USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HD1:sc= -2.6 K(o=-2.7,f=-0.86) USER MOD Set 1.2: A 47 MET CE :methyl 141:sc= -0.0941 (180deg=-0.814) USER MOD Set 2.1: A 34 SER OG : rot 176:sc= 0.03 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0.0302 USER MOD Set 3.1: A 1 SER OG : rot 92:sc= 0.578 USER MOD Set 3.2: A 2 HIS : no HD1:sc= 0.663 K(o=1.2,f=-2.2) USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.0133 (180deg=-0.043) USER MOD Single : A 3 MET CE :methyl -161:sc= -0.0231 (180deg=-0.571) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.68 K(o=-2.7,f=-2) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.117 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0.315 (180deg=0.269) 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 HE2:sc= 0.528 K(o=0.53,f=-4.7!) USER MOD Single : A 29 SER OG : rot -34:sc= 0.978 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0579 USER MOD Single : A 41 THR OG1 : rot -107:sc= 0.61 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.66) 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+ -147:sc= -1.82 (180deg=-3.65!) USER MOD Single : A 59 HIS : no HE2:sc= -0.418 K(o=-0.42,f=-3.1!) USER MOD Single : A 60 THR OG1 : rot 14:sc= 1.19 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -0.221 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00485 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -3.71 K(o=-3.7,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 76.680 59.560 36.430 1.00 0.00 N ATOM 2 CA SER A 1 76.210 60.620 37.310 1.00 0.00 C ATOM 3 C SER A 1 77.360 61.530 37.580 1.00 0.00 C ATOM 4 O SER A 1 77.150 62.680 37.390 1.00 0.00 O ATOM 5 CB SER A 1 75.700 60.100 38.630 1.00 0.00 C ATOM 6 OG SER A 1 76.740 59.360 39.220 1.00 0.00 O ATOM 0 H1 SER A 1 75.914 59.278 35.786 1.00 0.00 H new ATOM 0 H2 SER A 1 77.490 59.903 35.875 1.00 0.00 H new ATOM 0 H3 SER A 1 76.973 58.740 36.999 1.00 0.00 H new ATOM 0 HA SER A 1 75.382 61.127 36.815 1.00 0.00 H new ATOM 0 HB2 SER A 1 75.400 60.924 39.277 1.00 0.00 H new ATOM 0 HB3 SER A 1 74.820 59.474 38.482 1.00 0.00 H new ATOM 0 HG SER A 1 77.269 59.945 39.802 1.00 0.00 H new ATOM 14 N HIS A 2 78.530 61.010 37.940 1.00 0.00 N ATOM 15 CA HIS A 2 79.760 61.740 38.210 1.00 0.00 C ATOM 16 C HIS A 2 80.510 62.000 36.930 1.00 0.00 C ATOM 17 O HIS A 2 81.550 61.440 36.620 1.00 0.00 O ATOM 18 CB HIS A 2 80.650 61.000 39.220 1.00 0.00 C ATOM 19 CG HIS A 2 80.070 60.820 40.590 1.00 0.00 C ATOM 20 ND1 HIS A 2 79.050 59.940 40.870 1.00 0.00 N ATOM 21 CD2 HIS A 2 80.400 61.490 41.740 1.00 0.00 C ATOM 22 CE1 HIS A 2 78.740 60.140 42.150 1.00 0.00 C ATOM 23 NE2 HIS A 2 79.530 61.060 42.700 1.00 0.00 N ATOM 0 H HIS A 2 78.649 60.004 38.058 1.00 0.00 H new ATOM 0 HA HIS A 2 79.486 62.696 38.656 1.00 0.00 H new ATOM 0 HB2 HIS A 2 80.888 60.017 38.814 1.00 0.00 H new ATOM 0 HB3 HIS A 2 81.591 61.542 39.313 1.00 0.00 H new ATOM 0 HD2 HIS A 2 81.192 62.215 41.862 1.00 0.00 H new ATOM 0 HE1 HIS A 2 77.950 59.623 42.674 1.00 0.00 H new ATOM 0 HE2 HIS A 2 79.492 61.385 43.666 1.00 0.00 H new ATOM 31 N MET A 3 79.890 62.900 36.190 1.00 0.00 N ATOM 32 CA MET A 3 80.520 63.750 35.200 1.00 0.00 C ATOM 33 C MET A 3 80.370 65.260 35.450 1.00 0.00 C ATOM 34 O MET A 3 80.170 65.960 34.470 1.00 0.00 O ATOM 35 CB MET A 3 79.960 63.380 33.840 1.00 0.00 C ATOM 36 CG MET A 3 78.470 63.670 33.770 1.00 0.00 C ATOM 37 SD MET A 3 77.880 63.380 32.110 1.00 0.00 S ATOM 38 CE MET A 3 78.510 64.800 31.250 1.00 0.00 C ATOM 0 H MET A 3 78.886 63.065 36.267 1.00 0.00 H new ATOM 0 HA MET A 3 81.593 63.570 35.261 1.00 0.00 H new ATOM 0 HB2 MET A 3 80.480 63.940 33.063 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.138 62.323 33.644 1.00 0.00 H new ATOM 0 HG2 MET A 3 77.932 63.035 34.474 1.00 0.00 H new ATOM 0 HG3 MET A 3 78.276 64.703 34.060 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.959 64.936 30.320 1.00 0.00 H new ATOM 0 HE2 MET A 3 78.392 65.686 31.875 1.00 0.00 H new ATOM 0 HE3 MET A 3 79.567 64.651 31.027 1.00 0.00 H new ATOM 48 N LYS A 4 80.330 65.790 36.690 1.00 0.00 N ATOM 49 CA LYS A 4 80.180 67.250 36.870 1.00 0.00 C ATOM 50 C LYS A 4 78.990 67.980 36.200 1.00 0.00 C ATOM 51 O LYS A 4 79.240 69.030 35.650 1.00 0.00 O ATOM 52 CB LYS A 4 81.510 67.800 36.330 1.00 0.00 C ATOM 53 CG LYS A 4 82.670 67.400 37.210 1.00 0.00 C ATOM 54 CD LYS A 4 83.990 67.850 36.610 1.00 0.00 C ATOM 55 CE LYS A 4 85.140 67.500 37.540 1.00 0.00 C ATOM 56 NZ LYS A 4 86.390 68.110 37.040 1.00 0.00 N ATOM 0 H LYS A 4 80.397 65.252 37.554 1.00 0.00 H new ATOM 0 HA LYS A 4 79.950 67.433 37.920 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.674 67.430 35.318 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.457 68.887 36.267 1.00 0.00 H new ATOM 0 HG2 LYS A 4 82.548 67.839 38.200 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.676 66.318 37.340 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.138 67.372 35.642 1.00 0.00 H new ATOM 0 HD3 LYS A 4 83.970 68.926 36.435 1.00 0.00 H new ATOM 0 HE2 LYS A 4 84.927 67.858 38.547 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.252 66.418 37.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.174 67.868 37.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.596 67.748 36.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.281 69.144 37.002 1.00 0.00 H new ATOM 70 N LEU A 5 77.740 67.530 36.190 1.00 0.00 N ATOM 71 CA LEU A 5 76.690 68.190 35.410 1.00 0.00 C ATOM 72 C LEU A 5 75.590 68.650 36.270 1.00 0.00 C ATOM 73 O LEU A 5 75.450 67.960 37.240 1.00 0.00 O ATOM 74 CB LEU A 5 76.220 67.230 34.290 1.00 0.00 C ATOM 75 CG LEU A 5 75.490 65.990 34.740 1.00 0.00 C ATOM 76 CD1 LEU A 5 74.170 66.380 35.430 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.400 65.160 33.480 1.00 0.00 C ATOM 0 H LEU A 5 77.426 66.712 36.712 1.00 0.00 H new ATOM 0 HA LEU A 5 77.088 69.090 34.942 1.00 0.00 H new ATOM 0 HB2 LEU A 5 75.569 67.785 33.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.092 66.924 33.713 1.00 0.00 H new ATOM 0 HG LEU A 5 75.978 65.395 35.512 1.00 0.00 H new ATOM 0 HD11 LEU A 5 73.648 65.479 35.752 1.00 0.00 H new ATOM 0 HD12 LEU A 5 74.383 67.006 36.297 1.00 0.00 H new ATOM 0 HD13 LEU A 5 73.543 66.932 34.730 1.00 0.00 H new ATOM 0 HD21 LEU A 5 74.882 64.226 33.696 1.00 0.00 H new ATOM 0 HD22 LEU A 5 74.850 65.713 32.719 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.404 64.942 33.115 1.00 0.00 H new ATOM 89 N VAL A 6 74.780 69.610 35.800 1.00 0.00 N ATOM 90 CA VAL A 6 73.420 69.910 36.270 1.00 0.00 C ATOM 91 C VAL A 6 72.390 69.490 35.220 1.00 0.00 C ATOM 92 O VAL A 6 72.650 69.640 34.030 1.00 0.00 O ATOM 93 CB VAL A 6 73.320 71.420 36.580 1.00 0.00 C ATOM 94 CG1 VAL A 6 71.900 71.770 37.040 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.300 71.840 37.660 1.00 0.00 C ATOM 0 H VAL A 6 75.071 70.229 35.044 1.00 0.00 H new ATOM 0 HA VAL A 6 73.209 69.347 37.179 1.00 0.00 H new ATOM 0 HB VAL A 6 73.564 71.955 35.662 1.00 0.00 H new ATOM 0 HG11 VAL A 6 71.840 72.837 37.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.190 71.519 36.252 1.00 0.00 H new ATOM 0 HG13 VAL A 6 71.659 71.204 37.940 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.198 72.909 37.848 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.090 71.288 38.576 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.317 71.625 37.332 1.00 0.00 H new ATOM 105 N LEU A 7 71.220 68.960 35.600 1.00 0.00 N ATOM 106 CA LEU A 7 70.150 68.700 34.620 1.00 0.00 C ATOM 107 C LEU A 7 68.940 69.570 34.810 1.00 0.00 C ATOM 108 O LEU A 7 68.470 69.780 35.910 1.00 0.00 O ATOM 109 CB LEU A 7 69.710 67.230 34.630 1.00 0.00 C ATOM 110 CG LEU A 7 70.790 66.290 34.160 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.310 64.820 34.310 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.110 66.660 32.720 1.00 0.00 C ATOM 0 H LEU A 7 70.990 68.706 36.561 1.00 0.00 H new ATOM 0 HA LEU A 7 70.593 68.945 33.655 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.409 66.953 35.640 1.00 0.00 H new ATOM 0 HB3 LEU A 7 68.833 67.114 33.993 1.00 0.00 H new ATOM 0 HG LEU A 7 71.697 66.378 34.759 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.094 64.144 33.969 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.085 64.616 35.357 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.413 64.667 33.710 1.00 0.00 H new ATOM 0 HD21 LEU A 7 71.890 66.001 32.340 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.214 66.552 32.109 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.455 67.693 32.678 1.00 0.00 H new ATOM 124 N ALA A 8 68.370 70.050 33.710 1.00 0.00 N ATOM 125 CA ALA A 8 67.060 70.670 33.710 1.00 0.00 C ATOM 126 C ALA A 8 65.960 69.700 34.030 1.00 0.00 C ATOM 127 O ALA A 8 65.910 68.580 33.510 1.00 0.00 O ATOM 128 CB ALA A 8 66.790 71.220 32.330 1.00 0.00 C ATOM 0 H ALA A 8 68.810 70.017 32.791 1.00 0.00 H new ATOM 0 HA ALA A 8 67.068 71.446 34.476 1.00 0.00 H new ATOM 0 HB1 ALA A 8 65.807 71.691 32.312 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.551 71.959 32.077 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.817 70.408 31.603 1.00 0.00 H new ATOM 134 N LYS A 9 64.950 70.220 34.730 1.00 0.00 N ATOM 135 CA LYS A 9 63.760 69.460 35.050 1.00 0.00 C ATOM 136 C LYS A 9 62.740 69.430 33.950 1.00 0.00 C ATOM 137 O LYS A 9 62.060 68.430 33.860 1.00 0.00 O ATOM 138 CB LYS A 9 63.180 69.940 36.360 1.00 0.00 C ATOM 139 CG LYS A 9 62.520 71.310 36.210 1.00 0.00 C ATOM 140 CD LYS A 9 61.830 71.670 37.520 1.00 0.00 C ATOM 141 CE LYS A 9 61.220 73.030 37.450 1.00 0.00 C ATOM 142 NZ LYS A 9 60.710 73.550 38.750 1.00 0.00 N ATOM 0 H LYS A 9 64.942 71.176 35.085 1.00 0.00 H new ATOM 0 HA LYS A 9 64.066 68.420 35.160 1.00 0.00 H new ATOM 0 HB2 LYS A 9 62.447 69.219 36.721 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.969 69.995 37.110 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.267 72.063 35.958 1.00 0.00 H new ATOM 0 HG3 LYS A 9 61.797 71.293 35.395 1.00 0.00 H new ATOM 0 HD2 LYS A 9 61.058 70.933 37.743 1.00 0.00 H new ATOM 0 HD3 LYS A 9 62.551 71.633 38.337 1.00 0.00 H new ATOM 0 HE2 LYS A 9 61.962 73.727 37.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.398 73.008 36.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.304 74.497 38.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.977 72.910 39.