3 MET A 3 82.730 65.193 32.354 1.00 0.00 H new ATOM 0 HE1 MET A 3 81.082 67.955 31.408 1.00 0.00 H new ATOM 0 HE2 MET A 3 80.518 66.578 32.385 1.00 0.00 H new ATOM 0 HE3 MET A 3 80.379 68.236 33.018 1.00 0.00 H new ATOM 48 N LYS A 4 81.260 67.100 37.060 1.00 0.00 N ATOM 49 CA LYS A 4 81.200 68.530 37.250 1.00 0.00 C ATOM 50 C LYS A 4 80.090 69.320 36.570 1.00 0.00 C ATOM 51 O LYS A 4 80.320 70.410 36.060 1.00 0.00 O ATOM 52 CB LYS A 4 82.540 69.120 36.850 1.00 0.00 C ATOM 53 CG LYS A 4 83.630 68.540 37.730 1.00 0.00 C ATOM 54 CD LYS A 4 83.500 68.920 39.170 1.00 0.00 C ATOM 55 CE LYS A 4 84.490 68.160 40.040 1.00 0.00 C ATOM 56 NZ LYS A 4 84.250 68.520 41.460 1.00 0.00 N ATOM 0 H LYS A 4 81.284 66.548 37.917 1.00 0.00 H new ATOM 0 HA LYS A 4 80.955 68.634 38.307 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.748 68.901 35.803 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.516 70.205 36.950 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.613 67.453 37.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 84.600 68.873 37.361 1.00 0.00 H new ATOM 0 HD2 LYS A 4 83.665 69.992 39.281 1.00 0.00 H new ATOM 0 HD3 LYS A 4 82.485 68.717 39.510 1.00 0.00 H new ATOM 0 HE2 LYS A 4 84.371 67.086 39.897 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.512 68.409 39.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 85.153 68.771 41.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 83.602 69.332 41.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 83.827 67.710 41.957 1.00 0.00 H new ATOM 70 N LEU A 5 78.890 68.800 36.600 1.00 0.00 N ATOM 71 CA LEU A 5 77.920 69.450 35.780 1.00 0.00 C ATOM 72 C LEU A 5 76.620 69.620 36.440 1.00 0.00 C ATOM 73 O LEU A 5 76.210 68.760 37.210 1.00 0.00 O ATOM 74 CB LEU A 5 77.870 68.690 34.480 1.00 0.00 C ATOM 75 CG LEU A 5 77.310 67.290 34.630 1.00 0.00 C ATOM 76 CD1 LEU A 5 75.840 67.280 35.040 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.390 66.580 33.310 1.00 0.00 C ATOM 0 H LEU A 5 78.582 67.991 37.140 1.00 0.00 H new ATOM 0 HA LEU A 5 78.212 70.481 35.583 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.261 69.244 33.766 1.00 0.00 H new ATOM 0 HB3 LEU A 5 78.875 68.630 34.062 1.00 0.00 H new ATOM 0 HG LEU A 5 77.901 66.804 35.406 1.00 0.00 H new ATOM 0 HD11 LEU A 5 75.495 66.250 35.132 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.726 67.788 35.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 75.248 67.795 34.284 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.988 65.572 33.414 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.810 67.127 32.567 1.00 0.00 H new ATOM 0 HD23 LEU A 5 78.430 66.524 32.989 1.00 0.00 H new ATOM 89 N VAL A 6 75.950 70.610 35.940 1.00 0.00 N ATOM 90 CA VAL A 6 74.690 71.020 36.580 1.00 0.00 C ATOM 91 C VAL A 6 73.650 70.660 35.570 1.00 0.00 C ATOM 92 O VAL A 6 73.850 70.980 34.410 1.00 0.00 O ATOM 93 CB VAL A 6 74.660 72.520 36.940 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.370 72.890 37.600 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.750 72.900 37.910 1.00 0.00 C ATOM 0 H VAL A 6 76.222 71.149 35.118 1.00 0.00 H new ATOM 0 HA VAL A 6 74.536 70.525 37.539 1.00 0.00 H new ATOM 0 HB VAL A 6 74.794 73.045 35.994 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.377 73.953 37.842 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.542 72.677 36.924 1.00 0.00 H new ATOM 0 HG13 VAL A 6 73.250 72.310 38.515 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.685 73.965 38.131 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.632 72.330 38.832 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.722 72.679 37.469 1.00 0.00 H new ATOM 105 N LEU A 7 72.510 70.010 35.910 1.00 0.00 N ATOM 106 CA LEU A 7 71.480 69.840 34.870 1.00 0.00 C ATOM 107 C LEU A 7 70.250 70.630 35.310 1.00 0.00 C ATOM 108 O LEU A 7 69.790 70.530 36.370 1.00 0.00 O ATOM 109 CB LEU A 7 71.070 68.360 34.660 1.00 0.00 C ATOM 110 CG LEU A 7 72.220 67.490 34.120 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.800 66.070 34.050 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.610 67.910 32.720 1.00 0.00 C ATOM 0 H LEU A 7 72.293 69.622 36.828 1.00 0.00 H new ATOM 0 HA LEU A 7 71.889 70.195 33.924 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.722 67.947 35.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 70.231 68.316 33.966 1.00 0.00 H new ATOM 0 HG LEU A 7 73.063 67.616 34.799 1.00 0.00 H new ATOM 0 HD11 LEU A 7 72.622 65.466 33.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 71.528 65.722 35.046 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.941 65.977 33.386 1.00 0.00 H new ATOM 0 HD21 LEU A 7 73.424 67.279 32.364 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.752 67.804 32.056 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.935 68.950 32.730 1.00 0.00 H new ATOM 124 N ALA A 8 69.610 71.320 34.350 1.00 0.00 N ATOM 125 CA ALA A 8 68.340 72.020 34.460 1.00 0.00 C ATOM 126 C ALA A 8 67.190 71.100 34.730 1.00 0.00 C ATOM 127 O ALA A 8 67.100 70.000 34.190 1.00 0.00 O ATOM 128 CB ALA A 8 68.090 72.750 33.160 1.00 0.00 C ATOM 0 H ALA A 8 70.004 71.403 33.413 1.00 0.00 H new ATOM 0 HA ALA A 8 68.407 72.706 35.305 1.00 0.00 H new ATOM 0 HB1 ALA A 8 67.141 73.283 33.219 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.896 73.462 32.982 1.00 0.00 H new ATOM 0 HB3 ALA A 8 68.052 72.032 32.341 1.00 0.00 H new ATOM 134 N LYS A 9 66.250 71.590 35.550 1.00 0.00 N ATOM 135 CA LYS A 9 65.070 70.820 35.830 1.00 0.00 C ATOM 136 C LYS A 9 63.990 70.880 34.790 1.00 0.00 C ATOM 137 O LYS A 9 63.160 69.990 34.790 1.00 0.00 O ATOM 138 CB LYS A 9 64.510 71.210 37.190 1.00 0.00 C ATOM 139 CG LYS A 9 63.970 72.650 37.210 1.00 0.00 C ATOM 140 CD LYS A 9 65.090 73.680 37.160 1.00 0.00 C ATOM 141 CE LYS A 9 64.570 75.090 37.160 1.00 0.00 C ATOM 142 NZ LYS A 9 65.700 76.050 37.060 1.00 0.00 N ATOM 0 H LYS A 9 66.297 72.497 36.013 1.00 0.00 H new ATOM 0 HA LYS A 9 65.402 69.782 35.823 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.710 70.521 37.462 1.00 0.00 H new ATOM 0 HB3 LYS A 9 65.290 71.107 37.944 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.303 72.799 36.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 63.377 72.802 38.112 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.749 73.538 38.017 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.691 73.517 36.265 1.00 0.00 H new ATOM 0 HE2 LYS A 9 63.885 75.234 36.324 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.003 75.277 38.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 65.607 76.774 37.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 66.599 75.542 37.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.685 76.507 36.126 1.00 0.00 H new ATOM 156 N ASN A 10 63.940 71.860 33.920 1.00 0.00 N ATOM 157 CA ASN A 10 62.740 72.070 33.070 1.00 0.00 C ATOM 158 C ASN A 10 62.500 70.830 32.150 1.00 0.00 C ATOM 159 O ASN A 10 61.370 70.390 31.960 1.00 0.00 O ATOM 160 CB ASN A 10 62.880 73.350 32.230 1.00 0.00 C ATOM 161 CG ASN A 10 61.600 73.680 31.470 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.750 72.840 31.280 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.440 74.900 31.000 1.00 0.00 N ATOM 0 H ASN A 10 64.694 72.529 33.765 1.00 0.00 H new ATOM 0 HA ASN A 10 61.875 72.189 33.723 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.139 74.184 32.882 1.00 0.00 H new ATOM 0 HB3 ASN A 10 63.701 73.231 31.523 1.00 0.00 H new ATOM 0 HD21 ASN A 10 60.599 75.138 30.475 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.158 75.607 31.161 1.00 0.00 H new ATOM 170 N THR A 11 63.510 70.220 31.580 1.00 0.00 N ATOM 171 CA THR A 11 63.280 69.240 30.500 1.00 0.00 C ATOM 172 C THR A 11 63.320 67.900 31.150 1.00 0.00 C ATOM 173 O THR A 11 62.480 67.060 30.860 1.00 0.00 O ATOM 174 CB THR A 11 64.320 69.300 29.370 1.00 0.00 C ATOM 175 OG1 THR A 11 65.600 69.000 29.910 1.00 0.00 O ATOM 176 CG2 THR A 11 64.370 70.690 28.750 1.00 0.00 C ATOM 0 H THR A 11 64.489 70.368 31.826 1.00 0.00 H new ATOM 0 HA THR A 11 62.326 69.458 30.020 1.00 0.00 H new ATOM 0 HB THR A 11 64.041 68.580 28.601 1.00 0.00 H new ATOM 0 HG1 THR A 11 66.272 69.034 29.197 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.113 70.706 27.953 1.00 0.00 H new ATOM 0 HG22 THR A 11 63.392 70.941 28.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 64.640 71.419 29.513 1.00 0.00 H new ATOM 184 N ARG A 12 64.310 67.650 32.080 1.00 0.00 N ATOM 185 CA ARG A 12 64.370 66.340 32.660 1.00 0.00 C ATOM 186 C ARG A 12 63.570 66.150 33.960 1.00 0.00 C ATOM 187 O ARG A 12 62.810 65.200 34.100 1.00 0.00 O ATOM 188 CB ARG A 12 65.840 66.000 32.850 1.00 0.00 C ATOM 189 CG ARG A 12 66.540 65.870 31.500 1.00 0.00 C ATOM 190 CD ARG A 12 68.020 65.580 31.700 1.00 0.00 C ATOM 191 NE ARG A 12 68.720 65.490 30.410 1.00 0.00 N ATOM 192 CZ ARG A 12 69.060 66.540 29.700 1.00 0.00 C ATOM 193 NH1 ARG A 12 68.800 67.730 30.170 1.00 0.00 N ATOM 194 NH2 ARG A 12 69.670 66.430 28.560 1.00 0.00 N ATOM 0 H ARG A 12 65.013 68.317 32.399 1.00 0.00 H new ATOM 0 HA ARG A 12 63.878 65.652 31.973 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.324 66.775 33.444 1.00 0.00 H new ATOM 0 HB3 ARG A 12 65.934 65.067 33.406 1.00 0.00 H new ATOM 0 HG2 ARG A 12 66.081 65.070 30.920 1.00 0.00 H new ATOM 0 HG3 ARG A 12 66.416 66.790 30.928 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.469 66.366 32.307 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.140 64.646 32.249 1.00 0.00 H new ATOM 0 HE ARG A 12 68.953 64.565 30.