USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 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= -0.979 K(o=-1.4,f=-9.8!) USER MOD Set 1.2: A 47 MET CE :methyl 166:sc= -0.439 (180deg=-0.292) USER MOD Set 2.1: A 37 TYR OH : rot 51:sc= 0.631 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -4.8! C(o=-4.2!,f=-4.2!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -145:sc= -0.0272 (180deg=-0.835) USER MOD Set 3.2: A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -169:sc= -0.0207 (180deg=-0.0376) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 3 MET CE :methyl 159:sc= -0.035 (180deg=-0.508) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.64! X(o=-3.6!,f=-3.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 130:sc= -0.224 USER MOD Single : A 18 SER OG : rot 180:sc= -0.63 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.599 K(o=-0.6,f=-5.6!) USER MOD Single : A 29 SER OG : rot 86:sc= 0.0122 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc= -0.246 USER MOD Single : A 41 THR OG1 : rot -89:sc= -0.64 USER MOD Single : A 42 ASN : amide:sc= -0.0902 K(o=-0.09,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.986 (180deg=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.235 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0185 (180deg=-0.449) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 77.140 59.570 38.930 1.00 0.00 N ATOM 2 CA SER A 1 76.200 60.630 38.590 1.00 0.00 C ATOM 3 C SER A 1 76.970 61.930 38.340 1.00 0.00 C ATOM 4 O SER A 1 76.400 62.840 37.730 1.00 0.00 O ATOM 5 CB SER A 1 75.180 60.830 39.680 1.00 0.00 C ATOM 6 OG SER A 1 75.920 61.210 40.740 1.00 0.00 O ATOM 0 H1 SER A 1 76.649 58.653 38.917 1.00 0.00 H new ATOM 0 H2 SER A 1 77.915 59.557 38.236 1.00 0.00 H new ATOM 0 H3 SER A 1 77.528 59.742 39.879 1.00 0.00 H new ATOM 0 HA SER A 1 75.664 60.341 37.686 1.00 0.00 H new ATOM 0 HB2 SER A 1 74.447 61.590 39.409 1.00 0.00 H new ATOM 0 HB3 SER A 1 74.627 59.913 39.885 1.00 0.00 H new ATOM 0 HG SER A 1 75.333 61.367 41.509 1.00 0.00 H new ATOM 14 N HIS A 2 78.250 62.010 38.700 1.00 0.00 N ATOM 15 CA HIS A 2 78.930 63.270 38.510 1.00 0.00 C ATOM 16 C HIS A 2 79.740 63.160 37.260 1.00 0.00 C ATOM 17 O HIS A 2 80.640 62.330 37.140 1.00 0.00 O ATOM 18 CB HIS A 2 79.830 63.710 39.670 1.00 0.00 C ATOM 19 CG HIS A 2 79.070 64.050 40.920 1.00 0.00 C ATOM 20 ND1 HIS A 2 78.460 63.080 41.700 1.00 0.00 N ATOM 21 CD2 HIS A 2 78.850 65.270 41.490 1.00 0.00 C ATOM 22 CE1 HIS A 2 77.890 63.750 42.720 1.00 0.00 C ATOM 23 NE2 HIS A 2 78.110 65.060 42.630 1.00 0.00 N ATOM 0 H HIS A 2 78.805 61.256 39.103 1.00 0.00 H new ATOM 0 HA HIS A 2 78.161 64.040 38.450 1.00 0.00 H new ATOM 0 HB2 HIS A 2 80.540 62.913 39.891 1.00 0.00 H new ATOM 0 HB3 HIS A 2 80.411 64.578 39.360 1.00 0.00 H new ATOM 0 HD2 HIS A 2 79.193 66.223 41.116 1.00 0.00 H new ATOM 0 HE1 HIS A 2 77.325 63.283 43.513 1.00 0.00 H new ATOM 0 HE2 HIS A 2 77.790 65.774 43.284 1.00 0.00 H new ATOM 31 N MET A 3 79.350 64.000 36.340 1.00 0.00 N ATOM 32 CA MET A 3 80.100 64.430 35.180 1.00 0.00 C ATOM 33 C MET A 3 80.410 65.930 35.180 1.00 0.00 C ATOM 34 O MET A 3 80.490 66.470 34.080 1.00 0.00 O ATOM 35 CB MET A 3 79.300 64.060 33.950 1.00 0.00 C ATOM 36 CG MET A 3 79.330 62.570 33.730 1.00 0.00 C ATOM 37 SD MET A 3 78.300 62.130 32.310 1.00 0.00 S ATOM 38 CE MET A 3 79.350 62.750 31.010 1.00 0.00 C ATOM 0 H MET A 3 78.430 64.438 36.381 1.00 0.00 H new ATOM 0 HA MET A 3 81.068 63.929 35.193 1.00 0.00 H new ATOM 0 HB2 MET A 3 78.269 64.396 34.065 1.00 0.00 H new ATOM 0 HB3 MET A 3 79.707 64.571 33.077 1.00 0.00 H new ATOM 0 HG2 MET A 3 80.355 62.240 33.562 1.00 0.00 H new ATOM 0 HG3 MET A 3 78.972 62.056 34.622 1.00 0.00 H new ATOM 0 HE1 MET A 3 79.092 62.262 30.070 1.00 0.00 H new ATOM 0 HE2 MET A 3 79.209 63.826 30.911 1.00 0.00 H new ATOM 0 HE3 MET A 3 80.392 62.542 31.253 1.00 0.00 H new ATOM 48 N LYS A 4 80.560 66.590 36.320 1.00 0.00 N ATOM 49 CA LYS A 4 80.770 68.060 36.300 1.00 0.00 C ATOM 50 C LYS A 4 79.700 68.720 35.460 1.00 0.00 C ATOM 51 O LYS A 4 80.000 69.530 34.580 1.00 0.00 O ATOM 52 CB LYS A 4 82.150 68.370 35.740 1.00 0.00 C ATOM 53 CG LYS A 4 83.270 67.930 36.670 1.00 0.00 C ATOM 54 CD LYS A 4 84.630 68.250 36.060 1.00 0.00 C ATOM 55 CE LYS A 4 85.730 67.810 37.020 1.00 0.00 C ATOM 56 NZ LYS A 4 87.030 68.170 36.490 1.00 0.00 N ATOM 0 H LYS A 4 80.544 66.165 37.247 1.00 0.00 H new ATOM 0 HA LYS A 4 80.705 68.450 37.316 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.267 67.874 34.776 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.233 69.442 35.559 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.170 68.432 37.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.193 66.859 36.860 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.741 67.740 35.103 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.710 69.319 35.862 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.583 68.279 37.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.678 66.732 37.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.772 67.865 37.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.172 67.702 35.