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 61.493 73.606 39.432 1.00 0.00 H new ATOM 156 N ASN A 10 62.640 70.460 33.130 1.00 0.00 N ATOM 157 CA ASN A 10 61.430 70.720 32.340 1.00 0.00 C ATOM 158 C ASN A 10 61.210 69.610 31.340 1.00 0.00 C ATOM 159 O ASN A 10 60.130 69.060 31.230 1.00 0.00 O ATOM 160 CB ASN A 10 61.560 72.070 31.660 1.00 0.00 C ATOM 161 CG ASN A 10 61.410 73.210 32.650 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.910 73.090 33.760 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.790 74.380 32.240 1.00 0.00 N ATOM 0 H ASN A 10 63.385 71.142 32.987 1.00 0.00 H new ATOM 0 HA ASN A 10 60.558 70.745 32.993 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.531 72.139 31.169 1.00 0.00 H new ATOM 0 HB3 ASN A 10 60.802 72.161 30.882 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.671 75.195 32.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.208 74.486 31.315 1.00 0.00 H new ATOM 170 N THR A 11 62.280 69.230 30.710 1.00 0.00 N ATOM 171 CA THR A 11 62.350 68.120 29.760 1.00 0.00 C ATOM 172 C THR A 11 62.310 66.720 30.380 1.00 0.00 C ATOM 173 O THR A 11 61.680 65.840 29.810 1.00 0.00 O ATOM 174 CB THR A 11 63.670 68.290 29.050 1.00 0.00 C ATOM 175 OG1 THR A 11 64.590 68.380 30.130 1.00 0.00 O ATOM 176 CG2 THR A 11 63.650 69.560 28.220 1.00 0.00 C ATOM 0 H THR A 11 63.178 69.696 30.838 1.00 0.00 H new ATOM 0 HA THR A 11 61.470 68.167 29.119 1.00 0.00 H new ATOM 0 HB THR A 11 63.916 67.488 28.354 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.498 68.493 29.778 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.606 69.676 27.710 1.00 0.00 H new ATOM 0 HG22 THR A 11 62.850 69.500 27.482 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.479 70.417 28.871 1.00 0.00 H new ATOM 184 N ARG A 12 62.990 66.490 31.510 1.00 0.00 N ATOM 185 CA ARG A 12 63.230 65.140 32.040 1.00 0.00 C ATOM 186 C ARG A 12 62.280 64.790 33.170 1.00 0.00 C ATOM 187 O ARG A 12 61.730 63.700 33.200 1.00 0.00 O ATOM 188 CB ARG A 12 64.660 65.060 32.580 1.00 0.00 C ATOM 189 CG ARG A 12 65.690 65.220 31.460 1.00 0.00 C ATOM 190 CD ARG A 12 67.120 65.190 32.020 1.00 0.00 C ATOM 191 NE ARG A 12 68.100 65.670 31.070 1.00 0.00 N ATOM 192 CZ ARG A 12 68.480 66.920 30.960 1.00 0.00 C ATOM 193 NH1 ARG A 12 67.900 67.830 31.680 1.00 0.00 N ATOM 194 NH2 ARG A 12 69.350 67.270 30.050 1.00 0.00 N ATOM 0 H ARG A 12 63.389 67.233 32.083 1.00 0.00 H new ATOM 0 HA ARG A 12 63.070 64.436 31.223 1.00 0.00 H new ATOM 0 HB2 ARG A 12 64.811 65.837 33.329 1.00 0.00 H new ATOM 0 HB3 ARG A 12 64.809 64.103 33.079 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.565 64.421 30.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 65.520 66.161 30.936 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.166 65.799 32.923 1.00 0.00 H new ATOM 0 HD3 ARG A 12 67.371 64.170 32.311 1.00 0.00 H new ATOM 0 HE ARG A 12 68.525 64.988 30.442 1.00 0.00 H new ATOM 0 HH11 ARG A 12 67.154 67.571 32.326 1.00 0.00 H new ATOM 0 HH12 ARG A 12 68.190 68.805 31.600 1.00 0.00 H new ATOM 0 HH21 ARG A 12 69.738 66.569 29.419 1.00 0.00 H new ATOM 0 HH22 ARG A 12 69.641 68.244 29.970 1.00 0.00 H new ATOM 208 N LYS A 13 62.100 65.750 34.060 1.00 0.00 N ATOM 209 CA LYS A 13 61.920 65.640 35.500 1.00 0.00 C ATOM 210 C LYS A 13 62.050 64.240 36.100 1.00 0.00 C ATOM 211 O LYS A 13 61.080 63.490 36.110 1.00 0.00 O ATOM 212 CB LYS A 13 60.560 66.280 35.820 1.00 0.00 C ATOM 213 CG LYS A 13 60.270 66.260 37.320 1.00 0.00 C ATOM 214 CD LYS A 13 58.930 66.930 37.600 1.00 0.00 C ATOM 215 CE LYS A 13 58.630 66.880 39.090 1.00 0.00 C ATOM 216 NZ LYS A 13 57.320 67.510 39.380 1.00 0.00 N ATOM 0 H LYS A 13 62.073 66.726 33.763 1.00 0.00 H new ATOM 0 HA LYS A 13 62.750 66.160 35.977 1.00 0.00 H new ATOM 0 HB2 LYS A 13 60.547 67.309 35.460 1.00 0.00 H new ATOM 0 HB3 LYS A 13 59.772 65.746 35.289 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.255 65.232 37.682 1.00 0.00 H new ATOM 0 HG3 LYS A 13 61.064 66.776 37.859 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.952 67.965 37.259 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.139 66.428 37.043 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.625 65.845 39.431 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.417 67.394 39.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.132 67.466 40.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.337 68.504 39.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.570 67.003 38.868 1.00 0.00 H new ATOM 230 N SER A 14 63.150 63.980 36.820 1.00 0.00 N ATOM 231 CA SER A 14 63.040 63.400 38.160 1.00 0.00 C ATOM 232 C SER A 14 62.960 64.470 39.250 1.00 0.00 C ATOM 233 O SER A 14 61.860 64.730 39.740 1.00 0.00 O ATOM 234 CB SER A 14 64.170 62.410 38.440 1.00 0.00 C ATOM 235 OG SER A 14 65.410 63.090 38.420 1.00 0.00 O ATOM 0 H SER A 14 64.104 64.158 36.505 1.00 0.00 H new ATOM 0 HA SER A 14 62.100 62.848 38.184 1.00 0.00 H new ATOM 0 HB2 SER A 14 64.019 61.935 39.409 1.00 0.00 H new ATOM 0 HB3 SER A 14 64.166 61.617 37.692 1.00 0.00 H new ATOM 0 HG SER A 14 66.134 62.455 38.601 1.00 0.00 H new ATOM 241 N ASP A 15 64.040 65.170 39.540 1.00 0.00 N ATOM 242 CA ASP A 15 64.070 66.140 40.640 1.00 0.00 C ATOM 243 C ASP A 15 65.040 67.300 40.440 1.00 0.00 C ATOM 244 O ASP A 15 65.200 68.140 41.320 1.00 0.00 O ATOM 245 CB ASP A 15 64.480 65.420 41.900 1.00 0.00 C ATOM 246 CG ASP A 15 65.890 64.930 41.890 1.00 0.00 C ATOM 247 OD1 ASP A 15 66.480 64.870 40.720 1.00 0.00 O ATOM 248 OD2 ASP A 15 66.340 64.510 42.890 1.00 0.00 O ATOM 0 H ASP A 15 64.920 65.090 39.030 1.00 0.00 H new ATOM 0 HA ASP A 15 63.068 66.567 40.691 1.00 0.00 H new ATOM 0 HB2 ASP A 15 64.346 66.090 42.749 1.00 0.00 H new ATOM 0 HB3 ASP A 15 63.813 64.572 42.055 1.00 0.00 H new ATOM 253 N ALA A 16 65.620 67.400 39.250 1.00 0.00 N ATOM 254 CA ALA A 16 66.970 67.910 39.110 1.00 0.00 C ATOM 255 C ALA A 16 67.020 69.360 39.480 1.00 0.00 C ATOM 256 O ALA A 16 68.080 69.840 39.850 1.00 0.00 O ATOM 257 CB ALA A 16 67.430 67.780 37.670 1.00 0.00 C ATOM 0 H ALA A 16 65.174 67.134 38.372 1.00 0.00 H new ATOM 0 HA ALA A 16 67.617 67.332 39.769 1.00 0.00 H new ATOM 0 HB1 ALA A 16 68.445 68.166 37.576 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.412 66.731 37.376 1.00 0.00 H new ATOM 0 HB3 ALA A 16 66.764 68.350 37.022 1.00 0.00 H new ATOM 263 N LYS A 17 65.930 70.120 39.320 1.00 0.00 N ATOM 264 CA LYS A 17 66.080 71.550 39.460 1.00 0.00 C ATOM 265 C LYS A 17 66.120 72.020 40.880 1.00 0.00 C ATOM 266 O LYS A 17 65.330 72.860 41.190 1.00 0.00 O ATOM 267 CB LYS A 17 65.170 72.330 38.510 1.00 0.00 C ATOM 268 CG LYS A 17 65.480 73.830 38.430 1.00 0.00 C ATOM 269 CD LYS A 17 64.480 74.560 37.530 1.00 0.00 C ATOM 270 CE LYS A 17 64.780 76.060 37.560 1.00 0.00 C ATOM 271 NZ LYS A 17 63.790 76.840 36.770 1.00 0.00 N ATOM 0 H LYS A 17 64.991 69.783 39.106 1.00 0.00 H new ATOM 0 HA LYS A 17 67.084 71.798 39.115 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.252 71.900 37.512 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.136 72.201 38.828 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.454 74.262 39.430 1.00 0.00 H new ATOM 0 HG3 LYS A 17 66.490 73.974 38.046 1.00 0.00 H new ATOM 0 HD2 LYS A 17 64.548 74.183 36.509 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.462 74.373 37.871 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.777 76.410 38.592 1.00 0.00 H new ATOM 0 HE3 LYS A 17 65.780 76.238 37.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.111 77.826 36.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.699 76.425 35.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.867 76.815 37.248 1.00 0.00 H new ATOM 285 N SER A 18 67.030 71.570 41.730 1.00 0.00 N ATOM 286 CA SER A 18 67.720 72.450 42.690 1.00 0.00 C ATOM 287 C SER A 18 69.250 72.390 42.690 1.00 0.00 C ATOM 288 O SER A 18 69.920 73.180 43.360 1.00 0.00 O ATOM 289 CB SER A 18 67.220 72.130 44.080 1.00 0.00 C ATOM 290 OG SER A 18 67.480 70.790 44.400 1.00 0.00 O ATOM 0 H SER A 18 67.317 70.593 41.782 1.00 0.00 H new ATOM 0 HA SER A 18 67.481 73.464 42.369 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.704 72.784 44.806 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.149 72.323 44.141 1.00 0.00 H new ATOM 0 HG SER A 18 67.152 70.600 45.304 1.00 0.00 H new ATOM 296 N VAL A 19 69.780 71.460 41.900 1.00 0.00 N ATOM 297 CA VAL A 19 71.100 70.850 42.070 1.00 0.00 C ATOM 298 C VAL A 19 72.250 71.810 41.840 1.00 0.00 C ATOM 299 O VAL A 19 73.210 71.760 42.590 1.00 0.00 O ATOM 300 CB VAL A 19 71.190 69.660 41.120 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.610 69.200 40.980 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.270 68.520 41.600 1.00 0.00 C ATOM 0 H VAL A 19 69.282 71.094 41.089 1.00 0.00 H new ATOM 0 HA VAL A 19 71.198 70.535 43.109 1.00 0.00 H new ATOM 0 HB VAL A 19 70.848 69.972 40.133 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.652 68.351 40.