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 68.340 67.832 31.075 1.00 0.00 H new ATOM 0 HH12 ARG A 12 69.057 68.558 29.632 1.00 0.00 H new ATOM 0 HH21 ARG A 12 69.899 65.507 28.191 1.00 0.00 H new ATOM 0 HH22 ARG A 12 69.920 67.266 28.033 1.00 0.00 H new ATOM 208 N LYS A 13 63.790 67.110 34.890 1.00 0.00 N ATOM 209 CA LYS A 13 63.130 67.200 36.200 1.00 0.00 C ATOM 210 C LYS A 13 63.180 65.880 36.900 1.00 0.00 C ATOM 211 O LYS A 13 62.140 65.310 37.230 1.00 0.00 O ATOM 212 CB LYS A 13 61.670 67.670 36.030 1.00 0.00 C ATOM 213 CG LYS A 13 60.970 67.880 37.380 1.00 0.00 C ATOM 214 CD LYS A 13 59.540 68.340 37.180 1.00 0.00 C ATOM 215 CE LYS A 13 58.840 68.510 38.530 1.00 0.00 C ATOM 216 NZ LYS A 13 57.450 68.970 38.320 1.00 0.00 N ATOM 0 H LYS A 13 64.457 67.866 34.736 1.00 0.00 H new ATOM 0 HA LYS A 13 63.660 67.932 36.810 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.653 68.602 35.465 1.00 0.00 H new ATOM 0 HB3 LYS A 13 61.118 66.933 35.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.981 66.950 37.949 1.00 0.00 H new ATOM 0 HG3 LYS A 13 61.516 68.619 37.966 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.528 69.284 36.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 59.000 67.614 36.572 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.842 67.564 39.072 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.382 69.230 39.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.979 69.084 39.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.458 69.882 37.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.934 68.268 37.752 1.00 0.00 H new ATOM 230 N SER A 14 64.390 65.330 37.110 1.00 0.00 N ATOM 231 CA SER A 14 64.410 64.220 38.050 1.00 0.00 C ATOM 232 C SER A 14 64.750 64.520 39.490 1.00 0.00 C ATOM 233 O SER A 14 64.020 64.220 40.410 1.00 0.00 O ATOM 234 CB SER A 14 65.320 63.160 37.500 1.00 0.00 C ATOM 235 OG SER A 14 66.570 63.700 37.350 1.00 0.00 O ATOM 0 H SER A 14 65.276 65.605 36.687 1.00 0.00 H new ATOM 0 HA SER A 14 63.372 63.895 38.124 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.355 62.303 38.173 1.00 0.00 H new ATOM 0 HB3 SER A 14 64.946 62.798 36.542 1.00 0.00 H new ATOM 0 HG SER A 14 67.179 63.020 36.993 1.00 0.00 H new ATOM 241 N ASP A 15 65.770 65.260 39.730 1.00 0.00 N ATOM 242 CA ASP A 15 66.120 65.980 40.960 1.00 0.00 C ATOM 243 C ASP A 15 66.840 67.300 40.720 1.00 0.00 C ATOM 244 O ASP A 15 67.110 68.040 41.660 1.00 0.00 O ATOM 245 CB ASP A 15 66.990 65.100 41.830 1.00 0.00 C ATOM 246 CG ASP A 15 68.280 64.730 41.170 1.00 0.00 C ATOM 247 OD1 ASP A 15 68.270 64.920 39.890 1.00 0.00 O ATOM 248 OD2 ASP A 15 69.260 64.310 41.740 1.00 0.00 O ATOM 0 H ASP A 15 66.474 65.410 39.008 1.00 0.00 H new ATOM 0 HA ASP A 15 65.176 66.219 41.450 1.00 0.00 H new ATOM 0 HB2 ASP A 15 67.201 65.617 42.766 1.00 0.00 H new ATOM 0 HB3 ASP A 15 66.443 64.192 42.083 1.00 0.00 H new ATOM 253 N ALA A 16 67.080 67.740 39.470 1.00 0.00 N ATOM 254 CA ALA A 16 68.300 68.390 39.020 1.00 0.00 C ATOM 255 C ALA A 16 68.460 69.690 39.780 1.00 0.00 C ATOM 256 O ALA A 16 69.550 70.110 40.120 1.00 0.00 O ATOM 257 CB ALA A 16 68.220 68.650 37.510 1.00 0.00 C ATOM 0 H ALA A 16 66.392 67.642 38.723 1.00 0.00 H new ATOM 0 HA ALA A 16 69.163 67.752 39.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.136 69.137 37.176 1.00 0.00 H new ATOM 0 HB2 ALA A 16 68.100 67.703 36.984 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.367 69.295 37.296 1.00 0.00 H new ATOM 263 N LYS A 17 67.320 70.340 40.030 1.00 0.00 N ATOM 264 CA LYS A 17 67.110 71.680 40.500 1.00 0.00 C ATOM 265 C LYS A 17 67.820 71.980 41.800 1.00 0.00 C ATOM 266 O LYS A 17 67.820 71.160 42.700 1.00 0.00 O ATOM 267 CB LYS A 17 65.600 71.910 40.630 1.00 0.00 C ATOM 268 CG LYS A 17 65.290 73.340 41.030 1.00 0.00 C ATOM 269 CD LYS A 17 63.790 73.560 41.120 1.00 0.00 C ATOM 270 CE LYS A 17 63.490 74.970 41.540 1.00 0.00 C ATOM 271 NZ LYS A 17 62.050 75.160 41.700 1.00 0.00 N ATOM 0 H LYS A 17 66.427 69.868 39.885 1.00 0.00 H new ATOM 0 HA LYS A 17 67.544 72.368 39.774 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.113 71.682 39.682 1.00 0.00 H new ATOM 0 HB3 LYS A 17 65.189 71.226 41.372 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.753 73.562 41.991 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.720 74.028 40.302 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.328 73.356 40.154 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.356 72.861 41.835 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.999 75.193 42.478 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.874 75.667 40.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.859 76.140 41.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.572 74.968 40.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.692 74.508 42.427 1.00 0.00 H new ATOM 285 N SER A 18 68.270 73.270 41.800 1.00 0.00 N ATOM 286 CA SER A 18 68.950 74.060 42.860 1.00 0.00 C ATOM 287 C SER A 18 70.320 73.560 43.220 1.00 0.00 C ATOM 288 O SER A 18 70.930 74.050 44.170 1.00 0.00 O ATOM 289 CB SER A 18 68.090 74.110 44.120 1.00 0.00 C ATOM 290 OG SER A 18 66.900 74.820 43.820 1.00 0.00 O ATOM 0 H SER A 18 68.149 73.840 40.963 1.00 0.00 H new ATOM 0 HA SER A 18 69.080 75.056 42.438 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.855 73.101 44.459 1.00 0.00 H new ATOM 0 HB3 SER A 18 68.631 74.600 44.929 1.00 0.00 H new ATOM 0 HG SER A 18 66.333 74.861 44.619 1.00 0.00 H new ATOM 296 N VAL A 19 70.760 72.580 42.400 1.00 0.00 N ATOM 297 CA VAL A 19 72.050 71.930 42.580 1.00 0.00 C ATOM 298 C VAL A 19 73.230 72.840 42.440 1.00 0.00 C ATOM 299 O VAL A 19 74.200 72.700 43.150 1.00 0.00 O ATOM 300 CB VAL A 19 72.200 70.760 41.590 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.340 71.270 40.160 1.00 0.00 C ATOM 302 CG2 VAL A 19 73.430 69.930 41.910 1.00 0.00 C ATOM 0 H VAL A 19 70.226 72.229 41.605 1.00 0.00 H new ATOM 0 HA VAL A 19 72.050 71.577 43.611 1.00 0.00 H new ATOM 0 HB VAL A 19 71.302 70.149 41.684 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.444 70.424 39.481 1.00 0.00 H new ATOM 0 HG12 VAL A 19 71.454 71.845 39.890 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.222 71.906 40.085 1.00 0.00 H new ATOM 0 HG21 VAL A 19 73.512 69.111 41.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 74.319 70.557 41.846 1.00 0.00 H new ATOM 0 HG23 VAL A 19 73.343 69.525 42.918 1.00 0.00 H new ATOM 312 N GLU A 20 73.200 73.850 41.570 1.00 0.00 N ATOM 313 CA GLU A 20 74.290 74.760 41.370 1.00 0.00 C ATOM 314 C GLU A 20 74.490 75.470 42.680 1.00 0.00 C ATOM 315 O GLU A 20 75.590 75.600 43.140 1.00 0.00 O ATOM 316 CB GLU A 20 74.010 75.780 40.260 1.00 0.00 C ATOM 317 CG GLU A 20 72.840 76.710 40.630 1.00 0.00 C ATOM 318 CD GLU A 20 71.500 76.020 40.460 1.00 0.00 C ATOM 319 OE1 GLU A 20 71.490 74.900 39.980 1.00 0.00 O ATOM 320 OE2 GLU A 20 70.450 76.750 40.610 1.00 0.00 O ATOM 0 H GLU A 20 72.392 74.049 40.980 1.00 0.00 H new ATOM 0 HA GLU A 20 75.177 74.209 41.056 1.00 0.00 H new ATOM 0 HB2 GLU A 20 74.905 76.375 40.077 1.00 0.00 H new ATOM 0 HB3 GLU A 20 73.780 75.256 39.332 1.00 0.00 H new ATOM 0 HG2 GLU A 20 72.951 77.041 41.663 1.00 0.00 H new ATOM 0 HG3 GLU A 20 72.872 77.602 40.004 1.00 0.00 H new ATOM 327 N LEU A 21 73.440 75.830 43.430 1.00 0.00 N ATOM 328 CA LEU A 21 73.650 76.820 44.510 1.00 0.00 C ATOM 329 C LEU A 21 74.540 76.170 45.550 1.00 0.00 C ATOM 330 O LEU A 21 75.440 76.790 46.090 1.00 0.00 O ATOM 331 CB LEU A 21 72.320 77.260 45.140 1.00 0.00 C ATOM 332 CG LEU A 21 71.470 78.090 44.170 1.00 0.00 C ATOM 333 CD1 LEU A 21 70.140 78.400 44.800 1.00 0.00 C ATOM 334 CD2 LEU A 21 72.140 79.410 43.850 1.00 0.00 C ATOM 0 H LEU A 21 72.488 75.479 43.326 1.00 0.00 H new ATOM 0 HA LEU A 21 74.115 77.718 44.104 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.758 76.380 45.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 72.520 77.845 46.038 1.00 0.00 H new ATOM 0 HG LEU A 21 71.348 77.507 43.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.538 78.990 44.108 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.621 77.470 45.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.296 78.966 45.719 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.515 79.977 43.160 1.00 0.00 H new ATOM 0 HD22 LEU A 21 72.277 79.980 44.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 73.111 79.223 43.390 1.00 0.00 H new ATOM 346 N GLU A 22 74.190 74.930 45.830 1.00 0.00 N ATOM 347 CA GLU A 22 74.960 73.960 46.570 1.00 0.00 C ATOM 348 C GLU A 22 76.250 73.540 45.970 1.00 0.00 C ATOM 349 O GLU A 22 77.220 73.470 46.720 1.00 0.00 O ATOM 350 CB GLU A 22 74.090 72.730 46.760 1.00 0.00 C ATOM 351 CG GLU A 22 74.800 71.670 47.620 1.00 0.00 C ATOM 352 CD GLU A 22 73.910 70.470 47.870 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.760 70.540 47.420 1.00 0.00 O ATOM 354 OE2 GLU A 22 74.330 69.530 48.560 1.00 0.00 O ATOM 0 H GLU A 22 73.295 74.551 45.522 1.00 0.00 H new ATOM 0 HA GLU A 22 75.238 74.454 47.501 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.151 73.016 47.234 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.840 72.305 45.788 1.00 0.00 H new ATOM 0 HG2 GLU A 22 75.714 71.348 47.121 1.00 0.00 H new ATOM 0 HG3 GLU A 22 75.094 72.111 48.573 1.00 0.00 H new ATOM 361 N ASP A 23 76.360 73.290 44.650 1.00 0.00 N ATOM 362 CA ASP A 23 77.670 72.900 44.190 1.00 0.00 C ATOM 363 C ASP A 23 78.590 74.010 44.460 1.00 0.00 C ATOM 364 O ASP A 23 79.710 73.820 44.880 1.00 0.00 O ATOM 365 CB ASP A 23 77.700 72.550 42.710 1.00 0.00 C ATOM 366 CG ASP A 23 77.030 71.230 42.500 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.750 70.570 43.600 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.840 70.870 41.350 1.00 0.00 O ATOM 0 H ASP A 23 75.619 73.348 43.951 1.00 0.00 H new ATOM 0 HA ASP A 23 77.966 71.996 44.723 1.00 0.00 H new ATOM 0 HB2 ASP A 23 77.195 73.323 42.132 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.730 72.508 42.355 1.00 0.00 H new ATOM 373 N LEU A 24 78.100 75.200 44.300 1.00 0.00 N ATOM 374 CA LEU A 24 78.890 76.420 44.420 1.00 0.00 C ATOM 375 C LEU A 24 79.580 76.510 45.730 1.00 0.00 C ATOM 376 O LEU A 24 80.810 76.560 45.780 1.00 0.00 O ATOM 377 CB LEU A 24 78.010 77.600 44.110 1.00 0.00 C ATOM 378 CG LEU A 24 77.950 77.980 42.640 1.00 0.00 C ATOM 379 CD1 LEU A 24 77.370 76.890 41.780 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.050 79.170 42.460 1.00 0.00 C ATOM 0 H LEU A 24 77.119 75.371 44.077 1.00 0.00 H new ATOM 0 HA LEU A 24 79.701 76.410 43.691 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.000 77.383 44.