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.080 69.201 36.365 1.00 0.00 H new ATOM 70 N LEU A 5 78.460 68.290 35.640 1.00 0.00 N ATOM 71 CA LEU A 5 77.410 68.980 35.000 1.00 0.00 C ATOM 72 C LEU A 5 76.330 69.280 36.000 1.00 0.00 C ATOM 73 O LEU A 5 76.220 68.620 37.030 1.00 0.00 O ATOM 74 CB LEU A 5 76.960 68.190 33.760 1.00 0.00 C ATOM 75 CG LEU A 5 76.330 66.850 34.090 1.00 0.00 C ATOM 76 CD1 LEU A 5 75.060 67.020 34.910 1.00 0.00 C ATOM 77 CD2 LEU A 5 75.930 66.110 32.820 1.00 0.00 C ATOM 0 H LEU A 5 78.186 67.490 36.210 1.00 0.00 H new ATOM 0 HA LEU A 5 77.732 69.950 34.622 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.245 68.790 33.197 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.820 68.028 33.111 1.00 0.00 H new ATOM 0 HG LEU A 5 77.078 66.291 34.652 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.634 66.041 35.129 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.295 67.530 35.844 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.339 67.611 34.345 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.481 65.152 33.083 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.209 66.708 32.262 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.813 65.939 32.205 1.00 0.00 H new ATOM 89 N VAL A 6 75.460 70.170 35.550 1.00 0.00 N ATOM 90 CA VAL A 6 74.130 70.410 36.070 1.00 0.00 C ATOM 91 C VAL A 6 73.080 70.200 34.980 1.00 0.00 C ATOM 92 O VAL A 6 73.340 70.540 33.830 1.00 0.00 O ATOM 93 CB VAL A 6 74.040 71.820 36.610 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.600 72.150 36.990 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.930 71.990 37.830 1.00 0.00 C ATOM 0 H VAL A 6 75.681 70.780 34.763 1.00 0.00 H new ATOM 0 HA VAL A 6 73.937 69.702 36.876 1.00 0.00 H new ATOM 0 HB VAL A 6 74.377 72.500 35.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.550 73.168 37.377 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.963 72.065 36.110 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.257 71.454 37.755 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.848 73.012 38.200 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.616 71.295 38.609 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.965 71.785 37.557 1.00 0.00 H new ATOM 105 N LEU A 7 71.920 69.690 35.340 1.00 0.00 N ATOM 106 CA LEU A 7 70.820 69.430 34.410 1.00 0.00 C ATOM 107 C LEU A 7 69.660 70.290 34.860 1.00 0.00 C ATOM 108 O LEU A 7 69.390 70.420 36.060 1.00 0.00 O ATOM 109 CB LEU A 7 70.440 67.940 34.380 1.00 0.00 C ATOM 110 CG LEU A 7 71.570 67.000 33.940 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.120 65.540 34.040 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.960 67.290 32.510 1.00 0.00 C ATOM 0 H LEU A 7 71.703 69.437 36.304 1.00 0.00 H new ATOM 0 HA LEU A 7 71.113 69.679 33.390 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.106 67.644 35.374 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.593 67.808 33.707 1.00 0.00 H new ATOM 0 HG LEU A 7 72.424 67.165 34.597 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.933 64.886 33.724 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.851 65.312 35.071 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.255 65.381 33.396 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.763 66.617 32.208 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.098 67.141 31.860 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.302 68.322 32.428 1.00 0.00 H new ATOM 124 N ALA A 8 68.960 70.840 33.880 1.00 0.00 N ATOM 125 CA ALA A 8 67.670 71.480 33.990 1.00 0.00 C ATOM 126 C ALA A 8 66.580 70.520 34.440 1.00 0.00 C ATOM 127 O ALA A 8 66.660 69.290 34.320 1.00 0.00 O ATOM 128 CB ALA A 8 67.340 72.130 32.660 1.00 0.00 C ATOM 0 H ALA A 8 69.308 70.848 32.921 1.00 0.00 H new ATOM 0 HA ALA A 8 67.719 72.243 34.767 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.368 72.619 32.725 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.103 72.870 32.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.312 71.369 31.880 1.00 0.00 H new ATOM 134 N LYS A 9 65.500 71.020 34.970 1.00 0.00 N ATOM 135 CA LYS A 9 64.310 70.230 35.350 1.00 0.00 C ATOM 136 C LYS A 9 63.160 70.140 34.350 1.00 0.00 C ATOM 137 O LYS A 9 62.210 69.410 34.560 1.00 0.00 O ATOM 138 CB LYS A 9 63.880 70.760 36.700 1.00 0.00 C ATOM 139 CG LYS A 9 63.490 72.230 36.660 1.00 0.00 C ATOM 140 CD LYS A 9 62.100 72.410 36.070 1.00 0.00 C ATOM 141 CE LYS A 9 61.730 73.880 36.040 1.00 0.00 C ATOM 142 NZ LYS A 9 61.580 74.410 37.390 1.00 0.00 N ATOM 0 H LYS A 9 65.397 72.016 35.165 1.00 0.00 H new ATOM 0 HA LYS A 9 64.605 69.181 35.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.035 70.175 37.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.692 70.624 37.414 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.518 72.645 37.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 64.216 72.786 36.066 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.069 71.999 35.061 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.371 71.856 36.662 1.00 0.00 H new ATOM 0 HE2 LYS A 9 62.499 74.441 35.509 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.800 74.013 35.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.821 75.121 37.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 61.340 73.636 38.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 62.472 74.852 37.691 1.00 0.00 H new ATOM 156 N ASN A 10 63.180 71.010 33.330 1.00 0.00 N ATOM 157 CA ASN A 10 62.090 71.250 32.380 1.00 0.00 C ATOM 158 C ASN A 10 61.920 70.010 31.550 1.00 0.00 C ATOM 159 O ASN A 10 60.790 69.620 31.280 1.00 0.00 O ATOM 160 CB ASN A 10 62.400 72.430 31.440 1.00 0.00 C ATOM 161 CG ASN A 10 62.300 73.780 32.120 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.730 73.960 33.150 1.00 0.00 O ATOM 163 ND2 ASN A 10 62.830 74.840 31.610 1.00 0.00 N ATOM 0 H ASN A 10 63.996 71.591 33.138 1.00 0.00 H new ATOM 0 HA ASN A 10 61.186 71.493 32.939 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.405 72.309 31.035 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.711 72.404 30.596 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.740 75.736 32.089 1.00 0.00 H new ATOM 0 HD22 ASN A 10 63.339 74.782 30.728 1.00 0.00 H new ATOM 170 N THR A 11 63.040 69.400 31.200 1.00 0.00 N ATOM 171 CA THR A 11 63.020 68.430 30.120 1.00 0.00 C ATOM 172 C THR A 11 63.020 66.990 30.580 1.00 0.00 C ATOM 173 O THR A 11 62.230 66.190 30.070 1.00 0.00 O ATOM 174 CB THR A 11 64.180 68.680 29.210 1.00 0.00 C ATOM 175 OG1 THR A 11 64.060 69.960 28.650 1.00 0.00 O ATOM 176 CG2 THR A 11 64.270 67.610 28.130 1.00 0.00 C ATOM 0 H THR A 11 63.950 69.553 31.634 1.00 0.00 H new ATOM 0 HA THR A 11 62.076 68.570 29.594 1.00 0.00 H new ATOM 0 HB THR A 11 65.104 68.630 29.786 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.819 70.129 28.054 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.122 67.817 27.