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.219 70.013 40.584 1.00 0.00 H new ATOM 0 HG13 VAL A 19 72.994 68.901 41.956 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.345 67.678 40.912 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.574 68.202 42.597 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.239 68.873 41.631 1.00 0.00 H new ATOM 312 N GLU A 20 72.170 72.690 40.860 1.00 0.00 N ATOM 313 CA GLU A 20 73.230 73.690 40.700 1.00 0.00 C ATOM 314 C GLU A 20 73.420 74.550 41.950 1.00 0.00 C ATOM 315 O GLU A 20 74.540 74.780 42.360 1.00 0.00 O ATOM 316 CB GLU A 20 72.950 74.580 39.510 1.00 0.00 C ATOM 317 CG GLU A 20 71.680 75.380 39.690 1.00 0.00 C ATOM 318 CD GLU A 20 71.390 76.180 38.400 1.00 0.00 C ATOM 319 OE1 GLU A 20 72.000 75.950 37.350 1.00 0.00 O ATOM 320 OE2 GLU A 20 70.460 76.990 38.430 1.00 0.00 O ATOM 0 H GLU A 20 71.412 72.741 40.179 1.00 0.00 H new ATOM 0 HA GLU A 20 74.155 73.137 40.535 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.789 75.260 39.360 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.870 73.969 38.611 1.00 0.00 H new ATOM 0 HG2 GLU A 20 70.846 74.714 39.913 1.00 0.00 H new ATOM 0 HG3 GLU A 20 71.782 76.059 40.537 1.00 0.00 H new ATOM 327 N LEU A 21 72.360 75.000 42.640 1.00 0.00 N ATOM 328 CA LEU A 21 72.590 75.890 43.780 1.00 0.00 C ATOM 329 C LEU A 21 73.410 75.190 44.850 1.00 0.00 C ATOM 330 O LEU A 21 74.340 75.750 45.430 1.00 0.00 O ATOM 331 CB LEU A 21 71.300 76.440 44.370 1.00 0.00 C ATOM 332 CG LEU A 21 70.480 77.310 43.390 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.160 77.710 44.020 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.240 78.570 43.000 1.00 0.00 C ATOM 0 H LEU A 21 71.385 74.775 42.441 1.00 0.00 H new ATOM 0 HA LEU A 21 73.152 76.744 43.401 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.682 75.607 44.705 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.540 77.033 45.252 1.00 0.00 H new ATOM 0 HG LEU A 21 70.300 76.714 42.495 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.593 78.322 43.319 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.588 76.815 44.265 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.349 78.280 44.929 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.637 79.160 42.310 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.451 79.159 43.893 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.178 78.295 42.517 1.00 0.00 H new ATOM 346 N GLU A 22 72.980 73.970 45.140 1.00 0.00 N ATOM 347 CA GLU A 22 73.700 73.130 46.070 1.00 0.00 C ATOM 348 C GLU A 22 75.090 72.790 45.590 1.00 0.00 C ATOM 349 O GLU A 22 76.000 72.910 46.410 1.00 0.00 O ATOM 350 CB GLU A 22 72.940 71.840 46.290 1.00 0.00 C ATOM 351 CG GLU A 22 73.570 71.030 47.380 1.00 0.00 C ATOM 352 CD GLU A 22 72.690 69.810 47.570 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.580 69.720 47.030 1.00 0.00 O ATOM 354 OE2 GLU A 22 73.110 68.970 48.370 1.00 0.00 O ATOM 0 H GLU A 22 72.140 73.547 44.744 1.00 0.00 H new ATOM 0 HA GLU A 22 73.790 73.695 46.998 1.00 0.00 H new ATOM 0 HB2 GLU A 22 71.905 72.062 46.548 1.00 0.00 H new ATOM 0 HB3 GLU A 22 72.921 71.262 45.366 1.00 0.00 H new ATOM 0 HG2 GLU A 22 74.585 70.738 47.110 1.00 0.00 H new ATOM 0 HG3 GLU A 22 73.639 71.607 48.302 1.00 0.00 H new ATOM 361 N ASP A 23 75.260 72.450 44.330 1.00 0.00 N ATOM 362 CA ASP A 23 76.540 72.000 43.850 1.00 0.00 C ATOM 363 C ASP A 23 77.500 73.130 43.910 1.00 0.00 C ATOM 364 O ASP A 23 78.620 72.920 44.320 1.00 0.00 O ATOM 365 CB ASP A 23 76.460 71.490 42.430 1.00 0.00 C ATOM 366 CG ASP A 23 75.790 70.120 42.410 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.300 69.620 43.510 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.720 69.540 41.370 1.00 0.00 O ATOM 0 H ASP A 23 74.525 72.478 43.623 1.00 0.00 H new ATOM 0 HA ASP A 23 76.870 71.176 44.483 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.896 72.190 41.814 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.460 71.422 42.001 1.00 0.00 H new ATOM 373 N LEU A 24 77.090 74.350 43.640 1.00 0.00 N ATOM 374 CA LEU A 24 78.050 75.430 43.610 1.00 0.00 C ATOM 375 C LEU A 24 78.620 75.590 45.010 1.00 0.00 C ATOM 376 O LEU A 24 79.840 75.600 45.160 1.00 0.00 O ATOM 377 CB LEU A 24 77.380 76.720 43.160 1.00 0.00 C ATOM 378 CG LEU A 24 77.440 77.010 41.660 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.630 75.980 40.890 1.00 0.00 C ATOM 380 CD2 LEU A 24 76.860 78.400 41.370 1.00 0.00 C ATOM 0 H LEU A 24 76.125 74.615 43.443 1.00 0.00 H new ATOM 0 HA LEU A 24 78.848 75.205 42.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.334 76.690 43.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.842 77.552 43.691 1.00 0.00 H new ATOM 0 HG LEU A 24 78.483 76.967 41.347 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.682 76.199 39.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 77.035 74.985 41.076 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.591 76.016 41.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.907 78.598 40.299 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.822 78.437 41.701 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.438 79.154 41.904 1.00 0.00 H new ATOM 392 N TYR A 25 77.760 75.680 46.030 1.00 0.00 N ATOM 393 CA TYR A 25 78.230 75.800 47.410 1.00 0.00 C ATOM 394 C TYR A 25 79.110 74.620 47.770 1.00 0.00 C ATOM 395 O TYR A 25 80.200 74.790 48.320 1.00 0.00 O ATOM 396 CB TYR A 25 77.080 75.910 48.430 1.00 0.00 C ATOM 397 CG TYR A 25 77.620 76.010 49.840 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.060 77.240 50.360 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.710 74.860 50.640 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.600 77.330 51.660 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.170 74.950 51.950 1.00 0.00 C ATOM 402 CZ TYR A 25 78.640 76.160 52.450 1.00 0.00 C ATOM 403 OH TYR A 25 79.210 76.090 53.680 1.00 0.00 O ATOM 0 H TYR A 25 76.745 75.672 45.926 1.00 0.00 H new ATOM 0 HA TYR A 25 78.802 76.727 47.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.472 76.786 48.206 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.429 75.040 48.346 1.00 0.00 H new ATOM 0 HD1 TYR A 25 77.983 78.131 49.754 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.421 73.901 50.237 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.973 78.269 52.041 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.162 74.075 52.583 1.00 0.00 H new ATOM 0 HH TYR A 25 79.115 75.181 54.033 1.00 0.00 H new ATOM 413 N HIS A 26 78.620 73.420 47.470 1.00 0.00 N ATOM 414 CA HIS A 26 79.260 72.230 47.980 1.00 0.00 C ATOM 415 C HIS A 26 80.460 71.730 47.160 1.00 0.00 C ATOM 416 O HIS A 26 81.460 71.280 47.710 1.00 0.00 O ATOM 417 CB HIS A 26 78.180 71.170 48.070 1.00 0.00 C ATOM 418 CG HIS A 26 77.190 71.400 49.170 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.110 72.200 49.030 1.00 0.00 N ATOM 420 CD2 HIS A 26 77.180 70.900 50.450 1.00 0.00 C ATOM 421 CE1 HIS A 26 75.430 72.190 50.170 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.030 71.410 51.070 1.00 0.00 N ATOM 0 H HIS A 26 77.799 73.256 46.888 1.00 0.00 H new ATOM 0 HA HIS A 26 79.699 72.465 48.949 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.648 71.127 47.120 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.651 70.198 48.216 1.00 0.00 H new ATOM 0 HD1 HIS A 26 75.860 72.723 48.191 1.00 0.00 H new ATOM 0 HD2 HIS A 26 77.914 70.243 50.892 1.00 0.00 H new ATOM 0 HE1 HIS A 26 74.516 72.738 50.345 1.00 0.00 H new ATOM 430 N GLU A 27 80.420 71.810 45.850 1.00 0.00 N ATOM 431 CA GLU A 27 81.540 71.500 44.960 1.00 0.00 C ATOM 432 C GLU A 27 82.680 72.440 45.260 1.00 0.00 C ATOM 433 O GLU A 27 83.810 71.990 45.350 1.00 0.00 O ATOM 434 CB GLU A 27 81.160 71.630 43.480 1.00 0.00 C ATOM 435 CG GLU A 27 80.170 70.560 43.020 1.00 0.00 C ATOM 436 CD GLU A 27 79.890 70.630 41.520 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.460 71.510 40.830 1.00 0.00 O ATOM 438 OE2 GLU A 27 79.260 69.680 40.990 1.00 0.00 O ATOM 0 H GLU A 27 79.582 72.102 45.347 1.00 0.00 H new ATOM 0 HA GLU A 27 81.829 70.464 45.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.727 72.615 43.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.063 71.567 42.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 80.564 69.574 43.267 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.234 70.676 43.567 1.00 0.00 H new ATOM 445 N PHE A 28 82.360 73.730 45.470 1.00 0.00 N ATOM 446 CA PHE A 28 83.320 74.750 45.830 1.00 0.00 C ATOM 447 C PHE A 28 84.030 74.420 47.130 1.00 0.00 C ATOM 448 O PHE A 28 85.230 74.670 47.230 1.00 0.00 O ATOM 449 CB PHE A 28 82.580 76.080 45.950 1.00 0.00 C ATOM 450 CG PHE A 28 83.400 77.220 46.500 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.910 77.210 47.820 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.670 78.310 45.680 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.760 78.210 48.290 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.480 79.330 46.170 1.00 0.00 C ATOM 455 CZ PHE A 28 85.060 79.290 47.460 1.00 0.00 C ATOM 0 H PHE A 28 81.406 74.083 45.389 1.00 0.00 H new ATOM 0 HA PHE A 28 84.086 74.808 45.057 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.209 76.362 44.965 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.709 75.937 46.590 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.633 76.404 48.483 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.259 78.364 44.683 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.180 78.149 49.283 1.00 0.00 H new ATOM 0 HE2 PHE A 28 84.674 80.186 45.541 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.720 80.077 47.794 1.00 0.00 H new ATOM 465 N SER A 29 83.270 74.040 48.150 1.00 0.00 N ATOM 466 CA SER A 29 83.830 73.740 49.460 1.00 0.00 C ATOM 467 C SER A 29 84.630 72.460 49.520 1.00 0.00 C ATOM 468 O SER A 29 85.530 72.390 50.340 1.00 0.00 O ATOM 469 CB SER A 29 82.720 73.520 50.430 1.00 0.00 C ATOM 470 OG SER A 29 81.960 72.380 50.100 1.00 0.00 O ATOM 0 H SER A 29 82.257 73.932 48.093 1.00 0.00 H new ATOM 0 HA SER A 29 84.475 74.589 49.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.130 73.406 51.433 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.073 74.397 50.448 1.00 0.00 H new ATOM 0 HG SER A 29 81.922 72.283 49.126 1.00 0.00 H new ATOM 476 N GLU A 30 84.270 71.440 48.760 1.00 0.00 N ATOM 477 CA GLU A 30 85.030 70.200 48.760 1.00 0.00 C ATOM 478 C GLU A 30 86.250 70.370 47.850 1.00 0.00 C ATOM 479 O GLU A 30 87.370 70.080 48.260 1.00 0.00 O ATOM 480 CB GLU A 30 84.210 69.020 48.230 1.00 0.00 C ATOM 481 CG GLU A 30 83.040 68.620 49.120 1.00 0.00 C ATOM 482 CD GLU A 30 82.290 67.400 48.490 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.510 67.050 47.300 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.580 66.650 49.210 1.00 0.00 O ATOM 0 H GLU A 30 83.461 71.444 48.138 1.00 0.00 H new ATOM 0 HA GLU A 30 85.316 69.988 49.790 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.829 69.273 47.241 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.869 68.160 48.108 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.400 68.363 50.116 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.355 69.460 49.236 1.00 0.00 H new ATOM 491 N ASP A 31 86.060 70.910 46.650 1.00 0.00 N ATOM 492 CA ASP A 31 86.950 70.640 45.510 1.00 0.00 C ATOM 493 C ASP A 31 87.060 71.870 44.560 1.00 0.00 C ATOM 494 O ASP A 31 86.260 72.790 44.670 1.00 0.00 O ATOM 495 CB ASP A 31 86.420 69.400 44.740 1.00 0.00 C ATOM 496 CG ASP A 31 87.430 68.880 43.710 1.00 0.00 C ATOM 497 OD1 ASP A 31 88.550 69.330 43.690 1.00 0.00 O ATOM 498 OD2 ASP A 31 87.080 67.880 42.950 1.00 0.00 O ATOM 0 H ASP A 31 85.291 71.545 46.434 1.00 0.00 H new ATOM 0 HA ASP A 31 87.952 70.440 45.889 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.187 68.606 45.450 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.490 69.659 44.235 1.00 0.00 H new ATOM 503 N LYS A 32 88.010 71.960 43.610 1.00 0.00 N ATOM 504 CA LYS A 32 88.000 73.050 42.610 1.00 0.00 C ATOM 505 C LYS A 32 88.060 72.600 41.150 1.00 0.00 C ATOM 506 O LYS A 32 88.990 71.940 40.690 1.00 0.00 O ATOM 507 CB LYS A 32 89.090 74.050 42.940 1.00 0.00 C ATOM 508 CG LYS A 32 89.030 74.440 44.420 1.00 0.00 C ATOM 509 CD LYS A 32 90.160 75.380 44.780 1.00 0.00 C ATOM 510 CE LYS A 32 90.110 75.860 46.200 1.00 0.00 C ATOM 511 NZ LYS A 32 91.200 76.840 46.430 1.00 0.00 N ATOM 0 H LYS A 32 88.784 71.303 43.512 1.00 0.00 H new ATOM 0 HA LYS A 32 87.022 73.525 42.688 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.066 73.622 42.710 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.977 74.938 42.319 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.074 74.916 44.