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 78.364 78.459 44.679 1.00 0.00 H new ATOM 0 HG LEU A 24 78.979 78.179 42.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.352 77.217 40.741 1.00 0.00 H new ATOM 0 HD12 LEU A 24 77.983 75.993 41.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.354 76.669 42.108 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.010 79.439 41.405 1.00 0.00 H new ATOM 0 HD22 LEU A 24 76.048 78.924 42.810 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.439 80.011 43.034 1.00 0.00 H new ATOM 392 N TYR A 25 78.780 76.590 46.820 1.00 0.00 N ATOM 393 CA TYR A 25 79.360 76.830 48.110 1.00 0.00 C ATOM 394 C TYR A 25 80.320 75.680 48.360 1.00 0.00 C ATOM 395 O TYR A 25 81.450 75.890 48.800 1.00 0.00 O ATOM 396 CB TYR A 25 78.300 76.900 49.230 1.00 0.00 C ATOM 397 CG TYR A 25 78.930 77.060 50.590 1.00 0.00 C ATOM 398 CD1 TYR A 25 79.310 75.930 51.290 1.00 0.00 C ATOM 399 CD2 TYR A 25 79.100 78.320 51.180 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.950 76.080 52.510 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.730 78.450 52.420 1.00 0.00 C ATOM 402 CZ TYR A 25 80.180 77.300 53.100 1.00 0.00 C ATOM 403 OH TYR A 25 80.900 77.220 54.230 1.00 0.00 O ATOM 0 H TYR A 25 77.765 76.492 46.809 1.00 0.00 H new ATOM 0 HA TYR A 25 79.864 77.796 48.120 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.627 77.736 49.041 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.695 75.994 49.214 1.00 0.00 H new ATOM 0 HD1 TYR A 25 79.111 74.946 50.892 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.740 79.201 50.670 1.00 0.00 H new ATOM 0 HE1 TYR A 25 80.286 75.192 53.024 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.872 79.428 52.856 1.00 0.00 H new ATOM 0 HH TYR A 25 81.030 78.118 54.599 1.00 0.00 H new ATOM 413 N HIS A 26 79.810 74.490 48.080 1.00 0.00 N ATOM 414 CA HIS A 26 80.450 73.300 48.550 1.00 0.00 C ATOM 415 C HIS A 26 81.650 72.890 47.750 1.00 0.00 C ATOM 416 O HIS A 26 82.630 72.490 48.350 1.00 0.00 O ATOM 417 CB HIS A 26 79.450 72.180 48.590 1.00 0.00 C ATOM 418 CG HIS A 26 78.380 72.360 49.620 1.00 0.00 C ATOM 419 ND1 HIS A 26 77.320 73.240 49.480 1.00 0.00 N ATOM 420 CD2 HIS A 26 78.240 71.720 50.830 1.00 0.00 C ATOM 421 CE1 HIS A 26 76.560 73.120 50.560 1.00 0.00 C ATOM 422 NE2 HIS A 26 77.030 72.130 51.330 1.00 0.00 N ATOM 0 H HIS A 26 78.962 74.337 47.534 1.00 0.00 H new ATOM 0 HA HIS A 26 80.824 73.524 49.549 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.984 72.086 47.609 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.974 71.244 48.785 1.00 0.00 H new ATOM 0 HD1 HIS A 26 77.154 73.865 48.691 1.00 0.00 H new ATOM 0 HD2 HIS A 26 78.938 71.037 51.291 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.695 73.727 50.784 1.00 0.00 H new ATOM 430 N GLU A 27 81.610 73.010 46.430 1.00 0.00 N ATOM 431 CA GLU A 27 82.690 72.720 45.490 1.00 0.00 C ATOM 432 C GLU A 27 83.830 73.590 45.800 1.00 0.00 C ATOM 433 O GLU A 27 84.960 73.130 45.860 1.00 0.00 O ATOM 434 CB GLU A 27 82.310 72.860 44.020 1.00 0.00 C ATOM 435 CG GLU A 27 83.420 72.370 43.090 1.00 0.00 C ATOM 436 CD GLU A 27 82.950 72.400 41.640 1.00 0.00 C ATOM 437 OE1 GLU A 27 83.150 73.440 41.000 1.00 0.00 O ATOM 438 OE2 GLU A 27 82.560 71.330 41.100 1.00 0.00 O ATOM 0 H GLU A 27 80.768 73.334 45.954 1.00 0.00 H new ATOM 0 HA GLU A 27 82.942 71.668 45.620 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.399 72.294 43.826 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.089 73.905 43.801 1.00 0.00 H new ATOM 0 HG2 GLU A 27 84.304 72.998 43.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 83.711 71.356 43.364 1.00 0.00 H new ATOM 445 N PHE A 28 83.550 74.850 46.070 1.00 0.00 N ATOM 446 CA PHE A 28 84.460 75.870 46.420 1.00 0.00 C ATOM 447 C PHE A 28 85.300 75.500 47.600 1.00 0.00 C ATOM 448 O PHE A 28 86.500 75.710 47.580 1.00 0.00 O ATOM 449 CB PHE A 28 83.640 77.130 46.660 1.00 0.00 C ATOM 450 CG PHE A 28 84.440 78.300 47.160 1.00 0.00 C ATOM 451 CD1 PHE A 28 85.220 78.210 48.330 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.470 79.490 46.450 1.00 0.00 C ATOM 453 CE1 PHE A 28 86.040 79.240 48.750 1.00 0.00 C ATOM 454 CE2 PHE A 28 85.260 80.560 46.880 1.00 0.00 C ATOM 455 CZ PHE A 28 86.050 80.430 48.030 1.00 0.00 C ATOM 0 H PHE A 28 82.590 75.194 46.041 1.00 0.00 H new ATOM 0 HA PHE A 28 85.176 76.034 45.615 1.00 0.00 H new ATOM 0 HB2 PHE A 28 83.147 77.412 45.729 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.854 76.907 47.382 1.00 0.00 H new ATOM 0 HD1 PHE A 28 85.176 77.305 48.918 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.876 79.592 45.554 1.00 0.00 H new ATOM 0 HE1 PHE A 28 86.664 79.123 49.624 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.261 81.487 46.326 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.667 81.254 48.357 1.00 0.00 H new ATOM 465 N SER A 29 84.580 75.190 48.690 1.00 0.00 N ATOM 466 CA SER A 29 85.160 74.960 49.970 1.00 0.00 C ATOM 467 C SER A 29 86.070 73.810 49.880 1.00 0.00 C ATOM 468 O SER A 29 87.190 73.890 50.360 1.00 0.00 O ATOM 469 CB SER A 29 84.110 74.740 51.050 1.00 0.00 C ATOM 470 OG SER A 29 83.490 73.490 50.880 1.00 0.00 O ATOM 0 H SER A 29 83.564 75.097 48.679 1.00 0.00 H new ATOM 0 HA SER A 29 85.716 75.851 50.262 1.00 0.00 H new ATOM 0 HB2 SER A 29 84.575 74.792 52.035 1.00 0.00 H new ATOM 0 HB3 SER A 29 83.363 75.533 51.008 1.00 0.00 H new ATOM 0 HG SER A 29 83.166 73.408 49.959 1.00 0.00 H new ATOM 476 N GLU A 30 85.530 72.750 49.220 1.00 0.00 N ATOM 477 CA GLU A 30 86.170 71.480 49.080 1.00 0.00 C ATOM 478 C GLU A 30 87.370 71.450 48.130 1.00 0.00 C ATOM 479 O GLU A 30 88.410 70.840 48.330 1.00 0.00 O ATOM 480 CB GLU A 30 85.090 70.540 48.600 1.00 0.00 C ATOM 481 CG GLU A 30 84.070 70.190 49.660 1.00 0.00 C ATOM 482 CD GLU A 30 83.010 69.260 49.130 1.00 0.00 C ATOM 483 OE1 GLU A 30 83.190 68.560 48.190 1.00 0.00 O ATOM 484 OE2 GLU A 30 82.190 68.920 50.060 1.00 0.00 O ATOM 0 H GLU A 30 84.615 72.790 48.772 1.00 0.00 H new ATOM 0 HA GLU A 30 86.603 71.198 50.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.577 70.993 47.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.554 69.622 48.239 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.572 69.724 50.508 1.00 0.00 H new ATOM 0 HG3 GLU A 30 83.602 71.102 50.029 1.00 0.00 H new ATOM 491 N ASP A 31 87.180 72.070 46.960 1.00 0.00 N ATOM 492 CA ASP A 31 88.070 71.920 45.830 1.00 0.00 C ATOM 493 C ASP A 31 88.120 73.170 44.850 1.00 0.00 C ATOM 494 O ASP A 31 87.220 74.020 44.810 1.00 0.00 O ATOM 495 CB ASP A 31 87.740 70.690 45.080 1.00 0.00 C ATOM 496 CG ASP A 31 88.940 70.230 44.410 1.00 0.00 C ATOM 497 OD1 ASP A 31 90.050 70.960 44.370 1.00 0.00 O ATOM 498 OD2 ASP A 31 88.820 69.170 43.880 1.00 0.00 O ATOM 0 H ASP A 31 86.393 72.694 46.781 1.00 0.00 H new ATOM 0 HA ASP A 31 89.071 71.848 46.255 1.00 0.00 H new ATOM 0 HB2 ASP A 31 87.365 69.922 45.756 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.952 70.888 44.354 1.00 0.00 H new ATOM 503 N LYS A 32 89.210 73.410 44.140 1.00 0.00 N ATOM 504 CA LYS A 32 89.440 74.480 43.110 1.00 0.00 C ATOM 505 C LYS A 32 89.150 74.010 41.640 1.00 0.00 C ATOM 506 O LYS A 32 89.850 73.180 41.100 1.00 0.00 O ATOM 507 CB LYS A 32 90.890 74.940 43.240 1.00 0.00 C ATOM 508 CG LYS A 32 91.170 75.570 44.610 1.00 0.00 C ATOM 509 CD LYS A 32 92.630 76.000 44.730 1.00 0.00 C ATOM 510 CE LYS A 32 92.910 76.650 46.080 1.00 0.00 C ATOM 511 NZ LYS A 32 94.330 77.060 46.170 1.00 0.00 N ATOM 0 H LYS A 32 90.040 72.830 44.258 1.00 0.00 H new ATOM 0 HA LYS A 32 88.739 75.293 43.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 91.555 74.090 43.089 1.00 0.00 H new ATOM 0 HB3 LYS A 32 91.113 75.663 42.456 1.00 0.00 H new ATOM 0 HG2 LYS A 32 90.520 76.433 44.756 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.932 74.855 45.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 93.278 75.133 44.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 92.871 76.700 43.930 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.265 77.518 46.214 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.675 75.952 46.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.506 77.501 47.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.940 76.224 46.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.543 77.743 45.415 1.00 0.00 H new ATOM 525 N ARG A 33 88.060 74.440 40.970 1.00 0.00 N ATOM 526 CA ARG A 33 87.300 73.430 40.230 1.00 0.00 C ATOM 527 C ARG A 33 86.310 74.190 39.390 1.00 0.00 C ATOM 528 O ARG A 33 86.300 75.420 39.400 1.00 0.00 O ATOM 529 CB ARG A 33 86.560 72.490 41.190 1.00 0.00 C ATOM 530 CG ARG A 33 85.920 71.310 40.450 1.00 0.00 C ATOM 531 CD ARG A 33 86.970 70.430 39.800 1.00 0.00 C ATOM 532 NE ARG A 33 87.730 69.730 40.840 1.00 0.00 N ATOM 533 CZ ARG A 33 88.800 69.010 40.550 1.00 0.00 C ATOM 534 NH1 ARG A 33 89.080 68.810 39.460 1.00 0.00 N ATOM 535 NH2 ARG A 33 89.570 68.450 41.430 1.00 0.00 N ATOM 0 H ARG A 33 87.713 75.398 40.928 1.00 0.00 H new ATOM 0 HA ARG A 33 87.960 72.812 39.622 1.00 0.00 H new ATOM 0 HB2 ARG A 33 87.256 72.114 41.940 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.789 73.047 41.722 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.329 70.718 41.148 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.235 71.684 39.689 1.00 0.00 H new ATOM 0 HD2 ARG A 33 86.495 69.710 39.134 1.00 0.00 H new ATOM 0 HD3 ARG A 33 87.640 71.035 39.189 1.00 0.00 H new ATOM 0 HE ARG A 33 87.426 69.800 41.811 1.00 0.00 H new ATOM 0 HH11 ARG A 33 88.504 69.187 38.708 1.00 0.00 H new ATOM 0 HH12 ARG A 33 89.906 68.254 39.239 1.00 0.00 H new ATOM 0 HH21 ARG A 33 89.366 68.551 42.