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.397 66.633 28.596 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.355 67.613 27.537 1.00 0.00 H new ATOM 184 N ARG A 12 63.880 66.670 31.540 1.00 0.00 N ATOM 185 CA ARG A 12 64.060 65.330 32.100 1.00 0.00 C ATOM 186 C ARG A 12 63.340 65.100 33.420 1.00 0.00 C ATOM 187 O ARG A 12 62.600 64.130 33.580 1.00 0.00 O ATOM 188 CB ARG A 12 65.560 65.090 32.260 1.00 0.00 C ATOM 189 CG ARG A 12 65.860 63.750 32.920 1.00 0.00 C ATOM 190 CD ARG A 12 67.330 63.540 33.160 1.00 0.00 C ATOM 191 NE ARG A 12 67.590 62.240 33.800 1.00 0.00 N ATOM 192 CZ ARG A 12 68.680 62.000 34.510 1.00 0.00 C ATOM 193 NH1 ARG A 12 69.590 62.920 34.650 1.00 0.00 N ATOM 194 NH2 ARG A 12 68.860 60.820 35.040 1.00 0.00 N ATOM 0 H ARG A 12 64.496 67.361 31.968 1.00 0.00 H new ATOM 0 HA ARG A 12 63.608 64.618 31.409 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.039 65.127 31.281 1.00 0.00 H new ATOM 0 HB3 ARG A 12 65.993 65.892 32.857 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.328 63.690 33.870 1.00 0.00 H new ATOM 0 HG3 ARG A 12 65.480 62.946 32.290 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.866 63.594 32.213 1.00 0.00 H new ATOM 0 HD3 ARG A 12 67.715 64.341 33.791 1.00 0.00 H new ATOM 0 HE ARG A 12 66.902 61.495 33.692 1.00 0.00 H new ATOM 0 HH11 ARG A 12 69.465 63.832 34.211 1.00 0.00 H new ATOM 0 HH12 ARG A 12 70.428 62.729 35.199 1.00 0.00 H new ATOM 0 HH21 ARG A 12 68.162 60.089 34.906 1.00 0.00 H new ATOM 0 HH22 ARG A 12 69.699 60.630 35.588 1.00 0.00 H new ATOM 208 N LYS A 13 63.530 66.010 34.380 1.00 0.00 N ATOM 209 CA LYS A 13 62.880 65.950 35.700 1.00 0.00 C ATOM 210 C LYS A 13 63.060 64.580 36.390 1.00 0.00 C ATOM 211 O LYS A 13 62.090 63.930 36.780 1.00 0.00 O ATOM 212 CB LYS A 13 61.420 66.350 35.490 1.00 0.00 C ATOM 213 CG LYS A 13 60.620 66.380 36.800 1.00 0.00 C ATOM 214 CD LYS A 13 59.180 66.760 36.540 1.00 0.00 C ATOM 215 CE LYS A 13 58.370 66.770 37.810 1.00 0.00 C ATOM 216 NZ LYS A 13 56.960 67.100 37.560 1.00 0.00 N ATOM 0 H LYS A 13 64.143 66.817 34.266 1.00 0.00 H new ATOM 0 HA LYS A 13 63.351 66.643 36.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 61.381 67.334 35.022 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.951 65.650 34.799 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.662 65.402 37.280 1.00 0.00 H new ATOM 0 HG3 LYS A 13 61.070 67.093 37.490 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.142 67.745 36.076 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.740 66.057 35.833 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.434 65.793 38.289 1.00 0.00 H new ATOM 0 HE3 LYS A 13 58.794 67.494 38.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.438 67.096 38.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.896 68.043 37.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.547 66.395 36.917 1.00 0.00 H new ATOM 230 N SER A 14 64.270 64.080 36.510 1.00 0.00 N ATOM 231 CA SER A 14 64.470 62.880 37.310 1.00 0.00 C ATOM 232 C SER A 14 64.820 63.140 38.780 1.00 0.00 C ATOM 233 O SER A 14 64.130 62.710 39.640 1.00 0.00 O ATOM 234 CB SER A 14 65.530 62.000 36.710 1.00 0.00 C ATOM 235 OG SER A 14 66.770 62.670 36.660 1.00 0.00 O ATOM 0 H SER A 14 65.110 64.467 36.081 1.00 0.00 H new ATOM 0 HA SER A 14 63.500 62.383 37.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.628 61.088 37.299 1.00 0.00 H new ATOM 0 HB3 SER A 14 65.233 61.700 35.705 1.00 0.00 H new ATOM 0 HG SER A 14 67.466 62.099 37.048 1.00 0.00 H new ATOM 241 N ASP A 15 65.850 63.870 39.050 1.00 0.00 N ATOM 242 CA ASP A 15 66.080 64.480 40.380 1.00 0.00 C ATOM 243 C ASP A 15 66.900 65.750 40.320 1.00 0.00 C ATOM 244 O ASP A 15 67.330 66.260 41.300 1.00 0.00 O ATOM 245 CB ASP A 15 66.730 63.530 41.340 1.00 0.00 C ATOM 246 CG ASP A 15 68.110 63.040 40.940 1.00 0.00 C ATOM 247 OD1 ASP A 15 68.330 63.190 39.600 1.00 0.00 O ATOM 248 OD2 ASP A 15 68.830 62.490 41.560 1.00 0.00 O ATOM 0 H ASP A 15 66.580 64.080 38.370 1.00 0.00 H new ATOM 0 HA ASP A 15 65.083 64.731 40.741 1.00 0.00 H new ATOM 0 HB2 ASP A 15 66.804 64.017 42.312 1.00 0.00 H new ATOM 0 HB3 ASP A 15 66.079 62.665 41.466 1.00 0.00 H new ATOM 253 N ALA A 16 66.980 66.310 39.120 1.00 0.00 N ATOM 254 CA ALA A 16 68.030 67.230 38.680 1.00 0.00 C ATOM 255 C ALA A 16 68.040 68.580 39.390 1.00 0.00 C ATOM 256 O ALA A 16 69.050 69.210 39.560 1.00 0.00 O ATOM 257 CB ALA A 16 67.840 67.440 37.190 1.00 0.00 C ATOM 0 H ALA A 16 66.287 66.130 38.393 1.00 0.00 H new ATOM 0 HA ALA A 16 68.990 66.777 38.928 1.00 0.00 H new ATOM 0 HB1 ALA A 16 68.605 68.122 36.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.925 66.484 36.674 1.00 0.00 H new ATOM 0 HB3 ALA A 16 66.854 67.865 37.005 1.00 0.00 H new ATOM 263 N LYS A 17 66.850 69.100 39.680 1.00 0.00 N ATOM 264 CA LYS A 17 66.600 70.500 39.940 1.00 0.00 C ATOM 265 C LYS A 17 67.420 71.110 41.060 1.00 0.00 C ATOM 266 O LYS A 17 67.550 70.470 42.100 1.00 0.00 O ATOM 267 CB LYS A 17 65.100 70.690 40.100 1.00 0.00 C ATOM 268 CG LYS A 17 64.750 72.170 40.200 1.00 0.00 C ATOM 269 CD LYS A 17 63.270 72.380 40.350 1.00 0.00 C ATOM 270 CE LYS A 17 62.870 73.830 40.560 1.00 0.00 C ATOM 271 NZ LYS A 17 61.410 73.950 40.790 1.00 0.00 N ATOM 0 H LYS A 17 66.007 68.529 39.741 1.00 0.00 H new ATOM 0 HA LYS A 17 66.953 71.071 39.081 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.580 70.245 39.252 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.756 70.169 40.994 1.00 0.00 H new ATOM 0 HG2 LYS A 17 65.269 72.610 41.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.103 72.689 39.309 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.768 72.000 39.460 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.913 71.790 41.194 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.411 74.241 41.413 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.154 74.419 39.