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.087 73.544 45.038 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.111 74.875 44.609 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.132 76.241 44.113 1.00 0.00 H new ATOM 0 HE2 LYS A 32 89.144 76.320 46.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.214 75.017 46.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 91.165 77.173 47.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.118 76.386 46.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.081 77.649 45.787 1.00 0.00 H new ATOM 525 N ARG A 33 86.980 72.900 40.420 1.00 0.00 N ATOM 526 CA ARG A 33 86.360 71.960 39.470 1.00 0.00 C ATOM 527 C ARG A 33 85.330 72.660 38.590 1.00 0.00 C ATOM 528 O ARG A 33 85.100 73.840 38.780 1.00 0.00 O ATOM 529 CB ARG A 33 85.720 70.820 40.260 1.00 0.00 C ATOM 530 CG ARG A 33 84.720 71.330 41.310 1.00 0.00 C ATOM 531 CD ARG A 33 84.120 70.130 42.000 1.00 0.00 C ATOM 532 NE ARG A 33 83.250 69.360 41.100 1.00 0.00 N ATOM 533 CZ ARG A 33 82.570 68.310 41.480 1.00 0.00 C ATOM 534 NH1 ARG A 33 82.630 67.910 42.710 1.00 0.00 N ATOM 535 NH2 ARG A 33 81.880 67.610 40.630 1.00 0.00 N ATOM 0 H ARG A 33 86.508 73.803 40.469 1.00 0.00 H new ATOM 0 HA ARG A 33 87.126 71.561 38.805 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.210 70.146 39.572 1.00 0.00 H new ATOM 0 HB3 ARG A 33 86.500 70.241 40.755 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.221 71.975 42.032 1.00 0.00 H new ATOM 0 HG3 ARG A 33 83.941 71.927 40.836 1.00 0.00 H new ATOM 0 HD2 ARG A 33 84.918 69.487 42.371 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.546 70.458 42.867 1.00 0.00 H new ATOM 0 HE ARG A 33 83.173 69.660 40.128 1.00 0.00 H new ATOM 0 HH11 ARG A 33 83.208 68.414 43.383 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.099 67.091 43.006 1.00 0.00 H new ATOM 0 HH21 ARG A 33 81.862 67.876 39.646 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.356 66.794 40.947 1.00 0.00 H new ATOM 549 N SER A 34 84.770 72.010 37.580 1.00 0.00 N ATOM 550 CA SER A 34 83.890 72.720 36.660 1.00 0.00 C ATOM 551 C SER A 34 82.670 71.870 36.420 1.00 0.00 C ATOM 552 O SER A 34 82.690 70.710 36.820 1.00 0.00 O ATOM 553 CB SER A 34 84.590 73.020 35.350 1.00 0.00 C ATOM 554 OG SER A 34 84.720 71.810 34.640 1.00 0.00 O ATOM 0 H SER A 34 84.903 71.019 37.378 1.00 0.00 H new ATOM 0 HA SER A 34 83.604 73.675 37.100 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.018 73.743 34.769 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.570 73.462 35.533 1.00 0.00 H new ATOM 0 HG SER A 34 85.110 71.988 33.759 1.00 0.00 H new ATOM 560 N ILE A 35 81.670 72.400 35.740 1.00 0.00 N ATOM 561 CA ILE A 35 80.500 71.640 35.400 1.00 0.00 C ATOM 562 C ILE A 35 80.040 72.030 34.020 1.00 0.00 C ATOM 563 O ILE A 35 80.400 73.070 33.460 1.00 0.00 O ATOM 564 CB ILE A 35 79.390 71.800 36.470 1.00 0.00 C ATOM 565 CG1 ILE A 35 78.920 73.240 36.530 1.00 0.00 C ATOM 566 CG2 ILE A 35 79.890 71.370 37.860 1.00 0.00 C ATOM 567 CD1 ILE A 35 77.660 73.410 37.380 1.00 0.00 C ATOM 0 H ILE A 35 81.654 73.366 35.413 1.00 0.00 H new ATOM 0 HA ILE A 35 80.746 70.578 35.387 1.00 0.00 H new ATOM 0 HB ILE A 35 78.559 71.155 36.183 1.00 0.00 H new ATOM 0 HG12 ILE A 35 79.716 73.862 36.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.723 73.597 35.519 1.00 0.00 H new ATOM 0 HG21 ILE A 35 79.089 71.494 38.589 1.00 0.00 H new ATOM 0 HG22 ILE A 35 80.195 70.324 37.830 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.741 71.987 38.148 1.00 0.00 H new ATOM 0 HD11 ILE A 35 77.366 74.460 37.389 1.00 0.00 H new ATOM 0 HD12 ILE A 35 76.853 72.811 36.958 1.00 0.00 H new ATOM 0 HD13 ILE A 35 77.861 73.080 38.399 1.00 0.00 H new ATOM 579 N PHE A 36 79.180 71.200 33.480 1.00 0.00 N ATOM 580 CA PHE A 36 78.330 71.530 32.350 1.00 0.00 C ATOM 581 C PHE A 36 76.900 71.560 32.840 1.00 0.00 C ATOM 582 O PHE A 36 76.510 70.750 33.680 1.00 0.00 O ATOM 583 CB PHE A 36 78.520 70.590 31.150 1.00 0.00 C ATOM 584 CG PHE A 36 79.860 70.670 30.530 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.970 70.070 31.150 1.00 0.00 C ATOM 586 CD2 PHE A 36 79.950 71.320 29.310 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.220 70.180 30.520 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.200 71.420 28.690 1.00 0.00 C ATOM 589 CZ PHE A 36 82.330 70.850 29.300 1.00 0.00 C ATOM 0 H PHE A 36 79.045 70.248 33.821 1.00 0.00 H new ATOM 0 HA PHE A 36 78.613 72.510 31.966 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.341 69.564 31.473 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.768 70.823 30.396 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.864 69.539 32.085 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.071 71.742 28.846 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.096 69.746 30.979 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.296 71.934 27.745 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.294 70.931 28.820 1.00 0.00 H new ATOM 599 N TYR A 37 76.070 72.400 32.260 1.00 0.00 N ATOM 600 CA TYR A 37 74.680 72.440 32.640 1.00 0.00 C ATOM 601 C TYR A 37 73.900 72.100 31.400 1.00 0.00 C ATOM 602 O TYR A 37 74.040 72.780 30.410 1.00 0.00 O ATOM 603 CB TYR A 37 74.260 73.810 33.170 1.00 0.00 C ATOM 604 CG TYR A 37 72.810 73.860 33.650 1.00 0.00 C ATOM 605 CD1 TYR A 37 71.990 72.720 33.650 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.260 75.040 34.140 1.00 0.00 C ATOM 607 CE1 TYR A 37 70.660 72.710 34.030 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.920 75.040 34.600 1.00 0.00 C ATOM 609 CZ TYR A 37 70.120 73.890 34.540 1.00 0.00 C ATOM 610 OH TYR A 37 68.840 73.870 35.000 1.00 0.00 O ATOM 0 H TYR A 37 76.334 73.060 31.528 1.00 0.00 H new ATOM 0 HA TYR A 37 74.493 71.736 33.451 1.00 0.00 H new ATOM 0 HB2 TYR A 37 74.917 74.089 33.994 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.400 74.553 32.385 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.428 71.786 33.331 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.848 75.946 34.169 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.060 71.817 33.935 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.504 75.949 35.008 1.00 0.00 H new ATOM 0 HH TYR A 37 68.596 74.761 35.327 1.00 0.00 H new ATOM 620 N PHE A 38 73.070 71.080 31.480 1.00 0.00 N ATOM 621 CA PHE A 38 72.260 70.540 30.440 1.00 0.00 C ATOM 622 C PHE A 38 70.830 70.970 30.730 1.00 0.00 C ATOM 623 O PHE A 38 70.020 70.260 31.370 1.00 0.00 O ATOM 624 CB PHE A 38 72.420 69.030 30.420 1.00 0.00 C ATOM 625 CG PHE A 38 73.810 68.470 30.450 1.00 0.00 C ATOM 626 CD1 PHE A 38 74.770 68.880 31.380 1.00 0.00 C ATOM 627 CD2 PHE A 38 74.160 67.430 29.580 1.00 0.00 C ATOM 628 CE1 PHE A 38 76.060 68.450 31.260 1.00 0.00 C ATOM 629 CE2 PHE A 38 75.450 66.910 29.580 1.00 0.00 C ATOM 630 CZ PHE A 38 76.460 67.480 30.360 1.00 0.00 C ATOM 0 H PHE A 38 72.944 70.573 32.356 1.00 0.00 H new ATOM 0 HA PHE A 38 72.549 70.902 29.453 1.00 0.00 H new ATOM 0 HB2 PHE A 38 71.878 68.625 31.275 1.00 0.00 H new ATOM 0 HB3 PHE A 38 71.927 68.654 29.523 1.00 0.00 H new ATOM 0 HD1 PHE A 38 74.492 69.536 32.192 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.421 67.028 28.903 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.808 68.891 31.902 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.675 66.050 28.966 1.00 0.00 H new ATOM 0 HZ PHE A 38 77.493 67.180 30.265 1.00 0.00 H new ATOM 640 N ALA A 39 70.450 72.130 30.200 1.00 0.00 N ATOM 641 CA ALA A 39 69.150 72.720 30.380 1.00 0.00 C ATOM 642 C ALA A 39 68.560 73.240 29.080 1.00 0.00 C ATOM 643 O ALA A 39 69.260 73.710 28.220 1.00 0.00 O ATOM 644 CB ALA A 39 69.240 73.840 31.420 1.00 0.00 C ATOM 0 H ALA A 39 71.068 72.694 29.616 1.00 0.00 H new ATOM 0 HA ALA A 39 68.476 71.940 30.734 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.256 74.288 31.558 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.588 73.429 32.368 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.940 74.601 31.076 1.00 0.00 H new ATOM 650 N PRO A 40 67.230 73.140 28.910 1.00 0.00 N ATOM 651 CA PRO A 40 66.700 72.420 27.770 1.00 0.00 C ATOM 652 C PRO A 40 67.100 72.970 26.400 1.00 0.00 C ATOM 653 O PRO A 40 67.000 74.190 26.260 1.00 0.00 O ATOM 654 CB PRO A 40 65.200 72.550 27.970 1.00 0.00 C ATOM 655 CG PRO A 40 65.030 72.560 29.480 1.00 0.00 C ATOM 656 CD PRO A 40 66.190 73.440 29.880 1.00 0.00 C ATOM 0 HA PRO A 40 67.089 71.402 27.745 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.815 73.465 27.519 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.663 71.719 27.513 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.070 72.975 29.787 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.099 71.562 29.912 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.915 74.494 29.853 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.521 73.223 30.896 1.00 0.00 H new ATOM 664 N THR A 41 67.230 72.150 25.350 1.00 0.00 N ATOM 665 CA THR A 41 67.060 72.750 24.010 1.00 0.00 C ATOM 666 C THR A 41 65.630 73.260 23.800 1.00 0.00 C ATOM 667 O THR A 41 65.380 74.360 23.320 1.00 0.00 O ATOM 668 CB THR A 41 67.330 71.720 22.940 1.00 0.00 C ATOM 669 OG1 THR A 41 68.640 71.340 22.900 1.00 0.00 O ATOM 670 CG2 THR A 41 67.080 72.270 21.560 1.00 0.00 C ATOM 0 H THR A 41 67.435 71.151 25.383 1.00 0.00 H new ATOM 0 HA THR A 41 67.763 73.581 23.943 1.00 0.00 H new ATOM 0 HB