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 90.380 67.908 41.128 1.00 0.00 H new ATOM 549 N SER A 34 85.460 73.640 38.630 1.00 0.00 N ATOM 550 CA SER A 34 84.900 74.300 37.500 1.00 0.00 C ATOM 551 C SER A 34 83.770 73.400 37.180 1.00 0.00 C ATOM 552 O SER A 34 83.740 72.260 37.680 1.00 0.00 O ATOM 553 CB SER A 34 85.840 74.550 36.330 1.00 0.00 C ATOM 554 OG SER A 34 85.180 75.270 35.360 1.00 0.00 O ATOM 0 H SER A 34 85.114 72.690 38.768 1.00 0.00 H new ATOM 0 HA SER A 34 84.619 75.330 37.717 1.00 0.00 H new ATOM 0 HB2 SER A 34 86.721 75.096 36.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.189 73.602 35.921 1.00 0.00 H new ATOM 0 HG SER A 34 85.617 75.129 34.494 1.00 0.00 H new ATOM 560 N ILE A 35 82.810 73.850 36.450 1.00 0.00 N ATOM 561 CA ILE A 35 81.650 73.070 36.100 1.00 0.00 C ATOM 562 C ILE A 35 81.240 73.500 34.740 1.00 0.00 C ATOM 563 O ILE A 35 81.740 74.490 34.200 1.00 0.00 O ATOM 564 CB ILE A 35 80.510 73.250 37.110 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.060 74.710 37.170 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.960 72.800 38.490 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.790 74.880 37.990 1.00 0.00 C ATOM 0 H ILE A 35 82.799 74.794 36.064 1.00 0.00 H new ATOM 0 HA ILE A 35 81.891 72.007 36.117 1.00 0.00 H new ATOM 0 HB ILE A 35 79.669 72.639 36.784 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.855 75.317 37.603 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.891 75.079 36.159 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.143 72.932 39.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.244 71.748 38.455 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.816 73.397 38.806 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.506 75.932 38.007 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.987 74.294 37.543 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.966 74.536 39.009 1.00 0.00 H new ATOM 579 N PHE A 36 80.310 72.770 34.180 1.00 0.00 N ATOM 580 CA PHE A 36 79.550 73.060 32.980 1.00 0.00 C ATOM 581 C PHE A 36 78.070 72.980 33.450 1.00 0.00 C ATOM 582 O PHE A 36 77.630 71.930 33.930 1.00 0.00 O ATOM 583 CB PHE A 36 79.850 72.040 31.890 1.00 0.00 C ATOM 584 CG PHE A 36 81.330 71.800 31.650 1.00 0.00 C ATOM 585 CD1 PHE A 36 82.100 72.670 30.880 1.00 0.00 C ATOM 586 CD2 PHE A 36 81.970 70.710 32.240 1.00 0.00 C ATOM 587 CE1 PHE A 36 83.450 72.470 30.650 1.00 0.00 C ATOM 588 CE2 PHE A 36 83.340 70.510 32.040 1.00 0.00 C ATOM 589 CZ PHE A 36 84.070 71.390 31.240 1.00 0.00 C ATOM 0 H PHE A 36 80.037 71.875 34.586 1.00 0.00 H new ATOM 0 HA PHE A 36 79.793 74.029 32.544 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.378 71.094 32.154 1.00 0.00 H new ATOM 0 HB3 PHE A 36 79.392 72.375 30.959 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.623 73.536 30.445 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.407 70.020 32.852 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.007 73.148 30.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 83.835 69.671 32.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.125 71.224 31.083 1.00 0.00 H new ATOM 599 N TYR A 37 77.290 74.030 33.370 1.00 0.00 N ATOM 600 CA TYR A 37 75.810 73.920 33.500 1.00 0.00 C ATOM 601 C TYR A 37 74.960 73.640 32.160 1.00 0.00 C ATOM 602 O TYR A 37 74.830 74.470 31.260 1.00 0.00 O ATOM 603 CB TYR A 37 75.310 75.180 34.160 1.00 0.00 C ATOM 604 CG TYR A 37 73.860 75.180 34.550 1.00 0.00 C ATOM 605 CD1 TYR A 37 73.080 74.060 34.320 1.00 0.00 C ATOM 606 CD2 TYR A 37 73.270 76.290 35.140 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.750 73.980 34.670 1.00 0.00 C ATOM 608 CE2 TYR A 37 71.910 76.250 35.500 1.00 0.00 C ATOM 609 CZ TYR A 37 71.160 75.090 35.260 1.00 0.00 C ATOM 610 OH TYR A 37 69.840 75.030 35.630 1.00 0.00 O ATOM 0 H TYR A 37 77.629 74.980 33.216 1.00 0.00 H new ATOM 0 HA TYR A 37 75.645 73.018 34.090 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.907 75.362 35.053 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.485 76.017 33.484 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.537 73.206 33.842 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.853 77.181 35.322 1.00 0.00 H new ATOM 0 HE1 TYR A 37 71.182 73.079 34.491 1.00 0.00 H new ATOM 0 HE2 TYR A 37 71.446 77.110 35.960 1.00 0.00 H new ATOM 0 HH TYR A 37 69.573 75.884 36.030 1.00 0.00 H new ATOM 620 N PHE A 38 74.320 72.500 32.080 1.00 0.00 N ATOM 621 CA PHE A 38 73.440 72.000 31.010 1.00 0.00 C ATOM 622 C PHE A 38 71.970 72.360 31.290 1.00 0.00 C ATOM 623 O PHE A 38 71.250 71.700 32.050 1.00 0.00 O ATOM 624 CB PHE A 38 73.600 70.510 30.880 1.00 0.00 C ATOM 625 CG PHE A 38 74.990 70.080 30.500 1.00 0.00 C ATOM 626 CD1 PHE A 38 75.970 69.900 31.490 1.00 0.00 C ATOM 627 CD2 PHE A 38 75.310 69.890 29.150 1.00 0.00 C ATOM 628 CE1 PHE A 38 77.270 69.520 31.120 1.00 0.00 C ATOM 629 CE2 PHE A 38 76.620 69.510 28.790 1.00 0.00 C ATOM 630 CZ PHE A 38 77.590 69.320 29.780 1.00 0.00 C ATOM 0 H PHE A 38 74.400 71.816 32.833 1.00 0.00 H new ATOM 0 HA PHE A 38 73.727 72.476 30.072 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.331 70.041 31.826 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.898 70.143 30.131 1.00 0.00 H new ATOM 0 HD1 PHE A 38 75.725 70.053 32.531 1.00 0.00 H new ATOM 0 HD2 PHE A 38 74.558 70.034 28.388 1.00 0.00 H new ATOM 0 HE1 PHE A 38 78.026 69.382 31.879 1.00 0.00 H new ATOM 0 HE2 PHE A 38 76.874 69.366 27.750 1.00 0.00 H new ATOM 0 HZ PHE A 38 78.589 69.017 29.504 1.00 0.00 H new ATOM 640 N ALA A 39 71.570 73.420 30.660 1.00 0.00 N ATOM 641 CA ALA A 39 70.290 74.090 30.850 1.00 0.00 C ATOM 642 C ALA A 39 69.740 74.530 29.540 1.00 0.00 C ATOM 643 O ALA A 39 70.530 74.830 28.660 1.00 0.00 O ATOM 644 CB ALA A 39 70.370 75.240 31.830 1.00 0.00 C ATOM 0 H ALA A 39 72.149 73.879 29.957 1.00 0.00 H new ATOM 0 HA ALA A 39 69.607 73.365 31.292 1.00 0.00 H new ATOM 0 HB1 ALA A 39 69.387 75.701 31.931 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.698 74.869 32.801 1.00 0.00 H new ATOM 0 HB3 ALA A 39 71.082 75.980 31.465 1.00 0.00 H new ATOM 650 N PRO A 40 68.390 74.500 29.410 1.00 0.00 N ATOM 651 CA PRO A 40 67.890 73.660 28.330 1.00 0.00 C ATOM 652 C PRO A 40 68.210 74.240 26.980 1.00 0.00 C ATOM 653 O PRO A 40 68.190 75.450 26.830 1.00 0.00 O ATOM 654 CB PRO A 40 66.380 73.600 28.560 1.00 0.00 C ATOM 655 CG PRO A 40 66.050 74.910 29.250 1.00 0.00 C ATOM 656 CD PRO A 40 67.230 75.100 30.200 1.00 0.00 C ATOM 0 HA PRO A 40 68.352 72.673 28.336 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.839 73.499 27.619 1.00 0.00 H new ATOM 0 HB3 PRO A 40 66.106 72.745 29.179 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.967 75.732 28.539 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.103 74.857 29.787 1.00 0.00 H new ATOM 0 HD2 PRO A 40 67.398 76.151 30.433 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.075 74.585 31.148 1.00 0.00 H new ATOM 664 N THR A 41 68.350 73.310 25.990 1.00 0.00 N ATOM 665 CA THR A 41 68.300 73.760 24.620 1.00 0.00 C ATOM 666 C THR A 41 67.010 74.330 24.220 1.00 0.00 C ATOM 667 O THR A 41 67.050 75.350 23.560 1.00 0.00 O ATOM 668 CB THR A 41 68.630 72.590 23.700 1.00 0.00 C ATOM 669 OG1 THR A 41 69.920 72.150 23.980 1.00 0.00 O ATOM 670 CG2 THR A 41 68.520 72.970 22.240 1.00 0.00 C ATOM 0 H THR A 41 68.489 72.309 26.128 1.00 0.00 H new ATOM 0 HA THR A 41 69.032 74.563 24.535 1.00 0.00 H new ATOM 0 HB THR A 41 67.907 71.794 23.882 1.00 0.00 H new ATOM 0 HG1 THR A 41 70.563 72.660 23.444 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.763 72.107 21.620 1.00 0.00 H new ATOM 0 HG22 THR A 41 67.502 73.296 22.025 1.00 0.00 H new ATOM 0 HG23 THR A 41 69.215 73.781 22.022 1.00 0.00 H new ATOM 678 N ASN A 42 65.910 73.630 24.610 1.00 0.00 N ATOM 679 CA ASN A 42 64.500 73.780 24.330 1.00 0.00 C ATOM 680 C ASN A 42 63.830 75.010 24.910 1.00 0.00 C ATOM 681 O ASN A 42 63.220 75.700 24.210 1.00 0.00 O ATOM 682 CB ASN A 42 63.790 72.520 24.820 1.00 0.00 C ATOM 683 CG ASN A 42 64.240 71.320 24.010 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.790 71.440 22.930 1.00 0.00 O ATOM 685 ND2 ASN A 42 64.090 70.130 24.540 1.00 0.00 N ATOM 0 H ASN A 42 66.044 72.827 25.224 1.00 0.00 H new ATOM 0 HA ASN A 42 64.418 73.921 23.252 1.00 0.00 H new ATOM 0 HB2 ASN A 42 64.007 72.358 25.876 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.711 72.644 24.732 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.434 69.305 24.048 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.629 70.029 25.444 1.00 0.00 H new ATOM 692 N ALA A 43 64.010 75.440 26.190 1.00 0.00 N ATOM 693 CA ALA A 43 63.360 76.690 26.600 1.00 0.00 C ATOM 694 C ALA A 43 64.260 77.930 26.600 1.00 0.00 C ATOM 695 O ALA A 43 63.830 79.040 26.360 1.00 0.00 O ATOM 696 CB ALA A 43 62.750 76.430 27.980 1.00 0.00 C ATOM 0 H ALA A 43 64.564 74.968 26.905 1.00 0.00 H new ATOM 0 HA ALA A 43 62.604 76.944 25.856 1.00 0.00 H new ATOM 0 HB1 ALA A 43 62.252 77.333 28.333 1.00 0.00 H new ATOM 0 HB2 ALA A 43 62.025 75.619 27.910 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.538 76.153 28.680 1.00 0.00 H new ATOM 702 N HIS A 44 65.520 77.730 26.960 1.00 0.00 N ATOM 703 CA HIS A 44 66.540 78.700 27.290 1.00 0.00 C ATOM 704 C HIS A 44 66.170 79.450 28.560 1.00 0.00 C ATOM 705 O HIS A 44 66.590 80.580 28.740 1.00 0.00 O ATOM 706 CB HIS A 44 66.790 79.640 26.110 1.00 0.00 C ATOM 707 CG HIS A 44 67.240 78.920 24.870 1.00 0.00 C ATOM 708 ND1 HIS A 44 66.700 78.960 23.620 1.00 0.00 N flip ATOM 709 CD2 HIS A 44 68.340 78.100 24.820 1.00 0.00 C flip ATOM 710 CE1 HIS A 44 67.470 78.160 22.820 1.00 0.00 C flip ATOM 711 NE2 HIS A 44 68.450 77.650 23.570 1.00 0.00 N flip ATOM 0 H HIS A 44 65.885 76.781 27.034 1.00 0.00 H new ATOM 0 HA HIS A 44 67.477 78.179 27.486 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.875 80.191 25.892 1.00 0.00 H new ATOM 0 HB3 HIS A 44 67.545 80.374 26.391 1.00 0.00 H new ATOM 0 HD1 HIS A 44 65.875 79.488 23.334 1.00 0.00 H new ATOM 0 HD2 HIS A 44 68.997 77.863 25.644 1.00 0.00 H new ATOM 0 HE1 HIS A 44 67.313 77.974 21.768 1.00 0.00 H new ATOM 719 N LYS A 45 65.330 78.830 29.440 1.00 0.00 N ATOM 720 CA LYS A 45 64.780 79.570 30.590 1.00 0.00 C ATOM 721 C LYS A 45 65.680 79.330 31.810 1.00 0.00 C ATOM 722 O LYS A 45 66.100 80.260 32.470 1.00 0.00 O ATOM 723 CB LYS A 45 63.330 79.170 30.920 1.00 0.00 C ATOM 724 CG LYS A 45 62.360 79.540 29.810 1.00 0.00 C ATOM 725 CD LYS A 45 60.930 79.110 30.160 1.00 0.00 C ATOM 726 CE LYS A 45 59.950 79.520 29.070 1.00 0.00 C ATOM 727 NZ LYS A 45 58.580 79.280 29.440 1.00 0.00 N ATOM 0 H LYS A 45 65.034 77.856 29.371 1.00 0.00 H new ATOM 0 HA LYS A 45 64.759 80.627 30.