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.152 74.955 40.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.897 73.517 39.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.156 73.462 41.673 1.00 0.00 H new ATOM 285 N SER A 18 67.780 72.390 40.900 1.00 0.00 N ATOM 286 CA SER A 18 68.320 73.190 42.000 1.00 0.00 C ATOM 287 C SER A 18 69.520 72.450 42.570 1.00 0.00 C ATOM 288 O SER A 18 69.690 72.420 43.800 1.00 0.00 O ATOM 289 CB SER A 18 67.250 73.440 43.050 1.00 0.00 C ATOM 290 OG SER A 18 66.180 74.190 42.460 1.00 0.00 O ATOM 0 H SER A 18 67.706 72.892 40.015 1.00 0.00 H new ATOM 0 HA SER A 18 68.640 74.170 41.646 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.876 72.493 43.438 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.672 73.986 43.894 1.00 0.00 H new ATOM 0 HG SER A 18 65.486 74.353 43.132 1.00 0.00 H new ATOM 296 N VAL A 19 70.280 71.840 41.680 1.00 0.00 N ATOM 297 CA VAL A 19 71.550 71.300 42.050 1.00 0.00 C ATOM 298 C VAL A 19 72.620 72.280 41.660 1.00 0.00 C ATOM 299 O VAL A 19 73.620 72.250 42.320 1.00 0.00 O ATOM 300 CB VAL A 19 71.890 69.970 41.380 1.00 0.00 C ATOM 301 CG1 VAL A 19 70.790 69.020 41.690 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.900 70.050 39.870 1.00 0.00 C ATOM 0 H VAL A 19 70.030 71.712 40.699 1.00 0.00 H new ATOM 0 HA VAL A 19 71.499 71.121 43.124 1.00 0.00 H new ATOM 0 HB VAL A 19 72.875 69.677 41.742 1.00 0.00 H new ATOM 0 HG11 VAL A 19 71.000 68.056 41.226 1.00 0.00 H new ATOM 0 HG12 VAL A 19 70.712 68.893 42.770 1.00 0.00 H new ATOM 0 HG13 VAL A 19 69.850 69.413 41.302 1.00 0.00 H new ATOM 0 HG21 VAL A 19 72.148 69.073 39.456 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.916 70.355 39.515 1.00 0.00 H new ATOM 0 HG23 VAL A 19 72.643 70.780 39.549 1.00 0.00 H new ATOM 312 N GLU A 20 72.400 73.200 40.710 1.00 0.00 N ATOM 313 CA GLU A 20 73.470 74.170 40.530 1.00 0.00 C ATOM 314 C GLU A 20 73.610 74.960 41.810 1.00 0.00 C ATOM 315 O GLU A 20 74.690 75.180 42.320 1.00 0.00 O ATOM 316 CB GLU A 20 73.230 75.110 39.370 1.00 0.00 C ATOM 317 CG GLU A 20 72.020 75.970 39.540 1.00 0.00 C ATOM 318 CD GLU A 20 71.820 76.690 38.240 1.00 0.00 C ATOM 319 OE1 GLU A 20 72.410 76.610 37.260 1.00 0.00 O ATOM 320 OE2 GLU A 20 70.680 77.420 38.230 1.00 0.00 O ATOM 0 H GLU A 20 71.578 73.289 40.113 1.00 0.00 H new ATOM 0 HA GLU A 20 74.384 73.624 40.297 1.00 0.00 H new ATOM 0 HB2 GLU A 20 74.105 75.748 39.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 73.126 74.526 38.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 71.147 75.366 39.787 1.00 0.00 H new ATOM 0 HG3 GLU A 20 72.159 76.678 40.357 1.00 0.00 H new ATOM 327 N LEU A 21 72.570 75.290 42.540 1.00 0.00 N ATOM 328 CA LEU A 21 72.780 76.070 43.730 1.00 0.00 C ATOM 329 C LEU A 21 73.610 75.360 44.800 1.00 0.00 C ATOM 330 O LEU A 21 74.510 75.960 45.370 1.00 0.00 O ATOM 331 CB LEU A 21 71.440 76.490 44.260 1.00 0.00 C ATOM 332 CG LEU A 21 70.700 77.380 43.250 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.330 77.730 43.800 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.470 78.660 42.990 1.00 0.00 C ATOM 0 H LEU A 21 71.602 75.039 42.338 1.00 0.00 H new ATOM 0 HA LEU A 21 73.375 76.942 43.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.840 75.607 44.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.569 77.029 45.198 1.00 0.00 H new ATOM 0 HG LEU A 21 70.604 76.832 42.312 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.802 78.362 43.086 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.760 76.816 43.967 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.442 78.264 44.743 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.925 79.273 42.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.585 79.211 43.923 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.454 78.418 42.588 1.00 0.00 H new ATOM 346 N GLU A 22 73.230 74.120 45.130 1.00 0.00 N ATOM 347 CA GLU A 22 73.990 73.370 46.130 1.00 0.00 C ATOM 348 C GLU A 22 75.380 73.090 45.610 1.00 0.00 C ATOM 349 O GLU A 22 76.330 73.260 46.360 1.00 0.00 O ATOM 350 CB GLU A 22 73.330 72.040 46.450 1.00 0.00 C ATOM 351 CG GLU A 22 74.030 71.310 47.570 1.00 0.00 C ATOM 352 CD GLU A 22 73.450 70.040 48.040 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.420 69.560 47.250 1.00 0.00 O ATOM 354 OE2 GLU A 22 73.820 69.410 48.910 1.00 0.00 O ATOM 0 H GLU A 22 72.428 73.630 44.734 1.00 0.00 H new ATOM 0 HA GLU A 22 74.027 73.977 47.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.289 72.210 46.724 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.326 71.414 45.557 1.00 0.00 H new ATOM 0 HG2 GLU A 22 75.053 71.111 47.250 1.00 0.00 H new ATOM 0 HG3 GLU A 22 74.088 71.986 48.423 1.00 0.00 H new ATOM 361 N ASP A 23 75.510 72.780 44.330 1.00 0.00 N ATOM 362 CA ASP A 23 76.810 72.430 43.800 1.00 0.00 C ATOM 363 C ASP A 23 77.680 73.630 43.800 1.00 0.00 C ATOM 364 O ASP A 23 78.820 73.540 44.190 1.00 0.00 O ATOM 365 CB ASP A 23 76.750 71.860 42.380 1.00 0.00 C ATOM 366 CG ASP A 23 76.080 70.550 42.510 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.230 69.990 43.590 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.330 70.130 41.570 1.00 0.00 O ATOM 0 H ASP A 23 74.746 72.764 43.654 1.00 0.00 H new ATOM 0 HA ASP A 23 77.213 71.649 44.445 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.194 72.521 41.715 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.749 71.750 41.958 1.00 0.00 H new ATOM 373 N LEU A 24 77.180 74.810 43.530 1.00 0.00 N ATOM 374 CA LEU A 24 77.990 76.010 43.640 1.00 0.00 C ATOM 375 C LEU A 24 78.480 76.080 45.070 1.00 0.00 C ATOM 376 O LEU A 24 79.700 76.110 45.220 1.00 0.00 O ATOM 377 CB LEU A 24 77.230 77.290 43.310 1.00 0.00 C ATOM 378 CG LEU A 24 77.200 77.650 41.830 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.490 76.580 41.070 1.00 0.00 C ATOM 380 CD2 LEU A 24 76.460 78.950 41.590 1.00 0.00 C ATOM 0 H LEU A 24 76.218 74.971 43.232 1.00 0.00 H new ATOM 0 HA LEU A 24 78.802 75.944 42.916 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.205 77.190 43.