THR A 41 66.668 70.892 23.195 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.069 71.728 22.109 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.286 71.498 20.818 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.040 72.585 21.477 1.00 0.00 H new ATOM 0 HG23 THR A 41 67.733 73.125 21.385 1.00 0.00 H new ATOM 678 N ASN A 42 64.670 72.420 24.150 1.00 0.00 N ATOM 679 CA ASN A 42 63.280 72.490 23.690 1.00 0.00 C ATOM 680 C ASN A 42 62.550 73.690 24.290 1.00 0.00 C ATOM 681 O ASN A 42 61.690 74.290 23.660 1.00 0.00 O ATOM 682 CB ASN A 42 62.620 71.160 24.110 1.00 0.00 C ATOM 683 CG ASN A 42 63.190 69.960 23.360 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.880 70.070 22.370 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.980 68.780 23.890 1.00 0.00 N ATOM 0 H ASN A 42 64.836 71.640 24.785 1.00 0.00 H new ATOM 0 HA ASN A 42 63.233 72.627 22.610 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.757 71.013 25.181 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.546 71.219 23.931 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.398 67.950 23.469 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.399 68.691 24.723 1.00 0.00 H new ATOM 692 N ALA A 43 62.830 74.000 25.570 1.00 0.00 N ATOM 693 CA ALA A 43 62.170 75.070 26.300 1.00 0.00 C ATOM 694 C ALA A 43 62.900 76.400 26.320 1.00 0.00 C ATOM 695 O ALA A 43 62.250 77.430 26.390 1.00 0.00 O ATOM 696 CB ALA A 43 62.010 74.600 27.760 1.00 0.00 C ATOM 0 H ALA A 43 63.529 73.503 26.121 1.00 0.00 H new ATOM 0 HA ALA A 43 61.229 75.256 25.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.517 75.379 28.341 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.408 73.692 27.786 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.992 74.396 28.186 1.00 0.00 H new ATOM 702 N HIS A 44 64.230 76.320 26.440 1.00 0.00 N ATOM 703 CA HIS A 44 65.190 77.380 26.780 1.00 0.00 C ATOM 704 C HIS A 44 64.830 78.100 28.060 1.00 0.00 C ATOM 705 O HIS A 44 65.000 79.320 28.200 1.00 0.00 O ATOM 706 CB HIS A 44 65.340 78.360 25.610 1.00 0.00 C ATOM 707 CG HIS A 44 65.870 77.700 24.390 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.060 77.000 24.350 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.280 77.660 23.170 1.00 0.00 C ATOM 710 CE1 HIS A 44 67.150 76.550 23.100 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.130 76.960 22.350 1.00 0.00 N ATOM 0 H HIS A 44 64.707 75.431 26.288 1.00 0.00 H new ATOM 0 HA HIS A 44 66.153 76.902 26.959 1.00 0.00 H new ATOM 0 HB2 HIS A 44 64.372 78.808 25.387 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.007 79.171 25.901 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.329 78.093 22.897 1.00 0.00 H new ATOM 0 HE1 HIS A 44 67.954 75.927 22.738 1.00 0.00 H new ATOM 0 HE2 HIS A 44 66.003 76.787 21.353 1.00 0.00 H new ATOM 719 N LYS A 45 64.290 77.340 29.020 1.00 0.00 N ATOM 720 CA LYS A 45 63.650 77.890 30.210 1.00 0.00 C ATOM 721 C LYS A 45 64.560 77.820 31.400 1.00 0.00 C ATOM 722 O LYS A 45 64.840 78.830 32.040 1.00 0.00 O ATOM 723 CB LYS A 45 62.280 77.270 30.480 1.00 0.00 C ATOM 724 CG LYS A 45 61.600 77.920 31.690 1.00 0.00 C ATOM 725 CD LYS A 45 60.240 77.280 31.960 1.00 0.00 C ATOM 726 CE LYS A 45 59.580 77.870 33.190 1.00 0.00 C ATOM 727 NZ LYS A 45 58.360 77.100 33.580 1.00 0.00 N ATOM 0 H LYS A 45 64.287 76.320 28.988 1.00 0.00 H new ATOM 0 HA LYS A 45 63.461 78.945 30.013 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.647 77.385 29.600 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.391 76.200 30.655 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.236 77.816 32.569 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.475 78.988 31.512 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.592 77.422 31.095 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.363 76.205 32.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.289 77.874 34.018 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.310 78.908 32.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.933 77.531 34.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.674 77.117 32.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.623 76.116 33.788 1.00 0.00 H new ATOM 741 N ASP A 46 64.990 76.610 31.700 1.00 0.00 N ATOM 742 CA ASP A 46 65.890 76.390 32.830 1.00 0.00 C ATOM 743 C ASP A 46 67.250 77.010 32.590 1.00 0.00 C ATOM 744 O ASP A 46 67.780 77.590 33.520 1.00 0.00 O ATOM 745 CB ASP A 46 66.000 74.920 33.130 1.00 0.00 C ATOM 746 CG ASP A 46 64.740 74.320 33.760 1.00 0.00 C ATOM 747 OD1 ASP A 46 63.840 75.180 34.150 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.600 73.110 33.840 1.00 0.00 O ATOM 0 H ASP A 46 64.737 75.766 31.186 1.00 0.00 H new ATOM 0 HA ASP A 46 65.466 76.887 33.703 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.222 74.386 32.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.843 74.758 33.802 1.00 0.00 H new ATOM 753 N MET A 47 67.750 76.990 31.360 1.00 0.00 N ATOM 754 CA MET A 47 69.030 77.610 31.040 1.00 0.00 C ATOM 755 C MET A 47 68.990 79.140 31.250 1.00 0.00 C ATOM 756 O MET A 47 69.910 79.720 31.820 1.00 0.00 O ATOM 757 CB MET A 47 69.390 77.270 29.610 1.00 0.00 C ATOM 758 CG MET A 47 70.750 77.840 29.240 1.00 0.00 C ATOM 759 SD MET A 47 71.170 77.310 27.590 1.00 0.00 S ATOM 760 CE MET A 47 69.990 78.350 26.680 1.00 0.00 C ATOM 0 H MET A 47 67.286 76.549 30.565 1.00 0.00 H new ATOM 0 HA MET A 47 69.792 77.220 31.715 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.398 76.188 29.481 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.630 77.666 28.936 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.729 78.929 29.292 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.506 77.501 29.948 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.460 78.723 25.770 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.111 77.760 26.419 1.00 0.00 H new ATOM 0 HE3 MET A 47 69.690 79.191 27.305 1.00 0.00 H new ATOM 770 N LEU A 48 67.890 79.780 30.840 1.00 0.00 N ATOM 771 CA LEU A 48 67.640 81.210 31.070 1.00 0.00 C ATOM 772 C LEU A 48 67.650 81.520 32.570 1.00 0.00 C ATOM 773 O LEU A 48 68.200 82.510 33.020 1.00 0.00 O ATOM 774 CB LEU A 48 66.310 81.640 30.410 1.00 0.00 C ATOM 775 CG LEU A 48 65.990 83.130 30.600 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.010 84.010 29.930 1.00 0.00 C ATOM 777 CD2 LEU A 48 64.670 83.490 29.980 1.00 0.00 C ATOM 0 H LEU A 48 67.137 79.315 30.332 1.00 0.00 H new ATOM 0 HA LEU A 48 68.441 81.786 30.607 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.353 81.418 29.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 65.497 81.045 30.826 1.00 0.00 H new ATOM 0 HG LEU A 48 65.982 83.290 31.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.748 85.056 30.088 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.994 83.815 30.355 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.028 83.798 28.861 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.474 84.551 30.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.699 83.276 28.912 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.877 82.904 30.446 1.00 0.00 H new ATOM 789 N LYS A 49 67.000 80.660 33.340 1.00 0.00 N ATOM 790 CA LYS A 49 67.030 80.700 34.800 1.00 0.00 C ATOM 791 C LYS A 49 68.390 80.450 35.440 1.00 0.00 C ATOM 792 O LYS A 49 68.680 81.100 36.440 1.00 0.00 O ATOM 793 CB LYS A 49 66.000 79.700 35.300 1.00 0.00 C ATOM 794 CG LYS A 49 64.580 80.200 35.040 1.00 0.00 C ATOM 795 CD LYS A 49 64.300 81.430 35.910 1.00 0.00 C ATOM 796 CE LYS A 49 62.970 82.030 35.580 1.00 0.00 C ATOM 797 NZ LYS A 49 62.810 83.410 36.090 1.00 0.00 N ATOM 0 H LYS A 49 66.428 79.903 32.966 1.00 0.00 H new ATOM 0 HA LYS A 49 66.796 81.721 35.101 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.148 78.741 34.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.140 79.531 36.368 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.460 80.452 33.986 1.00 0.00 H new ATOM 0 HG3 LYS A 49 63.860 79.413 35.263 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.324 81.148 36.963 1.00 0.00 H new ATOM 0 HD3 LYS A 49 65.085 82.172 35.760 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.838 82.032 34.498 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.182 81.402 35.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.870 83.770 35.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.906 83.411 37.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 63.542 84.021 35.674 1.00 0.00 H new ATOM 811 N ALA A 50 69.190 79.590 34.860 1.00 0.00 N ATOM 812 CA ALA A 50 70.530 79.330 35.340 1.00 0.00 C ATOM 813 C ALA A 50 71.430 80.550 35.300 1.00 0.00 C ATOM 814 O ALA A 50 72.190 80.800 36.230 1.00 0.00 O ATOM 815 CB ALA A 50 71.100 78.250 34.440 1.00 0.00 C ATOM 0 H ALA A 50 68.931 79.046 34.037 1.00 0.00 H new ATOM 0 HA ALA A 50 70.483 79.030 36.387 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.115 78.011 34.756 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.480 77.356 34.506 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.115 78.605 33.410 1.00 0.00 H new ATOM 821 N VAL A 51 71.300 81.360 34.240 1.00 0.00 N ATOM 822 CA VAL A 51 72.100 82.580 34.090 1.00 0.00 C ATOM 823 C VAL A 51 71.870 83.490 35.280 1.00 0.00 C ATOM 824 O VAL A 51 72.800 84.040 35.870 1.00 0.00 O ATOM 825 CB VAL A 51 71.750 83.380 32.820 1.00 0.00 C ATOM 826 CG1 VAL A 51 72.600 84.640 32.680 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.040 82.560 31.610 1.00 0.00 C ATOM 0 H VAL A 51 70.648 81.191 33.474 1.00 0.00 H new ATOM 0 HA VAL A 51 73.139 82.257 34.019 1.00 0.00 H new ATOM 0 HB VAL A 51 70.696 83.643 32.906 1.00 0.00 H new ATOM 0 HG11 VAL A 51 72.317 85.170 31.771 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.437 85.286 33.543 1.00 0.00 H new ATOM 0 HG13 VAL A 51 73.653 84.364 32.627 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.791 83.131 30.715 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.098 82.300 31.592 1.00 0.00 H new ATOM 0 HG23 VAL A 51 71.443 81.648 31.637 1.00 0.00 H new ATOM 837 N ASP A 52 70.600 83.650 35.620 1.00 0.00 N ATOM 838 CA ASP A 52 70.200 84.490 36.710 1.00 0.00 C ATOM 839 C ASP A 52 70.680 83.950 38.040 1.00 0.00 C ATOM 840 O ASP A 52 71.210 84.710 38.840 1.00 0.00 O ATOM 841 CB ASP A 52 68.720 84.620 36.670 1.00 0.00 C ATOM 842 CG ASP A 52 68.160 85.400 35.500 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.000 86.110 34.800 1.00 0.00 O ATOM 844 OD2 ASP A 52 66.960 85.470 35.380 1.00 0.00 O ATOM 0 H ASP A 52 69.825 83.194 35.139 1.00 0.00 H new ATOM 0 HA ASP A 52 70.659 85.473 36.605 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.286 83.620 36.