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 63.284 78.095 31.096 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.023 79.658 31.845 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.388 80.617 29.642 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.669 79.064 28.879 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.895 78.029 30.296 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.634 79.560 31.107 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.082 80.579 28.847 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.178 78.971 28.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.954 79.576 28.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.444 78.266 29.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.351 79.824 30.296 1.00 0.00 H new ATOM 741 N ASP A 46 65.930 78.010 32.060 1.00 0.00 N ATOM 742 CA ASP A 46 66.750 77.590 33.210 1.00 0.00 C ATOM 743 C ASP A 46 68.150 78.210 33.010 1.00 0.00 C ATOM 744 O ASP A 46 68.730 78.740 33.940 1.00 0.00 O ATOM 745 CB ASP A 46 66.850 76.070 33.400 1.00 0.00 C ATOM 746 CG ASP A 46 65.580 75.420 33.760 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.780 76.280 34.350 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.400 74.230 33.640 1.00 0.00 O ATOM 0 H ASP A 46 65.579 77.243 31.487 1.00 0.00 H new ATOM 0 HA ASP A 46 66.268 77.942 34.122 1.00 0.00 H new ATOM 0 HB2 ASP A 46 67.224 75.624 32.478 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.585 75.860 34.177 1.00 0.00 H new ATOM 753 N MET A 47 68.630 78.260 31.800 1.00 0.00 N ATOM 754 CA MET A 47 69.960 78.830 31.510 1.00 0.00 C ATOM 755 C MET A 47 70.090 80.330 31.810 1.00 0.00 C ATOM 756 O MET A 47 71.060 80.760 32.410 1.00 0.00 O ATOM 757 CB MET A 47 70.290 78.570 30.050 1.00 0.00 C ATOM 758 CG MET A 47 71.660 79.090 29.680 1.00 0.00 C ATOM 759 SD MET A 47 71.960 78.630 27.980 1.00 0.00 S ATOM 760 CE MET A 47 70.890 79.890 27.180 1.00 0.00 C ATOM 0 H MET A 47 68.133 77.916 30.978 1.00 0.00 H new ATOM 0 HA MET A 47 70.665 78.336 32.179 1.00 0.00 H new ATOM 0 HB2 MET A 47 70.243 77.499 29.852 1.00 0.00 H new ATOM 0 HB3 MET A 47 69.539 79.044 29.418 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.705 80.173 29.799 1.00 0.00 H new ATOM 0 HG3 MET A 47 72.422 78.665 30.333 1.00 0.00 H new ATOM 0 HE1 MET A 47 71.259 80.095 26.175 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.868 79.516 27.122 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.907 80.808 27.767 1.00 0.00 H new ATOM 770 N LEU A 48 69.070 81.120 31.390 1.00 0.00 N ATOM 771 CA LEU A 48 69.080 82.570 31.660 1.00 0.00 C ATOM 772 C LEU A 48 69.030 82.800 33.170 1.00 0.00 C ATOM 773 O LEU A 48 69.680 83.700 33.690 1.00 0.00 O ATOM 774 CB LEU A 48 67.900 83.280 30.980 1.00 0.00 C ATOM 775 CG LEU A 48 67.990 83.250 29.450 1.00 0.00 C ATOM 776 CD1 LEU A 48 66.730 83.780 28.820 1.00 0.00 C ATOM 777 CD2 LEU A 48 69.190 84.030 28.960 1.00 0.00 C ATOM 0 H LEU A 48 68.254 80.785 30.878 1.00 0.00 H new ATOM 0 HA LEU A 48 69.998 82.991 31.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.969 82.809 31.294 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.862 84.316 31.317 1.00 0.00 H new ATOM 0 HG LEU A 48 68.110 82.209 29.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.824 83.746 27.735 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.883 83.168 29.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.569 84.810 29.138 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.229 83.992 27.871 1.00 0.00 H new ATOM 0 HD22 LEU A 48 69.107 85.067 29.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 70.100 83.594 29.371 1.00 0.00 H new ATOM 789 N LYS A 49 68.270 81.940 33.900 1.00 0.00 N ATOM 790 CA LYS A 49 68.250 81.960 35.340 1.00 0.00 C ATOM 791 C LYS A 49 69.600 81.620 35.970 1.00 0.00 C ATOM 792 O LYS A 49 69.940 82.180 37.000 1.00 0.00 O ATOM 793 CB LYS A 49 67.180 81.010 35.850 1.00 0.00 C ATOM 794 CG LYS A 49 65.780 81.550 35.550 1.00 0.00 C ATOM 795 CD LYS A 49 64.710 80.590 36.060 1.00 0.00 C ATOM 796 CE LYS A 49 63.310 81.130 35.780 1.00 0.00 C ATOM 797 NZ LYS A 49 62.290 80.190 36.320 1.00 0.00 N ATOM 0 H LYS A 49 67.668 81.229 33.486 1.00 0.00 H new ATOM 0 HA LYS A 49 68.021 82.983 35.639 1.00 0.00 H new ATOM 0 HB2 LYS A 49 67.304 80.032 35.384 1.00 0.00 H new ATOM 0 HB3 LYS A 49 67.297 80.868 36.924 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.653 82.526 36.019 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.663 81.695 34.476 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.831 79.618 35.582 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.836 80.436 37.132 1.00 0.00 H new ATOM 0 HE2 LYS A 49 63.191 82.112 36.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 63.168 81.259 34.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.338 80.562 36.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.398 79.261 35.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.420 80.089 37.347 1.00 0.00 H new ATOM 811 N ALA A 50 70.370 80.750 35.370 1.00 0.00 N ATOM 812 CA ALA A 50 71.730 80.470 35.850 1.00 0.00 C ATOM 813 C ALA A 50 72.630 81.700 35.880 1.00 0.00 C ATOM 814 O ALA A 50 73.360 81.900 36.860 1.00 0.00 O ATOM 815 CB ALA A 50 72.340 79.420 34.960 1.00 0.00 C ATOM 0 H ALA A 50 70.093 80.215 34.547 1.00 0.00 H new ATOM 0 HA ALA A 50 71.650 80.126 36.881 1.00 0.00 H new ATOM 0 HB1 ALA A 50 73.351 79.198 35.300 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.736 78.513 35.000 1.00 0.00 H new ATOM 0 HB3 ALA A 50 72.375 79.788 33.934 1.00 0.00 H new ATOM 821 N VAL A 51 72.600 82.500 34.850 1.00 0.00 N ATOM 822 CA VAL A 51 73.410 83.730 34.770 1.00 0.00 C ATOM 823 C VAL A 51 73.010 84.640 35.930 1.00 0.00 C ATOM 824 O VAL A 51 73.880 85.190 36.600 1.00 0.00 O ATOM 825 CB VAL A 51 73.230 84.460 33.440 1.00 0.00 C ATOM 826 CG1 VAL A 51 74.000 85.770 33.460 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.720 83.620 32.270 1.00 0.00 C ATOM 0 H VAL A 51 72.018 82.335 34.029 1.00 0.00 H new ATOM 0 HA VAL A 51 74.464 83.458 34.835 1.00 0.00 H new ATOM 0 HB VAL A 51 72.164 84.649 33.311 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.867 86.285 32.508 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.627 86.399 34.268 1.00 0.00 H new ATOM 0 HG13 VAL A 51 75.059 85.567 33.618 1.00 0.00 H new ATOM 0 HG21 VAL A 51 73.576 84.171 31.341 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.779 83.398 32.400 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.156 82.688 32.230 1.00 0.00 H new ATOM 837 N ASP A 52 71.680 84.790 36.180 1.00 0.00 N ATOM 838 CA ASP A 52 71.230 85.610 37.310 1.00 0.00 C ATOM 839 C ASP A 52 71.700 85.040 38.670 1.00 0.00 C ATOM 840 O ASP A 52 72.200 85.780 39.490 1.00 0.00 O ATOM 841 CB ASP A 52 69.710 85.750 37.290 1.00 0.00 C ATOM 842 CG ASP A 52 69.260 86.600 36.130 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.210 87.250 35.490 1.00 0.00 O ATOM 844 OD2 ASP A 52 68.100 86.600 35.790 1.00 0.00 O ATOM 0 H ASP A 52 70.934 84.366 35.629 1.00 0.00 H new ATOM 0 HA ASP A 52 71.684 86.595 37.198 1.00 0.00 H new ATOM 0 HB2 ASP A 52 69.251 84.763 37.222 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.370 86.195 38.225 1.00 0.00 H new ATOM 849 N PHE A 53 71.630 83.730 38.850 1.00 0.00 N ATOM 850 CA PHE A 53 72.020 83.090 40.140 1.00 0.00 C ATOM 851 C PHE A 53 73.480 83.290 40.430 1.00 0.00 C ATOM 852 O PHE A 53 73.840 83.590 41.570 1.00 0.00 O ATOM 853 CB PHE A 53 71.710 81.590 40.120 1.00 0.00 C ATOM 854 CG PHE A 53 70.260 81.290 40.030 1.00 0.00 C ATOM 855 CD1 PHE A 53 69.350 82.200 40.590 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.780 80.150 39.370 1.00 0.00 C ATOM 857 CE1 PHE A 53 68.060 82.020 40.370 1.00 0.00 C ATOM 858 CE2 PHE A 53 68.420 79.890 39.280 1.00 0.00 C ATOM 859 CZ PHE A 53 67.520 80.820 39.770 1.00 0.00 C ATOM 0 H PHE A 53 71.311 83.075 38.136 1.00 0.00 H new ATOM 0 HA PHE A 53 71.436 83.569 40.926 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.222 81.132 39.274 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.113 81.131 41.023 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.697 83.030 41.188 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.482 79.461 38.923 1.00 0.00 H new ATOM 0 HE1 PHE A 53 67.376 82.807 40.652 1.00 0.00 H new ATOM 0 HE2 PHE A 53 68.068 78.972 38.833 1.00 0.00 H new ATOM 0 HZ PHE A 53 66.454 80.656 39.707 1.00 0.00 H new ATOM 869 N PHE A 54 74.300 83.110 39.370 1.00 0.00 N ATOM 870 CA PHE A 