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.680 78.116 43.862 1.00 0.00 H new ATOM 0 HG LEU A 24 78.233 77.754 41.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.469 76.838 40.011 1.00 0.00 H new ATOM 0 HD12 LEU A 24 77.012 75.632 41.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.469 76.486 41.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.458 79.176 40.524 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.433 78.854 41.943 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.956 79.756 42.131 1.00 0.00 H new ATOM 392 N TYR A 25 77.600 76.130 46.090 1.00 0.00 N ATOM 393 CA TYR A 25 78.120 76.560 47.400 1.00 0.00 C ATOM 394 C TYR A 25 79.220 75.580 47.810 1.00 0.00 C ATOM 395 O TYR A 25 80.300 75.950 48.290 1.00 0.00 O ATOM 396 CB TYR A 25 77.060 76.640 48.510 1.00 0.00 C ATOM 397 CG TYR A 25 77.670 77.070 49.830 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.260 76.120 50.670 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.650 78.430 50.160 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.860 76.560 51.890 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.230 78.890 51.380 1.00 0.00 C ATOM 402 CZ TYR A 25 78.780 77.900 52.090 1.00 0.00 C ATOM 403 OH TYR A 25 79.270 78.400 53.300 1.00 0.00 O ATOM 0 H TYR A 25 76.607 75.899 46.045 1.00 0.00 H new ATOM 0 HA TYR A 25 78.493 77.577 47.283 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.281 77.346 48.221 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.581 75.668 48.628 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.262 75.074 50.402 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.191 79.138 49.485 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.334 75.887 52.589 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.225 79.923 51.695 1.00 0.00 H new ATOM 0 HH TYR A 25 79.157 79.373 53.322 1.00 0.00 H new ATOM 413 N HIS A 26 78.920 74.320 47.550 1.00 0.00 N ATOM 414 CA HIS A 26 79.580 73.190 48.130 1.00 0.00 C ATOM 415 C HIS A 26 80.690 72.620 47.280 1.00 0.00 C ATOM 416 O HIS A 26 81.690 72.210 47.880 1.00 0.00 O ATOM 417 CB HIS A 26 78.530 72.120 48.350 1.00 0.00 C ATOM 418 CG HIS A 26 77.480 72.540 49.350 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.400 73.370 49.070 1.00 0.00 N ATOM 420 CD2 HIS A 26 77.380 72.210 50.660 1.00 0.00 C ATOM 421 CE1 HIS A 26 75.700 73.530 50.180 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.270 72.850 51.160 1.00 0.00 N ATOM 0 H HIS A 26 78.178 74.058 46.901 1.00 0.00 H new ATOM 0 HA HIS A 26 80.051 73.521 49.056 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.050 71.886 47.400 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.013 71.207 48.697 1.00 0.00 H new ATOM 0 HD1 HIS A 26 76.185 73.784 48.163 1.00 0.00 H new ATOM 0 HD2 HIS A 26 78.048 71.564 51.210 1.00 0.00 H new ATOM 0 HE1 HIS A 26 74.802 74.124 50.272 1.00 0.00 H new ATOM 430 N GLU A 27 80.580 72.620 45.970 1.00 0.00 N ATOM 431 CA GLU A 27 81.670 72.160 45.140 1.00 0.00 C ATOM 432 C GLU A 27 82.850 73.040 45.420 1.00 0.00 C ATOM 433 O GLU A 27 83.930 72.530 45.610 1.00 0.00 O ATOM 434 CB GLU A 27 81.380 72.190 43.660 1.00 0.00 C ATOM 435 CG GLU A 27 80.310 71.180 43.290 1.00 0.00 C ATOM 436 CD GLU A 27 80.150 71.100 41.800 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.640 71.990 41.090 1.00 0.00 O ATOM 438 OE2 GLU A 27 79.600 70.050 41.390 1.00 0.00 O ATOM 0 H GLU A 27 79.753 72.931 45.460 1.00 0.00 H new ATOM 0 HA GLU A 27 81.850 71.114 45.389 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.056 73.190 43.370 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.293 71.977 43.104 1.00 0.00 H new ATOM 0 HG2 GLU A 27 80.576 70.200 43.686 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.362 71.462 43.748 1.00 0.00 H new ATOM 445 N PHE A 28 82.540 74.320 45.610 1.00 0.00 N ATOM 446 CA PHE A 28 83.430 75.410 45.910 1.00 0.00 C ATOM 447 C PHE A 28 84.240 75.210 47.190 1.00 0.00 C ATOM 448 O PHE A 28 85.450 75.460 47.180 1.00 0.00 O ATOM 449 CB PHE A 28 82.610 76.680 45.970 1.00 0.00 C ATOM 450 CG PHE A 28 83.330 77.820 46.620 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.330 77.970 48.010 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.050 78.710 45.830 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.050 79.000 48.620 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.750 79.770 46.440 1.00 0.00 C ATOM 455 CZ PHE A 28 84.770 79.900 47.820 1.00 0.00 C ATOM 0 H PHE A 28 81.572 74.636 45.550 1.00 0.00 H new ATOM 0 HA PHE A 28 84.177 75.468 45.118 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.326 76.969 44.958 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.688 76.483 46.516 1.00 0.00 H new ATOM 0 HD1 PHE A 28 82.766 77.280 48.620 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.072 78.590 44.757 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.052 79.102 49.695 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.275 80.487 45.827 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.340 80.694 48.279 1.00 0.00 H new ATOM 465 N SER A 29 83.570 74.860 48.270 1.00 0.00 N ATOM 466 CA SER A 29 84.160 74.560 49.560 1.00 0.00 C ATOM 467 C SER A 29 84.870 73.260 49.660 1.00 0.00 C ATOM 468 O SER A 29 85.810 73.210 50.460 1.00 0.00 O ATOM 469 CB SER A 29 83.060 74.430 50.550 1.00 0.00 C ATOM 470 OG SER A 29 82.510 75.710 50.750 1.00 0.00 O ATOM 0 H SER A 29 82.554 74.773 48.273 1.00 0.00 H new ATOM 0 HA SER A 29 84.874 75.367 49.726 1.00 0.00 H new ATOM 0 HB2 SER A 29 82.299 73.739 50.