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.391 85.098 37.592 1.00 0.00 H new ATOM 849 N PHE A 53 70.570 82.640 38.270 1.00 0.00 N ATOM 850 CA PHE A 53 71.000 82.050 39.540 1.00 0.00 C ATOM 851 C PHE A 53 72.480 82.160 39.810 1.00 0.00 C ATOM 852 O PHE A 53 72.870 82.420 40.940 1.00 0.00 O ATOM 853 CB PHE A 53 70.590 80.580 39.570 1.00 0.00 C ATOM 854 CG PHE A 53 69.090 80.420 39.520 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.230 81.380 40.060 1.00 0.00 C ATOM 856 CD2 PHE A 53 68.540 79.300 38.900 1.00 0.00 C ATOM 857 CE1 PHE A 53 66.850 81.220 39.950 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.180 79.090 38.810 1.00 0.00 C ATOM 859 CZ PHE A 53 66.340 80.090 39.290 1.00 0.00 C ATOM 0 H PHE A 53 70.190 81.972 37.600 1.00 0.00 H new ATOM 0 HA PHE A 53 70.507 82.623 40.326 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.040 80.059 38.725 1.00 0.00 H new ATOM 0 HB3 PHE A 53 70.976 80.112 40.476 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.635 82.246 40.563 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.206 78.566 38.472 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.180 81.957 40.368 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.781 78.182 38.382 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.273 79.995 39.152 1.00 0.00 H new ATOM 869 N PHE A 54 73.270 82.000 38.760 1.00 0.00 N ATOM 870 CA PHE A 54 74.720 82.030 38.890 1.00 0.00 C ATOM 871 C PHE A 54 75.210 83.390 39.330 1.00 0.00 C ATOM 872 O PHE A 54 76.150 83.540 40.090 1.00 0.00 O ATOM 873 CB PHE A 54 75.340 81.620 37.570 1.00 0.00 C ATOM 874 CG PHE A 54 75.050 80.150 37.250 1.00 0.00 C ATOM 875 CD1 PHE A 54 74.550 79.240 38.170 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.300 79.640 35.990 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.320 77.920 37.770 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.040 78.360 35.530 1.00 0.00 C ATOM 879 CZ PHE A 54 74.550 77.470 36.460 1.00 0.00 C ATOM 0 H PHE A 54 72.933 81.848 37.809 1.00 0.00 H new ATOM 0 HA PHE A 54 75.023 81.326 39.665 1.00 0.00 H new ATOM 0 HB2 PHE A 54 74.951 82.252 36.771 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.418 81.780 37.607 1.00 0.00 H new ATOM 0 HD1 PHE A 54 74.341 79.548 39.184 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.751 80.319 35.281 1.00 0.00 H new ATOM 0 HE1 PHE A 54 73.949 77.216 38.500 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.211 78.076 34.502 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.346 76.445 36.187 1.00 0.00 H new ATOM 889 N LYS A 55 74.530 84.420 38.860 1.00 0.00 N ATOM 890 CA LYS A 55 74.700 85.770 39.320 1.00 0.00 C ATOM 891 C LYS A 55 74.060 86.070 40.660 1.00 0.00 C ATOM 892 O LYS A 55 74.630 86.900 41.360 1.00 0.00 O ATOM 893 CB LYS A 55 74.070 86.640 38.290 1.00 0.00 C ATOM 894 CG LYS A 55 74.760 86.640 36.940 1.00 0.00 C ATOM 895 CD LYS A 55 73.990 87.520 35.950 1.00 0.00 C ATOM 896 CE LYS A 55 74.700 87.500 34.630 1.00 0.00 C ATOM 897 NZ LYS A 55 74.020 88.290 33.600 1.00 0.00 N ATOM 0 H LYS A 55 73.826 84.329 38.127 1.00 0.00 H new ATOM 0 HA LYS A 55 75.767 85.944 39.461 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.036 86.324 38.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.043 87.662 38.667 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.781 87.007 37.046 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.825 85.622 36.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 72.970 87.154 35.835 1.00 0.00 H new ATOM 0 HD3 LYS A 55 73.922 88.541 36.326 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.712 87.882 34.763 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.790 86.469 34.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.557 88.238 32.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.063 87.913 33.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.956 89.281 33.908 1.00 0.00 H new ATOM 911 N GLU A 56 72.920 85.500 41.020 1.00 0.00 N ATOM 912 CA GLU A 56 72.360 85.680 42.370 1.00 0.00 C ATOM 913 C GLU A 56 73.300 85.110 43.450 1.00 0.00 C ATOM 914 O GLU A 56 73.340 85.610 44.570 1.00 0.00 O ATOM 915 CB GLU A 56 71.010 84.970 42.490 1.00 0.00 C ATOM 916 CG GLU A 56 69.910 85.640 41.670 1.00 0.00 C ATOM 917 CD GLU A 56 68.550 84.920 41.820 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.480 83.900 42.550 1.00 0.00 O ATOM 919 OE2 GLU A 56 67.530 85.420 41.290 1.00 0.00 O ATOM 0 H GLU A 56 72.359 84.909 40.406 1.00 0.00 H new ATOM 0 HA GLU A 56 72.239 86.752 42.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.119 83.935 42.165 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.711 84.945 43.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.806 86.679 41.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.199 85.652 40.619 1.00 0.00 H new ATOM 926 N LYS A 57 74.040 84.040 43.110 1.00 0.00 N ATOM 927 CA LYS A 57 74.900 83.270 44.040 1.00 0.00 C ATOM 928 C LYS A 57 76.390 83.110 43.630 1.00 0.00 C ATOM 929 O LYS A 57 76.720 82.750 42.520 1.00 0.00 O ATOM 930 CB LYS A 57 74.250 81.910 44.250 1.00 0.00 C ATOM 931 CG LYS A 57 72.970 82.060 45.080 1.00 0.00 C ATOM 932 CD LYS A 57 72.390 80.690 45.380 1.00 0.00 C ATOM 933 CE LYS A 57 71.100 80.790 46.180 1.00 0.00 C ATOM 934 NZ LYS A 57 70.590 79.460 46.560 1.00 0.00 N ATOM 0 H LYS A 57 74.060 83.674 42.158 1.00 0.00 H new ATOM 0 HA LYS A 57 74.959 83.852 44.959 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.017 81.457 43.286 1.00 0.00 H new ATOM 0 HB3 LYS A 57 74.945 81.241 44.757 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.188 82.585 46.010 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.242 82.663 44.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.199 80.163 44.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.119 80.100 45.936 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.274 81.383 47.078 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.347 81.314 45.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.550 79.479 46.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 70.912 78.754 45.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 70.948 79.208 47.503 1.00 0.00 H new ATOM 948 N GLY A 58 77.310 83.190 44.590 1.00 0.00 N ATOM 949 CA GLY A 58 78.730 83.570 44.420 1.00 0.00 C ATOM 950 C GLY A 58 79.730 82.490 43.970 1.00 0.00 C ATOM 951 O GLY A 58 80.830 82.810 43.550 1.00 0.00 O ATOM 0 H GLY A 58 77.083 82.982 45.562 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.771 84.383 43.695 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.082 83.972 45.370 1.00 0.00 H new ATOM 955 N HIS A 59 79.460 81.200 44.030 1.00 0.00 N ATOM 956 CA HIS A 59 80.600 80.250 44.070 1.00 0.00 C ATOM 957 C HIS A 59 81.330 79.970 42.740 1.00 0.00 C ATOM 958 O HIS A 59 82.530 79.650 42.740 1.00 0.00 O ATOM 959 CB HIS A 59 80.070 78.970 44.650 1.00 0.00 C ATOM 960 CG HIS A 59 79.670 79.080 46.090 1.00 0.00 C ATOM 961 ND1 HIS A 59 80.600 79.000 47.120 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.430 79.290 46.620 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.930 79.200 48.250 1.00 0.00 C ATOM 964 NE2 HIS A 59 78.630 79.400 47.980 1.00 0.00 N ATOM 0 H HIS A 59 78.528 80.785 44.052 1.00 0.00 H new ATOM 0 HA HIS A 59 81.376 80.722 44.673 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.208 78.647 44.067 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.830 78.195 44.552 1.00 0.00 H new ATOM 0 HD1 HIS A 59 81.600 78.823 47.027 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.492 79.356 46.088 1.00 0.00 H new ATOM 0 HE1 HIS A 59 80.366 79.201 49.238 1.00 0.00 H new ATOM 972 N THR A 60 80.650 80.060 41.600 1.00 0.00 N ATOM 973 CA THR A 60 81.320 79.900 40.310 1.00 0.00 C ATOM 974 C THR A 60 82.320 81.020 40.130 1.00 0.00 C ATOM 975 O THR A 60 82.140 82.150 40.610 1.00 0.00 O ATOM 976 CB THR A 60 80.360 79.820 39.130 1.00 0.00 C ATOM 977 OG1 THR A 60 81.070 79.420 38.000 1.00 0.00 O ATOM 978 CG2 THR A 60 79.750 81.170 38.800 1.00 0.00 C ATOM 0 H THR A 60 79.648 80.241 41.541 1.00 0.00 H new ATOM 0 HA THR A 60 81.835 78.939 40.324 1.00 0.00 H new ATOM 0 HB THR A 60 79.570 79.119 39.402 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.948 79.079 38.269 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.072 81.066 37.953 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.197 81.540 39.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 80.542 81.875 38.547 1.00 0.00 H new ATOM 986 N ALA A 61 83.430 80.720 39.480 1.00 0.00 N ATOM 987 CA ALA A 61 84.300 81.780 39.030 1.00 0.00 C ATOM 988 C ALA A 61 83.690 82.480 37.860 1.00 0.00 C ATOM 989 O ALA A 61 83.810 83.700 37.740 1.00 0.00 O ATOM 990 CB ALA A 61 85.610 81.190 38.650 1.00 0.00 C ATOM 0 H ALA A 61 83.741 79.774 39.258 1.00 0.00 H new ATOM 0 HA ALA A 61 84.442 82.508 39.829 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.279 81.979 38.307 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.049 80.692 39.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.464 80.465 37.849 1.00 0.00 H new ATOM 996 N TYR A 62 83.050 81.690 37.000 1.00 0.00 N ATOM 997 CA TYR A 62 82.440 82.230 35.820 1.00 0.00 C ATOM 998 C TYR A 62 81.430 81.290 35.180 1.00 0.00 C ATOM 999 O TYR A 62 81.540 80.070 35.330 1.00 0.00 O ATOM 1000 CB TYR A 62 83.590 82.410 34.850 1.00 0.00 C ATOM 1001 CG TYR A 62 83.280 83.380 33.730 1.00 0.00 C ATOM 1002 CD1 TYR A 62 83.200 84.740 34.050 1.00 0.00 C ATOM 1003 CD2 TYR A 62 83.030 82.930 32.420 1.00 0.00 C ATOM 1004 CE1 TYR A 62 82.850 85.660 33.060 1.00 0.00 C ATOM 1005 CE2 TYR A 62 82.730 83.860 31.410 1.00 0.00 C ATOM 1006 CZ TYR A 62 82.640 85.230 31.750 1.00 0.00 C ATOM 1007 OH TYR A 62 82.520 86.200 30.820 1.00 0.00 O ATOM 0 H TYR A 62 82.949 80.681 37.110 1.00 0.00 H new ATOM 0 HA TYR A 62 81.898 83.143 36.068 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.465 82.763 35.396 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.850 81.442 34.422 1.00 0.00 H new ATOM 0 HD1 TYR A 62 83.407 85.075 35.055 1.00 0.00 H new ATOM 0 HD2 TYR A 62 83.069 81.875 32.192 1.00 0.00 H new ATOM 0 HE1 TYR A 62 82.742 86.705 33.309 1.00 0.00 H new ATOM 0 HE2 TYR A 62 82.571 83.534 30.393 1.00 0.00 H new ATOM 0 HH TYR A 62 82.377 85.793 29.940 1.00 0.00 H new ATOM 1017 N LEU A 63 80.590 81.800 34.280 1.00 0.00 N ATOM 1018 CA LEU A 63 79.870 80.910 33.390 1.00 0.00 C ATOM 1019 C LEU A 63 79.890 81.400 31.950 1.00 0.00 C ATOM 1020 O LEU A 63 79.790 82.600 31.690 1.00 0.00 O ATOM 1021 CB LEU A 63 78.440 80.710 33.890 1.00 0.00 C ATOM 1022 CG LEU A 63 77.590 81.990 33.740 1.00 0.00 C ATOM 1023 CD1 LEU A 63 76.110 81.740 33.840 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.980 83.050 34.780 1.00 0.00 C ATOM 0 H LEU A 63 80.399 82.794 34.154 1.00 0.00 H new ATOM 0 HA LEU A 63 80.380 79.947 33.397 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.972 79.897 33.335 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.461 80.410 34.938 1.00 0.00 H new ATOM 0 HG LEU A 63 77.804 82.354 32.735 1.00 0.00 H new ATOM 0 HD11 LEU A 63 75.573 82.682 33.