54 75.730 83.150 39.610 1.00 0.00 C ATOM 871 C PHE A 54 76.170 84.560 40.060 1.00 0.00 C ATOM 872 O PHE A 54 76.990 84.720 40.950 1.00 0.00 O ATOM 873 CB PHE A 54 76.490 82.760 38.370 1.00 0.00 C ATOM 874 CG PHE A 54 76.420 81.300 38.020 1.00 0.00 C ATOM 875 CD1 PHE A 54 76.500 80.330 38.970 1.00 0.00 C ATOM 876 CD2 PHE A 54 76.160 80.890 36.720 1.00 0.00 C ATOM 877 CE1 PHE A 54 76.370 78.970 38.640 1.00 0.00 C ATOM 878 CE2 PHE A 54 76.040 79.540 36.340 1.00 0.00 C ATOM 879 CZ PHE A 54 76.180 78.580 37.320 1.00 0.00 C ATOM 0 H PHE A 54 74.008 82.947 38.407 1.00 0.00 H new ATOM 0 HA PHE A 54 75.953 82.437 40.404 1.00 0.00 H new ATOM 0 HB2 PHE A 54 76.108 83.339 37.530 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.536 83.038 38.499 1.00 0.00 H new ATOM 0 HD1 PHE A 54 76.667 80.611 39.999 1.00 0.00 H new ATOM 0 HD2 PHE A 54 76.043 81.647 35.959 1.00 0.00 H new ATOM 0 HE1 PHE A 54 76.418 78.223 39.418 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.845 79.265 35.314 1.00 0.00 H new ATOM 0 HZ PHE A 54 76.142 77.532 37.063 1.00 0.00 H new ATOM 889 N LYS A 55 75.540 85.560 39.470 1.00 0.00 N ATOM 890 CA LYS A 55 75.780 86.970 39.890 1.00 0.00 C ATOM 891 C LYS A 55 75.400 87.170 41.370 1.00 0.00 C ATOM 892 O LYS A 55 76.140 87.810 42.110 1.00 0.00 O ATOM 893 CB LYS A 55 74.980 87.920 39.000 1.00 0.00 C ATOM 894 CG LYS A 55 75.480 87.890 37.550 1.00 0.00 C ATOM 895 CD LYS A 55 74.640 88.810 36.670 1.00 0.00 C ATOM 896 CE LYS A 55 75.140 88.780 35.230 1.00 0.00 C ATOM 897 NZ LYS A 55 74.310 89.680 34.400 1.00 0.00 N ATOM 0 H LYS A 55 74.867 85.449 38.711 1.00 0.00 H new ATOM 0 HA LYS A 55 76.842 87.192 39.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.926 87.645 39.028 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.055 88.935 39.390 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.525 88.199 37.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.435 86.871 37.166 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.595 88.501 36.704 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.683 89.829 37.054 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.184 89.091 35.190 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.095 87.763 34.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.651 89.659 33.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.320 89.364 34.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.375 90.650 34.769 1.00 0.00 H new ATOM 911 N GLU A 56 74.230 86.630 41.730 1.00 0.00 N ATOM 912 CA GLU A 56 73.640 86.870 43.060 1.00 0.00 C ATOM 913 C GLU A 56 74.510 86.380 44.190 1.00 0.00 C ATOM 914 O GLU A 56 74.550 87.080 45.180 1.00 0.00 O ATOM 915 CB GLU A 56 72.280 86.200 43.150 1.00 0.00 C ATOM 916 CG GLU A 56 71.270 86.910 42.260 1.00 0.00 C ATOM 917 CD GLU A 56 69.920 86.200 42.270 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.830 85.100 42.850 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.940 86.780 41.750 1.00 0.00 O ATOM 0 H GLU A 56 73.672 86.027 41.126 1.00 0.00 H new ATOM 0 HA GLU A 56 73.545 87.950 43.169 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.364 85.155 42.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.932 86.210 44.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.144 87.938 42.599 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.651 86.955 41.240 1.00 0.00 H new ATOM 926 N LYS A 57 75.170 85.250 44.030 1.00 0.00 N ATOM 927 CA LYS A 57 76.120 84.660 45.010 1.00 0.00 C ATOM 928 C LYS A 57 77.600 84.630 44.540 1.00 0.00 C ATOM 929 O LYS A 57 77.920 84.290 43.410 1.00 0.00 O ATOM 930 CB LYS A 57 75.610 83.260 45.350 1.00 0.00 C ATOM 931 CG LYS A 57 74.270 83.310 46.090 1.00 0.00 C ATOM 932 CD LYS A 57 73.760 81.890 46.370 1.00 0.00 C ATOM 933 CE LYS A 57 72.430 81.930 47.130 1.00 0.00 C ATOM 934 NZ LYS A 57 71.970 80.560 47.410 1.00 0.00 N ATOM 0 H LYS A 57 75.070 84.681 43.190 1.00 0.00 H new ATOM 0 HA LYS A 57 76.143 85.302 45.891 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.498 82.681 44.433 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.347 82.744 45.966 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.385 83.853 47.028 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.538 83.855 45.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.631 81.353 45.430 1.00 0.00 H new ATOM 0 HD3 LYS A 57 74.500 81.341 46.952 1.00 0.00 H new ATOM 0 HE2 LYS A 57 72.551 82.480 48.063 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.681 82.461 46.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.984 80.454 47.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.570 79.881 46.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 72.031 80.375 48.432 1.00 0.00 H new ATOM 948 N GLY A 58 78.550 84.900 45.420 1.00 0.00 N ATOM 949 CA GLY A 58 79.960 85.270 45.140 1.00 0.00 C ATOM 950 C GLY A 58 80.970 84.100 45.070 1.00 0.00 C ATOM 951 O GLY A 58 82.180 84.320 45.110 1.00 0.00 O ATOM 0 H GLY A 58 78.361 84.869 46.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.992 85.808 44.192 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.292 85.964 45.912 1.00 0.00 H new ATOM 955 N HIS A 59 80.420 82.900 44.980 1.00 0.00 N ATOM 956 CA HIS A 59 81.050 81.580 45.100 1.00 0.00 C ATOM 957 C HIS A 59 82.080 81.490 43.980 1.00 0.00 C ATOM 958 O HIS A 59 83.000 80.720 44.090 1.00 0.00 O ATOM 959 CB HIS A 59 80.060 80.390 45.070 1.00 0.00 C ATOM 960 CG HIS A 59 78.940 80.440 46.100 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.130 80.280 47.460 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.600 80.610 45.900 1.00 0.00 C ATOM 963 CE1 HIS A 59 77.950 80.380 48.050 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.000 80.580 47.140 1.00 0.00 N ATOM 0 H HIS A 59 79.420 82.809 44.803 1.00 0.00 H new ATOM 0 HA HIS A 59 81.512 81.496 46.083 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.614 80.337 44.077 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.623 79.468 45.216 1.00 0.00 H new ATOM 0 HD1 HIS A 59 80.022 80.114 47.926 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.104 80.743 44.950 1.00 0.00 H new ATOM 0 HE1 HIS A 59 77.782 80.310 49.115 1.00 0.00 H new ATOM 972 N THR A 60 81.920 82.230 42.880 1.00 0.00 N ATOM 973 CA THR A 60 82.120 81.700 41.540 1.00 0.00 C ATOM 974 C THR A 60 83.640 81.670 41.370 1.00 0.00 C ATOM 975 O THR A 60 84.450 81.610 42.280 1.00 0.00 O ATOM 976 CB THR A 60 81.460 82.550 40.410 1.00 0.00 C ATOM 977 OG1 THR A 60 82.080 83.810 40.310 1.00 0.00 O ATOM 978 CG2 THR A 60 80.010 82.850 40.660 1.00 0.00 C ATOM 0 H THR A 60 81.648 83.213 42.899 1.00 0.00 H new ATOM 0 HA THR A 60 81.645 80.724 41.446 1.00 0.00 H new ATOM 0 HB THR A 60 81.572 81.946 39.510 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.654 84.328 39.595 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.614 83.444 39.836 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.453 81.916 40.735 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.909 83.408 41.591 1.00 0.00 H new ATOM 986 N ALA A 61 84.170 81.830 40.210 1.00 0.00 N ATOM 987 CA ALA A 61 85.080 82.890 39.860 1.00 0.00 C ATOM 988 C ALA A 61 84.570 83.640 38.630 1.00 0.00 C ATOM 989 O ALA A 61 84.560 84.870 38.630 1.00 0.00 O ATOM 990 CB ALA A 61 86.450 82.310 39.590 1.00 0.00 C ATOM 0 H ALA A 61 83.978 81.199 39.432 1.00 0.00 H new ATOM 0 HA ALA A 61 85.147 83.594 40.689 1.00 0.00 H new ATOM 0 HB1 ALA A 61 87.139 83.112 39.325 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.812 81.801 40.483 1.00 0.00 H new ATOM 0 HB3 ALA A 61 86.388 81.598 38.767 1.00 0.00 H new ATOM 996 N TYR A 62 84.120 82.870 37.630 1.00 0.00 N ATOM 997 CA TYR A 62 83.620 83.420 36.350 1.00 0.00 C ATOM 998 C TYR A 62 82.490 82.610 35.760 1.00 0.00 C ATOM 999 O TYR A 62 82.420 81.410 36.010 1.00 0.00 O ATOM 1000 CB TYR A 62 84.770 83.510 35.350 1.00 0.00 C ATOM 1001 CG TYR A 62 85.760 84.590 35.700 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.530 85.910 35.300 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.890 84.300 36.440 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.450 86.920 35.640 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.810 85.280 36.800 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.600 86.600 36.380 1.00 0.00 C ATOM 1007 OH TYR A 62 88.470 87.590 36.730 1.00 0.00 O ATOM 0 H TYR A 62 84.090 81.852 37.679 1.00 0.00 H new ATOM 0 HA TYR A 62 83.220 84.411 36.561 1.00 0.00 H new ATOM 0 HB2 TYR A 62 85.285 82.550 35.307 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.367 83.700 34.355 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.646 86.155 34.730 1.00 0.00 H new ATOM 0 HD2 TYR A 62 87.065 83.280 36.749 1.00 0.00 H new ATOM 0 HE1 TYR A 62 86.272 87.940 35.332 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.675 85.026 37.395 1.00 0.00 H new ATOM 0 HH TYR A 62 89.214 87.207 37.240 1.00 0.00 H new ATOM 1017 N LEU A 63 81.620 83.200 34.900 1.00 0.00 N ATOM 1018 CA LEU A 63 80.870 82.410 33.950 1.00 0.00 C ATOM 1019 C LEU A 63 80.830 82.910 32.500 1.00 0.00 C ATOM 1020 O LEU A 63 80.480 84.050 32.250 1.00 0.00 O ATOM 1021 CB LEU A 63 79.470 82.290 34.500 1.00 0.00 C ATOM 1022 CG LEU A 63 78.570 81.490 33.560 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.310 81.170 34.240 1.00 0.00 C ATOM 1024 CD2 LEU A 63 78.140 82.310 32.370 1.00 0.00 C ATOM 0 H LEU A 63 81.438 84.203 34.862 1.00 0.00 H new ATOM 0 HA LEU A 63 81.392 81.458 33.858 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.501 81.806 35.476 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.050 83.284 34.650 1.00 0.00 H new ATOM 0 HG LEU A 63 79.143 80.612 33.261 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.669 80.599 33.