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 83.437 74.025 51.489 1.00 0.00 H new ATOM 0 HG SER A 29 81.823 75.880 50.073 1.00 0.00 H new ATOM 476 N GLU A 30 84.380 72.250 48.940 1.00 0.00 N ATOM 477 CA GLU A 30 84.900 70.890 48.910 1.00 0.00 C ATOM 478 C GLU A 30 86.080 70.690 47.960 1.00 0.00 C ATOM 479 O GLU A 30 87.070 70.080 48.380 1.00 0.00 O ATOM 480 CB GLU A 30 83.750 70.020 48.450 1.00 0.00 C ATOM 481 CG GLU A 30 82.690 69.840 49.510 1.00 0.00 C ATOM 482 CD GLU A 30 81.610 68.850 49.050 1.00 0.00 C ATOM 483 OE1 GLU A 30 81.760 68.210 47.980 1.00 0.00 O ATOM 484 OE2 GLU A 30 80.680 68.630 49.860 1.00 0.00 O ATOM 0 H GLU A 30 83.569 72.368 48.333 1.00 0.00 H new ATOM 0 HA GLU A 30 85.278 70.640 49.902 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.298 70.463 47.563 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.134 69.043 48.158 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.149 69.480 50.430 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.232 70.803 49.738 1.00 0.00 H new ATOM 491 N ASP A 31 86.040 71.300 46.800 1.00 0.00 N ATOM 492 CA ASP A 31 87.040 71.240 45.760 1.00 0.00 C ATOM 493 C ASP A 31 87.070 72.380 44.780 1.00 0.00 C ATOM 494 O ASP A 31 86.180 73.210 44.740 1.00 0.00 O ATOM 495 CB ASP A 31 86.910 69.910 45.070 1.00 0.00 C ATOM 496 CG ASP A 31 85.540 69.770 44.450 1.00 0.00 C ATOM 497 OD1 ASP A 31 85.310 70.460 43.450 1.00 0.00 O ATOM 498 OD2 ASP A 31 84.870 68.810 44.870 1.00 0.00 O ATOM 0 H ASP A 31 85.252 71.893 46.539 1.00 0.00 H new ATOM 0 HA ASP A 31 88.005 71.348 46.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 87.676 69.816 44.300 1.00 0.00 H new ATOM 0 HB3 ASP A 31 87.077 69.104 45.785 1.00 0.00 H new ATOM 503 N LYS A 32 88.140 72.500 43.990 1.00 0.00 N ATOM 504 CA LYS A 32 88.170 73.640 43.070 1.00 0.00 C ATOM 505 C LYS A 32 88.000 73.210 41.620 1.00 0.00 C ATOM 506 O LYS A 32 88.800 72.380 41.170 1.00 0.00 O ATOM 507 CB LYS A 32 89.440 74.420 43.280 1.00 0.00 C ATOM 508 CG LYS A 32 89.530 74.980 44.700 1.00 0.00 C ATOM 509 CD LYS A 32 90.860 75.680 44.950 1.00 0.00 C ATOM 510 CE LYS A 32 90.980 76.280 46.320 1.00 0.00 C ATOM 511 NZ LYS A 32 92.270 77.000 46.460 1.00 0.00 N ATOM 0 H LYS A 32 88.944 71.872 43.964 1.00 0.00 H new ATOM 0 HA LYS A 32 87.321 74.287 43.291 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.299 73.777 43.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.487 75.239 42.562 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.713 75.682 44.866 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.405 74.170 45.419 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.669 74.965 44.805 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.992 76.466 44.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.152 76.967 46.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.910 75.496 47.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.337 77.409 47.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.056 76.336 46.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.322 77.760 45.752 1.00 0.00 H new ATOM 525 N ARG A 33 87.000 73.650 40.870 1.00 0.00 N ATOM 526 CA ARG A 33 86.440 72.750 39.850 1.00 0.00 C ATOM 527 C ARG A 33 85.850 73.560 38.690 1.00 0.00 C ATOM 528 O ARG A 33 85.840 74.770 38.750 1.00 0.00 O ATOM 529 CB ARG A 33 85.390 71.830 40.510 1.00 0.00 C ATOM 530 CG ARG A 33 84.850 70.770 39.560 1.00 0.00 C ATOM 531 CD ARG A 33 83.610 70.110 40.090 1.00 0.00 C ATOM 532 NE ARG A 33 83.970 69.230 41.190 1.00 0.00 N ATOM 533 CZ ARG A 33 83.080 68.590 41.900 1.00 0.00 C ATOM 534 NH1 ARG A 33 81.840 68.650 41.570 1.00 0.00 N ATOM 535 NH2 ARG A 33 83.440 67.740 42.830 1.00 0.00 N ATOM 0 H ARG A 33 86.572 74.574 40.934 1.00 0.00 H new ATOM 0 HA ARG A 33 87.227 72.123 39.431 1.00 0.00 H new ATOM 0 HB2 ARG A 33 85.836 71.341 41.376 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.562 72.437 40.877 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.632 71.227 38.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.616 70.014 39.389 1.00 0.00 H new ATOM 0 HD2 ARG A 33 82.899 70.863 40.429 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.120 69.542 39.299 1.00 0.00 H new ATOM 0 HE ARG A 33 84.957 69.108 41.416 1.00 0.00 H new ATOM 0 HH11 ARG A 33 81.554 69.196 40.757 1.00 0.00 H new ATOM 0 HH12 ARG A 33 81.141 68.152 42.121 1.00 0.00 H new ATOM 0 HH21 ARG A 33 84.429 67.569 43.009 1.00 0.00 H new ATOM 0 HH22 ARG A 33 82.731 67.249 43.375 1.00 0.00 H new ATOM 549 N SER A 34 85.410 72.950 37.590 1.00 0.00 N ATOM 550 CA SER A 34 84.450 73.620 36.750 1.00 0.00 C ATOM 551 C SER A 34 83.230 72.730 36.550 1.00 0.00 C ATOM 552 O SER A 34 83.290 71.510 36.780 1.00 0.00 O ATOM 553 CB SER A 34 85.090 73.950 35.410 1.00 0.00 C ATOM 554 OG SER A 34 86.220 74.770 35.580 1.00 0.00 O ATOM 0 H SER A 34 85.698 72.023 37.276 1.00 0.00 H new ATOM 0 HA SER A 34 84.132 74.547 37.228 1.00 0.00 H new ATOM 0 HB2 SER A 34 85.378 73.029 34.903 1.00 0.00 H new ATOM 0 HB3 SER A 34 84.364 74.452 34.770 1.00 0.00 H new ATOM 0 HG SER A 34 86.790 74.710 34.785 1.00 0.00 H new ATOM 560 N ILE A 35 82.200 73.350 36.020 1.00 0.00 N ATOM 561 CA ILE A 35 80.960 72.730 35.600 1.00 0.00 C ATOM 562 C ILE A 35 80.560 73.170 34.200 1.00 0.00 C ATOM 563 O ILE A 35 80.830 74.270 33.740 1.00 0.00 O ATOM 564 CB ILE A 35 79.850 73.070 36.610 1.00 0.00 C ATOM 565 CG1 ILE A 35 80.150 72.420 37.950 1.00 0.00 C ATOM 566 CG2 ILE A 35 78.490 72.560 36.100 1.00 0.00 C ATOM 567 CD1 ILE A 35 79.140 72.820 39.020 1.00 0.00 C ATOM 0 H ILE A 35 82.204 74.357 35.861 1.00 0.00 H new ATOM 0 HA ILE A 35 81.108 71.650 35.570 1.00 0.00 H new ATOM 0 HB ILE A 35 79.811 74.153 36.727 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.146 71.336 37.836 1.00 0.00 H new ATOM 0 HG13 ILE A 35 81.152 72.703 38.274 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.714 72.807 36.824 1.00 0.00 H new ATOM 0 HG22 ILE A 35 78.259 73.032 35.145 1.00 0.00 H new ATOM 0 HG23 ILE A 35 78.533 71.479 35.969 1.00 0.00 H new ATOM 0 HD11 ILE A 35 79.394 72.332 39.961 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.162 73.901 39.