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 75.804 81.050 33.054 1.00 0.00 H new ATOM 0 HD13 LEU A 63 75.879 81.307 34.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 77.361 83.937 34.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.827 82.650 35.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.029 83.316 34.652 1.00 0.00 H new ATOM 1036 N ASP A 64 79.880 80.450 31.020 1.00 0.00 N ATOM 1037 CA ASP A 64 79.610 80.740 29.640 1.00 0.00 C ATOM 1038 C ASP A 64 79.200 79.510 28.840 1.00 0.00 C ATOM 1039 O ASP A 64 79.370 78.380 29.270 1.00 0.00 O ATOM 1040 CB ASP A 64 80.820 81.390 29.000 1.00 0.00 C ATOM 1041 CG ASP A 64 80.420 82.260 27.820 1.00 0.00 C ATOM 1042 OD1 ASP A 64 79.120 82.380 27.550 1.00 0.00 O ATOM 1043 OD2 ASP A 64 81.260 82.880 27.250 1.00 0.00 O ATOM 0 H ASP A 64 80.060 79.465 31.214 1.00 0.00 H new ATOM 0 HA ASP A 64 78.763 81.425 29.624 1.00 0.00 H new ATOM 0 HB2 ASP A 64 81.344 81.995 29.740 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.516 80.620 28.667 1.00 0.00 H new ATOM 1048 N GLU A 65 78.570 79.720 27.690 1.00 0.00 N ATOM 1049 CA GLU A 65 77.980 78.660 26.880 1.00 0.00 C ATOM 1050 C GLU A 65 79.000 77.630 26.400 1.00 0.00 C ATOM 1051 O GLU A 65 80.170 77.950 26.220 1.00 0.00 O ATOM 1052 CB GLU A 65 77.290 79.310 25.690 1.00 0.00 C ATOM 1053 CG GLU A 65 78.220 80.000 24.710 1.00 0.00 C ATOM 1054 CD GLU A 65 77.500 80.700 23.540 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.240 80.720 23.470 1.00 0.00 O ATOM 1056 OE2 GLU A 65 78.210 81.320 22.710 1.00 0.00 O ATOM 0 H GLU A 65 78.453 80.649 27.287 1.00 0.00 H new ATOM 0 HA GLU A 65 77.271 78.111 27.500 1.00 0.00 H new ATOM 0 HB2 GLU A 65 76.724 78.547 25.156 1.00 0.00 H new ATOM 0 HB3 GLU A 65 76.570 80.040 26.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 78.815 80.737 25.249 1.00 0.00 H new ATOM 0 HG3 GLU A 65 78.915 79.264 24.306 1.00 0.00 H new ATOM 1063 N VAL A 66 78.580 76.410 26.030 1.00 0.00 N ATOM 1064 CA VAL A 66 79.390 75.730 25.030 1.00 0.00 C ATOM 1065 C VAL A 66 79.030 76.240 23.640 1.00 0.00 C ATOM 1066 O VAL A 66 77.860 76.160 23.290 1.00 0.00 O ATOM 1067 CB VAL A 66 79.190 74.220 25.100 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.030 73.540 24.010 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.650 73.690 26.460 1.00 0.00 C ATOM 0 H VAL A 66 77.758 75.915 26.376 1.00 0.00 H new ATOM 0 HA VAL A 66 80.439 75.944 25.234 1.00 0.00 H new ATOM 0 HB VAL A 66 78.132 74.003 24.957 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.887 72.461 24.061 1.00 0.00 H new ATOM 0 HG12 VAL A 66 79.717 73.902 23.031 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.084 73.774 24.164 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.503 72.611 26.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.707 73.917 26.601 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.069 74.164 27.251 1.00 0.00 H new ATOM 1079 N ARG A 67 79.950 76.560 22.730 1.00 0.00 N ATOM 1080 CA ARG A 67 79.570 76.590 21.300 1.00 0.00 C ATOM 1081 C ARG A 67 79.630 75.220 20.600 1.00 0.00 C ATOM 1082 O ARG A 67 80.490 74.970 19.780 1.00 0.00 O ATOM 1083 CB ARG A 67 80.390 77.610 20.580 1.00 0.00 C ATOM 1084 CG ARG A 67 80.160 79.060 21.040 1.00 0.00 C ATOM 1085 CD ARG A 67 81.030 80.070 20.290 1.00 0.00 C ATOM 1086 NE ARG A 67 80.750 81.450 20.700 1.00 0.00 N ATOM 1087 CZ ARG A 67 79.700 82.130 20.290 1.00 0.00 C ATOM 1088 NH1 ARG A 67 78.880 81.600 19.420 1.00 0.00 N ATOM 1089 NH2 ARG A 67 79.510 83.360 20.670 1.00 0.00 N ATOM 0 H ARG A 67 80.922 76.794 22.933 1.00 0.00 H new ATOM 0 HA ARG A 67 78.518 76.873 21.263 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.444 77.365 20.708 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.175 77.543 19.514 1.00 0.00 H new ATOM 0 HG2 ARG A 67 79.110 79.318 20.899 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.366 79.134 22.108 1.00 0.00 H new ATOM 0 HD2 ARG A 67 82.082 79.845 20.469 1.00 0.00 H new ATOM 0 HD3 ARG A 67 80.860 79.969 19.218 1.00 0.00 H new ATOM 0 HE ARG A 67 81.403 81.907 21.336 1.00 0.00 H new ATOM 0 HH11 ARG A 67 79.055 80.662 19.061 1.00 0.00 H new ATOM 0 HH12 ARG A 67 78.066 82.125 19.101 1.00 0.00 H new ATOM 0 HH21 ARG A 67 80.180 83.810 21.294 1.00 0.00 H new ATOM 0 HH22 ARG A 67 78.692 83.874 20.344 1.00 0.00 H new ATOM 1103 N VAL A 68 78.760 74.300 21.010 1.00 0.00 N ATOM 1104 CA VAL A 68 77.690 73.610 20.230 1.00 0.00 C ATOM 1105 C VAL A 68 76.330 74.270 20.440 1.00 0.00 C ATOM 1106 O VAL A 68 75.310 73.720 20.040 1.00 0.00 O ATOM 1107 CB VAL A 68 77.540 72.130 20.660 1.00 0.00 C ATOM 1108 CG1 VAL A 68 78.830 71.420 20.340 1.00 0.00 C ATOM 1109 CG2 VAL A 68 77.300 72.020 22.180 1.00 0.00 C ATOM 0 H VAL A 68 78.772 73.978 21.978 1.00 0.00 H new ATOM 0 HA VAL A 68 77.992 73.678 19.185 1.00 0.00 H new ATOM 0 HB VAL A 68 76.693 71.691 20.134 1.00 0.00 H new ATOM 0 HG11 VAL A 68 78.752 70.373 20.633 1.00 0.00 H new ATOM 0 HG12 VAL A 68 79.024 71.483 19.269 1.00 0.00 H new ATOM 0 HG13 VAL A 68 79.649 71.889 20.885 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.198 70.971 22.457 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.144 72.456 22.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.388 72.555 22.444 1.00 0.00 H new ATOM 1119 N SER A 69 76.300 75.430 21.090 1.00 0.00 N ATOM 1120 CA SER A 69 75.070 76.100 21.460 1.00 0.00 C ATOM 1121 C SER A 69 74.330 76.490 20.220 1.00 0.00 C ATOM 1122 O SER A 69 73.140 76.310 20.160 1.00 0.00 O ATOM 1123 CB SER A 69 75.340 77.400 22.220 1.00 0.00 C ATOM 1124 OG SER A 69 76.100 78.290 21.420 1.00 0.00 O ATOM 0 H SER A 69 77.141 75.932 21.375 1.00 0.00 H new ATOM 0 HA SER A 69 74.505 75.410 22.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.396 77.868 22.500 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.875 77.184 23.145 1.00 0.00 H new ATOM 0 HG SER A 69 75.876 79.214 21.656 1.00 0.00 H new ATOM 1130 N THR A 70 75.040 77.020 19.220 1.00 0.00 N ATOM 1131 CA THR A 70 74.390 77.620 18.080 1.00 0.00 C ATOM 1132 C THR A 70 73.490 76.590 17.440 1.00 0.00 C ATOM 1133 O THR A 70 72.350 76.910 17.080 1.00 0.00 O ATOM 1134 CB THR A 70 75.370 78.220 17.060 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.070 77.200 16.390 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.410 79.120 17.730 1.00 0.00 C ATOM 0 H THR A 70 76.059 77.040 19.188 1.00 0.00 H new ATOM 0 HA THR A 70 73.801 78.466 18.436 1.00 0.00 H new ATOM 0 HB THR A 70 74.770 78.806 16.364 1.00 0.00 H new ATOM 0 HG1 THR A 70 76.689 77.598 15.743 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.083 79.524 16.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.906 79.940 18.242 1.00 0.00 H new ATOM 0 HG23 THR A 70 76.983 78.539 18.452 1.00 0.00 H new ATOM 1144 N ASP A 71 74.030 75.380 17.440 1.00 0.00 N ATOM 1145 CA ASP A 71 73.480 74.170 16.880 1.00 0.00 C ATOM 1146 C ASP A 71 72.470 73.420 17.740 1.00 0.00 C ATOM 1147 O ASP A 71 71.440 73.010 17.210 1.00 0.00 O ATOM 1148 CB ASP A 71 74.640 73.300 16.450 1.00 0.00 C ATOM 1149 CG ASP A 71 75.450 73.930 15.300 1.00 0.00 C ATOM 1150 OD1 ASP A 71 74.940 74.980 14.710 1.00 0.00 O ATOM 1151 OD2 ASP A 71 76.560 73.520 15.050 1.00 0.00 O ATOM 0 H ASP A 71 74.940 75.214 17.869 1.00 0.00 H new ATOM 0 HA ASP A 71 72.863 74.461 16.030 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.297 73.128 17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.264 72.326 16.136 1.00 0.00 H new ATOM 1156 N GLU A 72 72.690 73.290 19.040 1.00 0.00 N ATOM 1157 CA GLU A 72 71.850 72.460 19.910 1.00 0.00 C ATOM 1158 C GLU A 72 71.250 73.240 21.080 1.00 0.00 C ATOM 1159 O GLU A 72 70.160 72.940 21.510 1.00 0.00 O ATOM 1160 CB GLU A 72 72.640 71.290 20.490 1.00 0.00 C ATOM 1161 CG GLU A 72 73.050 70.270 19.420 1.00 0.00 C ATOM 1162 CD GLU A 72 73.880 69.140 20.020 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.220 69.220 21.220 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.310 68.270 19.220 1.00 0.00 O ATOM 0 H GLU A 72 73.455 73.755 19.528 1.00 0.00 H new ATOM 0 HA GLU A 72 71.043 72.102 19.271 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.533 71.669 20.987 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.039 70.792 21.251 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.159 69.858 18.947 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.623 70.770 18.639 1.00 0.00 H new ATOM 1171 N LYS A 73 71.880 74.320 21.560 1.00 0.00 N ATOM 1172 CA LYS A 73 71.520 75.090 22.770 1.00 0.00 C ATOM 1173 C LYS A 73 71.170 74.270 24.030 1.00 0.00 C ATOM 1174 O LYS A 73 70.140 74.530 24.650 1.00 0.00 O ATOM 1175 CB LYS A 73 70.340 76.010 22.480 1.00 0.00 C ATOM 1176 CG LYS A 73 70.660 77.140 21.510 1.00 0.00 C ATOM 1177 CD LYS A 73 69.440 77.980 21.170 1.00 0.00 C ATOM 1178 CE LYS A 73 69.850 79.130 20.250 1.00 0.00 C ATOM 1179 NZ LYS A 73 68.670 79.950 19.950 1.00 0.00 N ATOM 0 H LYS A 73 72.701 74.706 21.093 1.00 0.00 H new ATOM 0 HA LYS A 73 72.436 75.632 23.003 1.00 0.00 H new ATOM 0 HB2 LYS A 73 69.521 75.417 22.073 1.00 0.00 H new ATOM 0 HB3 LYS A 73 69.988 76.439 23.418 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.428 77.780 21.944 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.075 76.721 20.593 1.00 0.00 H new ATOM 0 HD2 LYS A 73 68.685 77.363 20.683 1.00 0.00 H new ATOM 0 HD3 LYS A 73 68.991 78.373 22.082 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.619 79.738 20.728 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.280 78.739 19.