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.518 80.579 35.132 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.806 82.093 34.525 1.00 0.00 H new ATOM 0 HD21 LEU A 63 77.501 81.707 31.724 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.588 83.185 32.712 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.020 82.631 31.812 1.00 0.00 H new ATOM 1036 N ASP A 64 80.970 81.960 31.520 1.00 0.00 N ATOM 1037 CA ASP A 64 80.840 82.330 30.110 1.00 0.00 C ATOM 1038 C ASP A 64 80.310 81.100 29.360 1.00 0.00 C ATOM 1039 O ASP A 64 80.310 80.010 29.900 1.00 0.00 O ATOM 1040 CB ASP A 64 82.180 82.740 29.510 1.00 0.00 C ATOM 1041 CG ASP A 64 82.040 83.410 28.160 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.790 83.520 27.740 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.990 83.870 27.550 1.00 0.00 O ATOM 0 H ASP A 64 81.165 80.974 31.692 1.00 0.00 H new ATOM 0 HA ASP A 64 80.165 83.181 30.022 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.687 83.418 30.196 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.812 81.858 29.408 1.00 0.00 H new ATOM 1048 N GLU A 65 79.770 81.190 28.180 1.00 0.00 N ATOM 1049 CA GLU A 65 79.210 80.120 27.390 1.00 0.00 C ATOM 1050 C GLU A 65 80.240 79.070 27.030 1.00 0.00 C ATOM 1051 O GLU A 65 81.410 79.320 27.060 1.00 0.00 O ATOM 1052 CB GLU A 65 78.570 80.710 26.140 1.00 0.00 C ATOM 1053 CG GLU A 65 77.350 81.580 26.480 1.00 0.00 C ATOM 1054 CD GLU A 65 76.660 82.090 25.210 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.080 81.720 24.100 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.680 82.860 25.320 1.00 0.00 O ATOM 0 H GLU A 65 79.702 82.088 27.701 1.00 0.00 H new ATOM 0 HA GLU A 65 78.453 79.611 27.987 1.00 0.00 H new ATOM 0 HB2 GLU A 65 79.306 81.309 25.603 1.00 0.00 H new ATOM 0 HB3 GLU A 65 78.267 79.904 25.472 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.642 81.002 27.074 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.663 82.426 27.092 1.00 0.00 H new ATOM 1063 N VAL A 66 79.780 77.900 26.550 1.00 0.00 N ATOM 1064 CA VAL A 66 80.560 77.230 25.550 1.00 0.00 C ATOM 1065 C VAL A 66 80.030 77.530 24.160 1.00 0.00 C ATOM 1066 O VAL A 66 78.850 77.350 23.890 1.00 0.00 O ATOM 1067 CB VAL A 66 80.600 75.740 25.850 1.00 0.00 C ATOM 1068 CG1 VAL A 66 81.400 75.030 24.760 1.00 0.00 C ATOM 1069 CG2 VAL A 66 81.290 75.500 27.180 1.00 0.00 C ATOM 0 H VAL A 66 78.917 77.436 26.833 1.00 0.00 H new ATOM 0 HA VAL A 66 81.584 77.602 25.575 1.00 0.00 H new ATOM 0 HB VAL A 66 79.580 75.358 25.887 1.00 0.00 H new ATOM 0 HG11 VAL A 66 81.432 73.961 24.970 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.925 75.196 23.793 1.00 0.00 H new ATOM 0 HG13 VAL A 66 82.415 75.426 24.738 1.00 0.00 H new ATOM 0 HG21 VAL A 66 81.315 74.431 27.389 1.00 0.00 H new ATOM 0 HG22 VAL A 66 82.309 75.885 27.136 1.00 0.00 H new ATOM 0 HG23 VAL A 66 80.742 76.011 27.972 1.00 0.00 H new ATOM 1079 N ARG A 67 80.910 77.910 23.220 1.00 0.00 N ATOM 1080 CA ARG A 67 80.570 78.180 21.830 1.00 0.00 C ATOM 1081 C ARG A 67 80.660 76.850 21.120 1.00 0.00 C ATOM 1082 O ARG A 67 81.440 76.720 20.210 1.00 0.00 O ATOM 1083 CB ARG A 67 81.470 79.220 21.150 1.00 0.00 C ATOM 1084 CG ARG A 67 81.330 80.610 21.750 1.00 0.00 C ATOM 1085 CD ARG A 67 79.960 81.200 21.450 1.00 0.00 C ATOM 1086 NE ARG A 67 79.780 82.480 22.160 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.640 83.150 22.170 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.620 82.710 21.470 1.00 0.00 N ATOM 1089 NH2 ARG A 67 78.550 84.300 22.790 1.00 0.00 N ATOM 0 H ARG A 67 81.902 78.039 23.420 1.00 0.00 H new ATOM 0 HA ARG A 67 79.574 78.620 21.783 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.509 78.900 21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.228 79.263 20.088 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.480 80.561 22.828 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.106 81.262 21.350 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.852 81.355 20.377 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.182 80.498 21.751 1.00 0.00 H new ATOM 0 HE ARG A 67 80.574 82.868 22.669 1.00 0.00 H new ATOM 0 HH11 ARG A 67 77.709 81.855 20.922 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.739 83.224 21.475 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.363 84.686 23.270 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.667 84.810 22.793 1.00 0.00 H new ATOM 1103 N VAL A 68 79.920 75.880 21.580 1.00 0.00 N ATOM 1104 CA VAL A 68 79.040 74.990 20.830 1.00 0.00 C ATOM 1105 C VAL A 68 77.610 75.550 20.940 1.00 0.00 C ATOM 1106 O VAL A 68 76.660 74.860 20.640 1.00 0.00 O ATOM 1107 CB VAL A 68 79.120 73.550 21.370 1.00 0.00 C ATOM 1108 CG1 VAL A 68 80.540 73.000 21.240 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.720 73.490 22.840 1.00 0.00 C ATOM 0 H VAL A 68 79.907 75.663 22.576 1.00 0.00 H new ATOM 0 HA VAL A 68 79.346 74.947 19.785 1.00 0.00 H new ATOM 0 HB VAL A 68 78.430 72.949 20.777 1.00 0.00 H new ATOM 0 HG11 VAL A 68 80.573 71.982 21.628 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.835 72.998 20.191 1.00 0.00 H new ATOM 0 HG13 VAL A 68 81.227 73.627 21.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.786 72.461 23.193 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.391 74.119 23.426 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.697 73.847 22.953 1.00 0.00 H new ATOM 1119 N SER A 69 77.500 76.830 21.410 1.00 0.00 N ATOM 1120 CA SER A 69 76.220 77.480 21.730 1.00 0.00 C ATOM 1121 C SER A 69 75.480 77.530 20.450 1.00 0.00 C ATOM 1122 O SER A 69 74.340 77.160 20.410 1.00 0.00 O ATOM 1123 CB SER A 69 76.370 78.920 22.280 1.00 0.00 C ATOM 1124 OG SER A 69 76.920 79.780 21.290 1.00 0.00 O ATOM 0 H SER A 69 78.309 77.430 21.573 1.00 0.00 H new ATOM 0 HA SER A 69 75.716 76.917 22.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.398 79.297 22.597 1.00 0.00 H new ATOM 0 HB3 SER A 69 77.012 78.913 23.161 1.00 0.00 H new ATOM 0 HG SER A 69 76.233 80.409 20.985 1.00 0.00 H new ATOM 1130 N THR A 70 76.130 77.950 19.330 1.00 0.00 N ATOM 1131 CA THR A 70 75.500 78.200 18.070 1.00 0.00 C ATOM 1132 C THR A 70 74.820 76.920 17.610 1.00 0.00 C ATOM 1133 O THR A 70 73.710 76.970 17.140 1.00 0.00 O ATOM 1134 CB THR A 70 76.490 78.700 17.010 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.320 77.610 16.700 1.00 0.00 O ATOM 1136 CG2 THR A 70 77.330 79.880 17.500 1.00 0.00 C ATOM 0 H THR A 70 77.136 78.119 19.313 1.00 0.00 H new ATOM 0 HA THR A 70 74.765 78.995 18.200 1.00 0.00 H new ATOM 0 HB THR A 70 75.945 79.064 16.139 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.974 77.879 16.021 1.00 0.00 H new ATOM 0 HG21 THR A 70 78.013 80.193 16.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 76.674 80.710 17.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.903 79.579 18.377 1.00 0.00 H new ATOM 1144 N ASP A 71 75.470 75.790 17.780 1.00 0.00 N ATOM 1145 CA ASP A 71 74.970 74.440 17.530 1.00 0.00 C ATOM 1146 C ASP A 71 73.940 73.880 18.540 1.00 0.00 C ATOM 1147 O ASP A 71 72.960 73.300 18.120 1.00 0.00 O ATOM 1148 CB ASP A 71 76.200 73.550 17.460 1.00 0.00 C ATOM 1149 CG ASP A 71 77.000 73.850 16.220 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.370 74.560 15.310 1.00 0.00 O ATOM 1151 OD2 ASP A 71 78.150 73.450 16.140 1.00 0.00 O ATOM 0 H ASP A 71 76.431 75.781 18.121 1.00 0.00 H new ATOM 0 HA ASP A 71 74.393 74.468 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.818 73.704 18.344 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.898 72.503 17.460 1.00 0.00 H new ATOM 1156 N GLU A 72 74.150 74.100 19.840 1.00 0.00 N ATOM 1157 CA GLU A 72 73.300 73.420 20.850 1.00 0.00 C ATOM 1158 C GLU A 72 72.480 74.360 21.770 1.00 0.00 C ATOM 1159 O GLU A 72 71.300 74.150 22.070 1.00 0.00 O ATOM 1160 CB GLU A 72 74.170 72.500 21.710 1.00 0.00 C ATOM 1161 CG GLU A 72 74.710 71.310 20.900 1.00 0.00 C ATOM 1162 CD GLU A 72 75.550 70.370 21.770 1.00 0.00 C ATOM 1163 OE1 GLU A 72 75.740 70.680 22.960 1.00 0.00 O ATOM 1164 OE2 GLU A 72 76.080 69.380 21.210 1.00 0.00 O ATOM 0 H GLU A 72 74.869 74.716 20.219 1.00 0.00 H new ATOM 0 HA GLU A 72 72.561 72.860 20.276 1.00 0.00 H new ATOM 0 HB2 GLU A 72 75.004 73.068 22.122 1.00 0.00 H new ATOM 0 HB3 GLU A 72 73.587 72.131 22.554 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.877 70.757 20.465 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.315 71.678 20.072 1.00 0.00 H new ATOM 1171 N LYS A 73 73.110 75.410 22.200 1.00 0.00 N ATOM 1172 CA LYS A 73 72.720 76.310 23.270 1.00 0.00 C ATOM 1173 C LYS A 73 72.360 75.640 24.560 1.00 0.00 C ATOM 1174 O LYS A 73 71.560 76.160 25.300 1.00 0.00 O ATOM 1175 CB LYS A 73 71.550 77.150 22.770 1.00 0.00 C ATOM 1176 CG LYS A 73 71.970 78.100 21.670 1.00 0.00 C ATOM 1177 CD LYS A 73 70.780 78.910 21.180 1.00 0.00 C ATOM 1178 CE LYS A 73 71.190 79.880 20.090 1.00 0.00 C ATOM 1179 NZ LYS A 73 70.050 80.670 19.610 1.00 0.00 N ATOM 0 H LYS A 73 73.994 75.695 21.779 1.00 0.00 H new ATOM 0 HA LYS A 73 73.592 76.919 23.510 1.00 0.00 H new ATOM 0 HB2 LYS A 73 70.762 76.493 22.402 1.00 0.00 H new ATOM 0 HB3 LYS A 73 71.129 77.718 23.600 1.00 0.00 H new ATOM 0 HG2 LYS A 73 72.747 78.771 22.038 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.400 77.538 20.841 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.010 78.238 20.802 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.342 79.459 22.014 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.962 80.549 20.470 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.627 79.329 19.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.369 81.322 18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 69.324 80.033 19.