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.141 72.513 38.710 1.00 0.00 H new ATOM 579 N PHE A 36 79.800 72.320 33.490 1.00 0.00 N ATOM 580 CA PHE A 36 78.850 72.860 32.530 1.00 0.00 C ATOM 581 C PHE A 36 77.390 72.590 32.890 1.00 0.00 C ATOM 582 O PHE A 36 77.000 71.590 33.480 1.00 0.00 O ATOM 583 CB PHE A 36 79.180 72.310 31.150 1.00 0.00 C ATOM 584 CG PHE A 36 79.030 70.810 31.090 1.00 0.00 C ATOM 585 CD1 PHE A 36 77.790 70.240 30.780 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.110 69.980 31.380 1.00 0.00 C ATOM 587 CE1 PHE A 36 77.660 68.860 30.680 1.00 0.00 C ATOM 588 CE2 PHE A 36 79.960 68.580 31.330 1.00 0.00 C ATOM 589 CZ PHE A 36 78.740 68.020 30.960 1.00 0.00 C ATOM 0 H PHE A 36 79.827 71.303 33.562 1.00 0.00 H new ATOM 0 HA PHE A 36 78.952 73.945 32.543 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.525 72.770 30.410 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.201 72.583 30.885 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.931 70.875 30.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.065 70.410 31.644 1.00 0.00 H new ATOM 0 HE1 PHE A 36 76.714 68.433 30.383 1.00 0.00 H new ATOM 0 HE2 PHE A 36 80.793 67.940 31.579 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.630 66.948 30.890 1.00 0.00 H new ATOM 599 N TYR A 37 76.530 73.490 32.440 1.00 0.00 N ATOM 600 CA TYR A 37 75.140 73.500 32.820 1.00 0.00 C ATOM 601 C TYR A 37 74.310 73.260 31.590 1.00 0.00 C ATOM 602 O TYR A 37 74.490 73.920 30.600 1.00 0.00 O ATOM 603 CB TYR A 37 74.740 74.820 33.470 1.00 0.00 C ATOM 604 CG TYR A 37 75.430 75.120 34.740 1.00 0.00 C ATOM 605 CD1 TYR A 37 76.700 75.680 34.690 1.00 0.00 C ATOM 606 CD2 TYR A 37 74.840 74.830 35.970 1.00 0.00 C ATOM 607 CE1 TYR A 37 77.350 75.920 35.880 1.00 0.00 C ATOM 608 CE2 TYR A 37 75.550 75.050 37.150 1.00 0.00 C ATOM 609 CZ TYR A 37 76.810 75.640 37.110 1.00 0.00 C ATOM 610 OH TYR A 37 77.560 75.770 38.190 1.00 0.00 O ATOM 0 H TYR A 37 76.787 74.238 31.795 1.00 0.00 H new ATOM 0 HA TYR A 37 74.971 72.715 33.557 1.00 0.00 H new ATOM 0 HB2 TYR A 37 74.936 75.629 32.767 1.00 0.00 H new ATOM 0 HB3 TYR A 37 73.665 74.809 33.651 1.00 0.00 H new ATOM 0 HD1 TYR A 37 77.164 75.920 33.745 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.835 74.436 36.009 1.00 0.00 H new ATOM 0 HE1 TYR A 37 78.339 76.352 35.843 1.00 0.00 H new ATOM 0 HE2 TYR A 37 75.121 74.762 38.098 1.00 0.00 H new ATOM 0 HH TYR A 37 77.987 76.652 38.188 1.00 0.00 H new ATOM 620 N PHE A 38 73.470 72.260 31.640 1.00 0.00 N ATOM 621 CA PHE A 38 72.600 71.810 30.570 1.00 0.00 C ATOM 622 C PHE A 38 71.150 72.170 30.780 1.00 0.00 C ATOM 623 O PHE A 38 70.410 71.490 31.490 1.00 0.00 O ATOM 624 CB PHE A 38 72.720 70.330 30.480 1.00 0.00 C ATOM 625 CG PHE A 38 71.830 69.680 29.510 1.00 0.00 C ATOM 626 CD1 PHE A 38 72.190 69.480 28.190 1.00 0.00 C ATOM 627 CD2 PHE A 38 70.580 69.170 29.930 1.00 0.00 C ATOM 628 CE1 PHE A 38 71.310 68.880 27.280 1.00 0.00 C ATOM 629 CE2 PHE A 38 69.760 68.630 29.020 1.00 0.00 C ATOM 630 CZ PHE A 38 70.050 68.480 27.660 1.00 0.00 C ATOM 0 H PHE A 38 73.364 71.696 32.483 1.00 0.00 H new ATOM 0 HA PHE A 38 72.915 72.310 29.654 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.750 70.082 30.224 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.525 69.907 31.465 1.00 0.00 H new ATOM 0 HD1 PHE A 38 73.168 69.792 27.854 1.00 0.00 H new ATOM 0 HD2 PHE A 38 70.291 69.215 30.970 1.00 0.00 H new ATOM 0 HE1 PHE A 38 71.627 68.728 26.259 1.00 0.00 H new ATOM 0 HE2 PHE A 38 68.797 68.282 29.364 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.335 68.078 26.957 1.00 0.00 H new ATOM 640 N ALA A 39 70.740 73.280 30.210 1.00 0.00 N ATOM 641 CA ALA A 39 69.410 73.820 30.380 1.00 0.00 C ATOM 642 C ALA A 39 68.810 74.370 29.110 1.00 0.00 C ATOM 643 O ALA A 39 69.520 74.910 28.270 1.00 0.00 O ATOM 644 CB ALA A 39 69.490 74.820 31.500 1.00 0.00 C ATOM 0 H ALA A 39 71.334 73.845 29.603 1.00 0.00 H new ATOM 0 HA ALA A 39 68.712 73.024 30.640 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.506 75.258 31.668 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.825 74.322 32.410 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.197 75.607 31.236 1.00 0.00 H new ATOM 650 N PRO A 40 67.470 74.220 28.930 1.00 0.00 N ATOM 651 CA PRO A 40 67.030 73.340 27.820 1.00 0.00 C ATOM 652 C PRO A 40 67.270 73.860 26.380 1.00 0.00 C ATOM 653 O PRO A 40 67.080 75.060 26.160 1.00 0.00 O ATOM 654 CB PRO A 40 65.540 73.140 28.130 1.00 0.00 C ATOM 655 CG PRO A 40 65.140 74.410 28.890 1.00 0.00 C ATOM 656 CD PRO A 40 66.340 74.700 29.770 1.00 0.00 C ATOM 0 HA PRO A 40 67.624 72.426 27.796 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.956 73.021 27.217 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.375 72.247 28.732 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.935 75.236 28.209 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.238 74.254 29.482 1.00 0.00 H new ATOM 0 HD2 PRO A 40 66.428 75.761 30.002 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.285 74.169 30.721 1.00 0.00 H new ATOM 664 N THR A 41 67.410 72.960 25.390 1.00 0.00 N ATOM 665 CA THR A 41 67.440 73.390 23.960 1.00 0.00 C ATOM 666 C THR A 41 66.020 73.810 23.720 1.00 0.00 C ATOM 667 O THR A 41 65.760 74.850 23.160 1.00 0.00 O ATOM 668 CB THR A 41 67.840 72.380 22.890 1.00 0.00 C ATOM 669 OG1 THR A 41 69.020 71.720 23.090 1.00 0.00 O ATOM 670 CG2 THR A 41 67.730 72.860 21.500 1.00 0.00 C ATOM 0 H THR A 41 67.503 71.955 25.536 1.00 0.00 H new ATOM 0 HA THR A 41 68.226 74.138 23.853 1.00 0.00 H new ATOM 0 HB THR A 41 67.060 71.632 23.030 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.754 72.236 22.697 1.00 0.00 H new ATOM 0 HG21 THR A 41 68.037 72.068 20.816 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.697 73.139 21.292 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.375 