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 68.942 80.735 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 67.951 79.365 19.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 68.279 80.333 20.835 1.00 0.00 H new ATOM 1193 N ASP A 74 71.990 73.330 24.460 1.00 0.00 N ATOM 1194 CA ASP A 74 71.660 72.620 25.710 1.00 0.00 C ATOM 1195 C ASP A 74 72.490 73.120 26.890 1.00 0.00 C ATOM 1196 O ASP A 74 72.050 73.170 28.030 1.00 0.00 O ATOM 1197 CB ASP A 74 71.880 71.130 25.510 1.00 0.00 C ATOM 1198 CG ASP A 74 70.900 70.470 24.580 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.680 70.410 25.090 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.260 69.950 23.570 1.00 0.00 O ATOM 0 H ASP A 74 72.852 73.040 23.999 1.00 0.00 H new ATOM 0 HA ASP A 74 70.614 72.817 25.946 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.888 70.974 25.125 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.829 70.636 26.480 1.00 0.00 H new ATOM 1205 N PHE A 75 73.750 73.450 26.600 1.00 0.00 N ATOM 1206 CA PHE A 75 74.860 73.150 27.470 1.00 0.00 C ATOM 1207 C PHE A 75 75.530 74.480 27.790 1.00 0.00 C ATOM 1208 O PHE A 75 75.980 75.170 26.880 1.00 0.00 O ATOM 1209 CB PHE A 75 75.850 72.140 26.860 1.00 0.00 C ATOM 1210 CG PHE A 75 75.270 70.810 26.460 1.00 0.00 C ATOM 1211 CD1 PHE A 75 74.480 70.080 27.360 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.480 70.310 25.160 1.00 0.00 C ATOM 1213 CE1 PHE A 75 73.870 68.890 26.930 1.00 0.00 C ATOM 1214 CE2 PHE A 75 74.910 69.090 24.760 1.00 0.00 C ATOM 1215 CZ PHE A 75 74.100 68.370 25.650 1.00 0.00 C ATOM 0 H PHE A 75 74.018 73.937 25.745 1.00 0.00 H new ATOM 0 HA PHE A 75 74.501 72.662 28.376 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.307 72.594 25.981 1.00 0.00 H new ATOM 0 HB3 PHE A 75 76.649 71.964 27.580 1.00 0.00 H new ATOM 0 HD1 PHE A 75 74.342 70.429 28.373 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.086 70.871 24.463 1.00 0.00 H new ATOM 0 HE1 PHE A 75 73.208 68.364 27.602 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.095 68.707 23.767 1.00 0.00 H new ATOM 0 HZ PHE A 75 73.660 67.429 25.353 1.00 0.00 H new ATOM 1225 N LEU A 76 75.600 74.830 29.070 1.00 0.00 N ATOM 1226 CA LEU A 76 76.520 75.850 29.590 1.00 0.00 C ATOM 1227 C LEU A 76 77.760 75.140 30.100 1.00 0.00 C ATOM 1228 O LEU A 76 77.670 73.990 30.520 1.00 0.00 O ATOM 1229 CB LEU A 76 75.880 76.640 30.750 1.00 0.00 C ATOM 1230 CG LEU A 76 74.580 77.330 30.340 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.950 77.950 31.580 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.850 78.430 29.310 1.00 0.00 C ATOM 0 H LEU A 76 75.013 74.410 29.791 1.00 0.00 H new ATOM 0 HA LEU A 76 76.763 76.555 28.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.682 75.963 31.581 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.587 77.388 31.110 1.00 0.00 H new ATOM 0 HG LEU A 76 73.911 76.595 29.893 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.020 78.447 31.305 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.742 77.169 32.311 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.637 78.678 32.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 73.910 78.907 29.033 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.522 79.173 29.739 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.310 77.993 28.424 1.00 0.00 H new ATOM 1244 N TYR A 77 78.890 75.830 30.090 1.00 0.00 N ATOM 1245 CA TYR A 77 80.120 75.450 30.750 1.00 0.00 C ATOM 1246 C TYR A 77 80.390 76.410 31.920 1.00 0.00 C ATOM 1247 O TYR A 77 80.670 77.590 31.730 1.00 0.00 O ATOM 1248 CB TYR A 77 81.270 75.440 29.740 1.00 0.00 C ATOM 1249 CG TYR A 77 82.550 74.910 30.340 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.540 73.680 31.040 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.740 75.650 30.240 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.700 73.200 31.650 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.920 75.160 30.840 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.880 73.950 31.580 1.00 0.00 C ATOM 1255 OH TYR A 77 85.970 73.430 32.180 1.00 0.00 O ATOM 0 H TYR A 77 78.973 76.717 29.593 1.00 0.00 H new ATOM 0 HA TYR A 77 80.032 74.442 31.156 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.992 74.828 28.882 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.436 76.452 29.370 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.626 73.108 31.103 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.752 76.589 29.707 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.687 72.255 32.173 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.848 75.703 30.736 1.00 0.00 H new ATOM 0 HH TYR A 77 86.729 74.039 32.064 1.00 0.00 H new ATOM 1265 N GLU A 78 80.280 75.910 33.140 1.00 0.00 N ATOM 1266 CA GLU A 78 80.420 76.730 34.350 1.00 0.00 C ATOM 1267 C GLU A 78 81.700 76.340 35.080 1.00 0.00 C ATOM 1268 O GLU A 78 81.960 75.150 35.270 1.00 0.00 O ATOM 1269 CB GLU A 78 79.230 76.490 35.270 1.00 0.00 C ATOM 1270 CG GLU A 78 79.260 77.390 36.490 1.00 0.00 C ATOM 1271 CD GLU A 78 78.020 77.230 37.360 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.260 76.280 37.130 1.00 0.00 O ATOM 1273 OE2 GLU A 78 77.910 78.000 38.330 1.00 0.00 O ATOM 0 H GLU A 78 80.091 74.925 33.328 1.00 0.00 H new ATOM 0 HA GLU A 78 80.460 77.783 34.070 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.306 76.660 34.718 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.224 75.448 35.589 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.147 77.166 37.082 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.345 78.429 36.170 1.00 0.00 H new ATOM 1280 N LEU A 79 82.530 77.290 35.530 1.00 0.00 N ATOM 1281 CA LEU A 79 83.820 76.920 36.120 1.00 0.00 C ATOM 1282 C LEU A 79 83.830 77.340 37.560 1.00 0.00 C ATOM 1283 O LEU A 79 83.590 78.510 37.830 1.00 0.00 O ATOM 1284 CB LEU A 79 85.020 77.530 35.400 1.00 0.00 C ATOM 1285 CG LEU A 79 85.030 77.220 33.910 1.00 0.00 C ATOM 1286 CD1 LEU A 79 83.930 77.970 33.150 1.00 0.00 C ATOM 1287 CD2 LEU A 79 86.330 77.670 33.340 1.00 0.00 C ATOM 0 H LEU A 79 82.339 78.291 35.499 1.00 0.00 H new ATOM 0 HA LEU A 79 83.921 75.839 36.020 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.013 78.611 35.542 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.939 77.155 35.851 1.00 0.00 H new ATOM 0 HG LEU A 79 84.869 76.147 33.802 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.980 77.715 32.092 1.00 0.00 H new ATOM 0 HD12 LEU A 79 82.955 77.686 33.546 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.072 79.044 33.271 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.353 77.455 32.272 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.444 78.743 33.496 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.146 77.143 33.834 1.00 0.00 H new ATOM 1299 N HIS A 80 84.080 76.440 38.500 1.00 0.00 N ATOM 1300 CA HIS A 80 83.850 76.750 39.910 1.00 0.00 C ATOM 1301 C HIS A 80 85.190 76.920 40.540 1.00 0.00 C ATOM 1302 O HIS A 80 86.000 76.000 40.460 1.00 0.00 O ATOM 1303 CB HIS A 80 83.070 75.670 40.650 1.00 0.00 C ATOM 1304 CG HIS A 80 81.690 75.430 40.130 1.00 0.00 C ATOM 1305 ND1 HIS A 80 80.710 74.760 40.840 1.00 0.00 N ATOM 1306 CD2 HIS A 80 81.180 75.810 38.930 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.640 74.720 40.040 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.890 75.370 38.900 1.00 0.00 N ATOM 0 H HIS A 80 84.437 75.502 38.320 1.00 0.00 H new ATOM 0 HA HIS A 80 83.241 77.652 39.973 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.630 74.737 40.599 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.004 75.945 41.703 1.00 0.00 H new ATOM 0 HD1 HIS A 80 80.788 74.375 41.781 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.695 76.354 38.152 1.00 0.00 H new ATOM 0 HE1 HIS A 80 78.707 74.232 40.281 1.00 0.00 H new ATOM 1316 N ILE A 81 85.420 78.090 41.120 1.00 0.00 N ATOM 1317 CA ILE A 81 86.780 78.490 41.440 1.00 0.00 C ATOM 1318 C ILE A 81 87.760 78.230 40.260 1.00 0.00 C ATOM 1319 O ILE A 81 88.730 77.500 40.390 1.00 0.00 O ATOM 1320 CB ILE A 81 87.180 77.710 42.710 1.00 0.00 C ATOM 1321 CG1 ILE A 81 86.390 78.190 43.920 1.00 0.00 C ATOM 1322 CG2 ILE A 81 88.640 77.900 43.020 1.00 0.00 C ATOM 1323 CD1 ILE A 81 86.640 77.330 45.170 1.00 0.00 C ATOM 0 H ILE A 81 84.699 78.765 41.374 1.00 0.00 H new ATOM 0 HA ILE A 81 86.833 79.564 41.616 1.00 0.00 H new ATOM 0 HB ILE A 81 86.967 76.659 42.513 1.00 0.00 H new ATOM 0 HG12 ILE A 81 86.657 79.224 44.136 1.00 0.00 H new ATOM 0 HG13 ILE A 81 85.326 78.178 43.682 1.00 0.00 H new ATOM 0 HG21 ILE A 81 88.897 77.340 43.919 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.239 77.539 42.184 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.843 78.959 43.181 1.00 0.00 H new ATOM 0 HD11 ILE A 81 86.052 77.717 46.002 1.00 0.00 H new ATOM 0 HD12 ILE A 81 86.347 76.300 44.967 1.00 0.00 H new ATOM 0 HD13 ILE A 81 87.699 77.362 45.428 1.00 0.00 H new ATOM 1335 N ILE A 82 87.540 78.690 39.020 1.00 0.00 N ATOM 1336 CA ILE A 82 88.630 78.710 38.020 1.00 0.00 C ATOM 1337 C ILE A 82 89.940 79.370 38.450 1.00 0.00 C ATOM 1338 O ILE A 82 90.940 79.270 37.780 1.00 0.00 O ATOM 1339 CB ILE A 82 88.130 79.360 36.730 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.110 79.310 35.580 1.00 0.00 C ATOM 1341 CG2 ILE A 82 87.870 80.840 36.930 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.530 79.670 34.250 1.00 0.00 C ATOM 1343 OXT ILE A 82 89.840 80.100 39.550 1.00 0.00 O ATOM 0 H ILE A 82 86.644 79.046 38.686 1.00 0.00 H new ATOM 0 HA ILE A 82 88.887 77.660 37.879 1.00 0.00 H new ATOM 0 HB ILE A 82 87.236 78.784 36.491 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.937 79.986 35.796 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.527 78.305 35.519 1.00 0.00 H new ATOM 0 HG21 ILE A 82 87.515 81.277 35.996 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.114 80.975 37.704 1.00 0.00 H new ATOM 0 HG23 ILE A 82 88.793 81.334 37.234 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.305 79.607 33.486 1.00 0.00 H new ATOM 0 HD12 ILE A 82 87.723 78.979 34.006 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.139 80.687 34.287 1.00 0.00 H new TER 1355 ILE A 82