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 69.649 81.215 20.399 1.00 0.00 H new ATOM 1193 N ASP A 74 72.950 74.490 24.910 1.00 0.00 N ATOM 1194 CA ASP A 74 72.700 73.990 26.250 1.00 0.00 C ATOM 1195 C ASP A 74 73.660 74.400 27.350 1.00 0.00 C ATOM 1196 O ASP A 74 73.440 74.000 28.500 1.00 0.00 O ATOM 1197 CB ASP A 74 72.640 72.480 26.180 1.00 0.00 C ATOM 1198 CG ASP A 74 73.910 71.880 25.640 1.00 0.00 C ATOM 1199 OD1 ASP A 74 74.670 72.690 24.950 1.00 0.00 O ATOM 1200 OD2 ASP A 74 74.120 70.720 25.900 1.00 0.00 O ATOM 0 H ASP A 74 73.563 73.926 24.322 1.00 0.00 H new ATOM 0 HA ASP A 74 71.763 74.459 26.549 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.447 72.080 27.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.803 72.181 25.549 1.00 0.00 H new ATOM 1205 N PHE A 75 74.730 75.150 27.120 1.00 0.00 N ATOM 1206 CA PHE A 75 75.970 74.750 27.720 1.00 0.00 C ATOM 1207 C PHE A 75 76.640 76.010 28.340 1.00 0.00 C ATOM 1208 O PHE A 75 77.190 76.840 27.620 1.00 0.00 O ATOM 1209 CB PHE A 75 76.870 74.090 26.680 1.00 0.00 C ATOM 1210 CG PHE A 75 77.950 73.260 27.300 1.00 0.00 C ATOM 1211 CD1 PHE A 75 78.780 73.850 28.220 1.00 0.00 C ATOM 1212 CD2 PHE A 75 78.120 71.920 26.970 1.00 0.00 C ATOM 1213 CE1 PHE A 75 79.790 73.100 28.780 1.00 0.00 C ATOM 1214 CE2 PHE A 75 79.130 71.170 27.580 1.00 0.00 C ATOM 1215 CZ PHE A 75 79.990 71.760 28.490 1.00 0.00 C ATOM 0 H PHE A 75 74.757 75.995 26.550 1.00 0.00 H new ATOM 0 HA PHE A 75 75.795 74.015 28.506 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.264 73.463 26.026 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.322 74.860 26.054 1.00 0.00 H new ATOM 0 HD1 PHE A 75 78.643 74.884 28.500 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.471 71.458 26.241 1.00 0.00 H new ATOM 0 HE1 PHE A 75 80.459 73.580 29.479 1.00 0.00 H new ATOM 0 HE2 PHE A 75 79.240 70.123 27.339 1.00 0.00 H new ATOM 0 HZ PHE A 75 80.786 71.198 28.956 1.00 0.00 H new ATOM 1225 N LEU A 76 76.680 76.140 29.630 1.00 0.00 N ATOM 1226 CA LEU A 76 77.360 77.300 30.270 1.00 0.00 C ATOM 1227 C LEU A 76 78.640 76.880 30.980 1.00 0.00 C ATOM 1228 O LEU A 76 78.620 75.950 31.770 1.00 0.00 O ATOM 1229 CB LEU A 76 76.400 77.950 31.240 1.00 0.00 C ATOM 1230 CG LEU A 76 75.190 78.590 30.630 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.230 79.080 31.720 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.620 79.780 29.790 1.00 0.00 C ATOM 0 H LEU A 76 76.262 75.479 30.285 1.00 0.00 H new ATOM 0 HA LEU A 76 77.646 78.013 29.497 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.068 77.196 31.954 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.942 78.708 31.806 1.00 0.00 H new ATOM 0 HG LEU A 76 74.682 77.850 30.012 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.358 79.541 31.256 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.912 78.235 32.331 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.737 79.812 32.349 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.742 80.248 29.345 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.136 80.504 30.421 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.292 79.444 29.000 1.00 0.00 H new ATOM 1244 N TYR A 77 79.790 77.510 30.720 1.00 0.00 N ATOM 1245 CA TYR A 77 81.050 77.000 31.260 1.00 0.00 C ATOM 1246 C TYR A 77 81.390 77.880 32.470 1.00 0.00 C ATOM 1247 O TYR A 77 81.530 79.100 32.340 1.00 0.00 O ATOM 1248 CB TYR A 77 82.200 77.040 30.250 1.00 0.00 C ATOM 1249 CG TYR A 77 83.520 76.600 30.870 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.560 75.600 31.840 1.00 0.00 C ATOM 1251 CD2 TYR A 77 84.720 77.270 30.580 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.780 75.210 32.400 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.950 76.780 31.000 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.980 75.770 31.970 1.00 0.00 C ATOM 1255 OH TYR A 77 87.160 75.400 32.520 1.00 0.00 O ATOM 0 H TYR A 77 79.873 78.354 30.153 1.00 0.00 H new ATOM 0 HA TYR A 77 80.927 75.950 31.526 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.963 76.393 29.405 1.00 0.00 H new ATOM 0 HB3 TYR A 77 82.303 78.052 29.858 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.645 75.124 32.160 1.00 0.00 H new ATOM 0 HD2 TYR A 77 84.685 78.190 30.016 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.792 74.462 33.179 1.00 0.00 H new ATOM 0 HE2 TYR A 77 86.868 77.171 30.586 1.00 0.00 H new ATOM 0 HH TYR A 77 87.890 75.896 32.093 1.00 0.00 H new ATOM 1265 N GLU A 78 81.500 77.330 33.650 1.00 0.00 N ATOM 1266 CA GLU A 78 81.370 78.150 34.870 1.00 0.00 C ATOM 1267 C GLU A 78 82.540 77.770 35.820 1.00 0.00 C ATOM 1268 O GLU A 78 82.640 76.610 36.240 1.00 0.00 O ATOM 1269 CB GLU A 78 79.980 77.930 35.500 1.00 0.00 C ATOM 1270 CG GLU A 78 79.660 78.980 36.560 1.00 0.00 C ATOM 1271 CD GLU A 78 80.540 78.880 37.800 1.00 0.00 C ATOM 1272 OE1 GLU A 78 81.290 77.940 37.960 1.00 0.00 O ATOM 1273 OE2 GLU A 78 80.400 79.700 38.720 1.00 0.00 O ATOM 0 H GLU A 78 81.676 76.339 33.813 1.00 0.00 H new ATOM 0 HA GLU A 78 81.439 79.216 34.652 1.00 0.00 H new ATOM 0 HB2 GLU A 78 79.220 77.959 34.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.938 76.937 35.949 1.00 0.00 H new ATOM 0 HG2 GLU A 78 79.773 79.972 36.123 1.00 0.00 H new ATOM 0 HG3 GLU A 78 78.616 78.879 36.856 1.00 0.00 H new ATOM 1280 N LEU A 79 83.360 78.710 36.240 1.00 0.00 N ATOM 1281 CA LEU A 79 84.600 78.300 36.920 1.00 0.00 C ATOM 1282 C LEU A 79 84.610 78.790 38.320 1.00 0.00 C ATOM 1283 O LEU A 79 84.360 79.960 38.490 1.00 0.00 O ATOM 1284 CB LEU A 79 85.810 78.810 36.140 1.00 0.00 C ATOM 1285 CG LEU A 79 85.890 78.260 34.720 1.00 0.00 C ATOM 1286 CD1 LEU A 79 84.740 78.730 33.860 1.00 0.00 C ATOM 1287 CD2 LEU A 79 87.200 78.660 34.060 1.00 0.00 C ATOM 0 H LEU A 79 83.216 79.715 36.138 1.00 0.00 H new ATOM 0 HA LEU A 79 84.650 77.212 36.953 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.774 79.899 36.099 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.719 78.541 36.678 1.00 0.00 H new ATOM 0 HG LEU A 79 85.834 77.175 34.804 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.841 78.312 32.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.799 78.399 34.298 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.750 79.818 33.802 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.235 78.257 33.048 1.00 0.00 H new ATOM 0 HD22 LEU A 79 87.270 79.747 34.020 1.00 0.00 H new ATOM 0 HD23 LEU A 79 88.035 78.263 34.638 1.00 0.00 H new ATOM 1299 N HIS A 80 84.960 77.930 39.330 1.00 0.00 N ATOM 1300 CA HIS A 80 84.770 78.270 40.730 1.00 0.00 C ATOM 1301 C HIS A 80 86.150 78.400 41.340 1.00 0.00 C ATOM 1302 O HIS A 80 86.970 77.520 41.120 1.00 0.00 O ATOM 1303 CB HIS A 80 83.950 77.200 41.490 1.00 0.00 C ATOM 1304 CG HIS A 80 82.560 77.000 40.960 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.520 77.900 41.190 1.00 0.00 N ATOM 1306 CD2 HIS A 80 82.070 75.970 40.220 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.460 77.410 40.550 1.00 0.00 C ATOM 1308 NE2 HIS A 80 80.750 76.230 39.990 1.00 0.00 N ATOM 0 H HIS A 80 85.370 77.009 39.174 1.00 0.00 H new ATOM 0 HA HIS A 80 84.204 79.198 40.807 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.484 76.251 41.446 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.889 77.483 42.541 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.563 78.760 41.738 1.00 0.00 H new ATOM 0 HD2 HIS A 80 82.622 75.107 39.878 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.498 77.898 40.491 1.00 0.00 H new ATOM 1316 N ILE A 81 86.460 79.510 42.080 1.00 0.00 N ATOM 1317 CA ILE A 81 87.900 79.650 42.450 1.00 0.00 C ATOM 1318 C ILE A 81 88.960 79.300 41.330 1.00 0.00 C ATOM 1319 O ILE A 81 89.890 78.510 41.490 1.00 0.00 O ATOM 1320 CB ILE A 81 88.140 78.820 43.730 1.00 0.00 C ATOM 1321 CG1 ILE A 81 87.460 79.460 44.930 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.640 78.720 44.050 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.600 78.580 46.160 1.00 0.00 C ATOM 0 H ILE A 81 85.820 80.238 42.399 1.00 0.00 H new ATOM 0 HA ILE A 81 88.073 80.714 42.609 1.00 0.00 H new ATOM 0 HB ILE A 81 87.726 77.829 43.543 1.00 0.00 H new ATOM 0 HG12 ILE A 81 87.900 80.438 45.125 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.405 79.623 44.712 1.00 0.00 H new ATOM 0 HG21 ILE A 81 89.780 78.130 44.956 1.00 0.00 H new ATOM 0 HG22 ILE A 81 90.158 78.239 43.220 1.00 0.00 H new ATOM 0 HG23 ILE A 81 90.047 79.720 44.201 1.00 0.00 H new ATOM 0 HD11 ILE A 81 87.106 79.057 47.007 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.138 77.612 45.969 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.656 78.439 46.388 1.00 0.00 H new ATOM 1335 N ILE A 82 88.790 79.830 40.120 1.00 0.00 N ATOM 1336 CA ILE A 82 89.700 79.740 38.940 1.00 0.00 C ATOM 1337 C ILE A 82 91.180 80.270 39.240 1.00 0.00 C ATOM 1338 O ILE A 82 92.000 80.260 38.410 1.00 0.00 O ATOM 1339 CB ILE A 82 89.090 80.470 37.740 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.820 80.120 36.450 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.160 81.960 37.980 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.730 78.680 36.060 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.450 80.750 40.380 1.00 0.00 O ATOM 0 H ILE A 82 87.957 80.377 39.905 1.00 0.00 H new ATOM 0 HA ILE A 82 89.801 78.681 38.703 1.00 0.00 H new ATOM 0 HB ILE A 82 88.052 80.156 37.633 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.415 80.729 35.641 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.871 80.390 36.557 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.727 82.486 37.129 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.603 82.210 38.883 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.201 82.260 38.101 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.277 78.520 35.131 1.00 0.00 H new ATOM 0 HD12 ILE A 82 90.163 78.062 36.847 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.685 78.406 35.917 1.00 0.00 H new TER 1355 ILE A 82