73.728 21.363 1.00 0.00 H new ATOM 678 N ASN A 42 65.090 73.040 24.280 1.00 0.00 N ATOM 679 CA ASN A 42 63.670 73.190 24.070 1.00 0.00 C ATOM 680 C ASN A 42 63.040 74.460 24.590 1.00 0.00 C ATOM 681 O ASN A 42 62.200 75.020 23.910 1.00 0.00 O ATOM 682 CB ASN A 42 62.980 71.950 24.670 1.00 0.00 C ATOM 683 CG ASN A 42 63.200 70.770 23.820 1.00 0.00 C ATOM 684 OD1 ASN A 42 63.530 71.050 22.660 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.130 69.550 24.320 1.00 0.00 N ATOM 0 H ASN A 42 65.321 72.273 24.911 1.00 0.00 H new ATOM 0 HA ASN A 42 63.524 73.273 22.993 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.368 71.761 25.671 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.911 72.136 24.772 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.358 68.746 23.736 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.848 69.412 25.290 1.00 0.00 H new ATOM 692 N ALA A 43 63.350 74.910 25.820 1.00 0.00 N ATOM 693 CA ALA A 43 62.760 76.150 26.270 1.00 0.00 C ATOM 694 C ALA A 43 63.710 77.310 26.500 1.00 0.00 C ATOM 695 O ALA A 43 63.310 78.450 26.450 1.00 0.00 O ATOM 696 CB ALA A 43 61.980 75.860 27.510 1.00 0.00 C ATOM 0 H ALA A 43 63.976 74.449 26.480 1.00 0.00 H new ATOM 0 HA ALA A 43 62.134 76.502 25.450 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.521 76.779 27.875 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.202 75.130 27.288 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.647 75.459 28.274 1.00 0.00 H new ATOM 702 N HIS A 44 64.970 77.060 26.780 1.00 0.00 N ATOM 703 CA HIS A 44 65.940 78.080 27.140 1.00 0.00 C ATOM 704 C HIS A 44 65.440 78.890 28.310 1.00 0.00 C ATOM 705 O HIS A 44 65.570 80.120 28.380 1.00 0.00 O ATOM 706 CB HIS A 44 66.200 78.930 25.920 1.00 0.00 C ATOM 707 CG HIS A 44 66.690 78.230 24.700 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.980 77.770 24.540 1.00 0.00 N ATOM 709 CD2 HIS A 44 65.980 77.950 23.570 1.00 0.00 C ATOM 710 CE1 HIS A 44 68.020 77.150 23.360 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.850 77.300 22.730 1.00 0.00 N ATOM 0 H HIS A 44 65.362 76.118 26.764 1.00 0.00 H new ATOM 0 HA HIS A 44 66.879 77.628 27.458 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.276 79.448 25.665 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.930 79.694 26.189 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.945 78.190 23.376 1.00 0.00 H new ATOM 0 HE1 HIS A 44 68.870 76.608 22.972 1.00 0.00 H new ATOM 0 HE2 HIS A 44 66.639 76.984 21.783 1.00 0.00 H new ATOM 719 N LYS A 45 64.830 78.180 29.280 1.00 0.00 N ATOM 720 CA LYS A 45 64.360 78.760 30.520 1.00 0.00 C ATOM 721 C LYS A 45 65.220 78.590 31.720 1.00 0.00 C ATOM 722 O LYS A 45 65.520 79.590 32.380 1.00 0.00 O ATOM 723 CB LYS A 45 62.980 78.260 30.760 1.00 0.00 C ATOM 724 CG LYS A 45 62.310 78.800 32.010 1.00 0.00 C ATOM 725 CD LYS A 45 60.960 78.170 32.280 1.00 0.00 C ATOM 726 CE LYS A 45 60.300 78.740 33.520 1.00 0.00 C ATOM 727 NZ LYS A 45 58.970 78.120 33.750 1.00 0.00 N ATOM 0 H LYS A 45 64.656 77.178 29.208 1.00 0.00 H new ATOM 0 HA LYS A 45 64.391 79.840 30.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.363 78.513 29.898 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.010 77.172 30.823 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.962 78.629 32.867 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.188 79.879 31.912 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.309 78.326 31.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 61.080 77.093 32.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.939 78.570 34.387 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.188 79.819 33.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.540 78.528 34.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.355 78.304 32.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.082 77.094 33.875 1.00 0.00 H new ATOM 741 N ASP A 46 65.520 77.340 32.040 1.00 0.00 N ATOM 742 CA ASP A 46 66.360 77.030 33.180 1.00 0.00 C ATOM 743 C ASP A 46 67.720 77.680 32.950 1.00 0.00 C ATOM 744 O ASP A 46 68.290 78.260 33.840 1.00 0.00 O ATOM 745 CB ASP A 46 66.550 75.550 33.440 1.00 0.00 C ATOM 746 CG ASP A 46 65.270 74.800 33.780 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.450 75.500 34.520 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.000 73.740 33.410 1.00 0.00 O ATOM 0 H ASP A 46 65.192 76.524 31.523 1.00 0.00 H new ATOM 0 HA ASP A 46 65.854 77.419 34.064 1.00 0.00 H new ATOM 0 HB2 ASP A 46 67.000 75.094 32.558 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.258 75.426 34.260 1.00 0.00 H new ATOM 753 N MET A 47 68.120 77.710 31.680 1.00 0.00 N ATOM 754 CA MET A 47 69.340 78.360 31.230 1.00 0.00 C ATOM 755 C MET A 47 69.380 79.870 31.340 1.00 0.00 C ATOM 756 O MET A 47 70.360 80.450 31.780 1.00 0.00 O ATOM 757 CB MET A 47 69.480 77.950 29.770 1.00 0.00 C ATOM 758 CG MET A 47 70.750 78.490 29.170 1.00 0.00 C ATOM 759 SD MET A 47 71.010 78.000 27.480 1.00 0.00 S ATOM 760 CE MET A 47 69.800 79.090 26.710 1.00 0.00 C ATOM 0 H MET A 47 67.592 77.274 30.924 1.00 0.00 H new ATOM 0 HA MET A 47 70.154 78.043 31.881 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.472 76.863 29.693 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.623 78.316 29.204 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.732 79.579 29.224 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.596 78.154 29.770 1.00 0.00 H new ATOM 0 HE1 MET A 47 69.972 79.123 25.634 1.00 0.00 H new ATOM 0 HE2 MET A 47 68.796 78.714 26.905 1.00 0.00 H new ATOM 0 HE3 MET A 47 69.899 80.094 27.124 1.00 0.00 H new ATOM 770 N LEU A 48 68.280 80.530 30.920 1.00 0.00 N ATOM 771 CA LEU A 48 68.200 81.960 31.110 1.00 0.00 C ATOM 772 C LEU A 48 68.360 82.310 32.600 1.00 0.00 C ATOM 773 O LEU A 48 69.110 83.200 32.960 1.00 0.00 O ATOM 774 CB LEU A 48 66.940 82.590 30.470 1.00 0.00 C ATOM 775 CG LEU A 48 66.920 84.130 30.550 1.00 0.00 C ATOM 776 CD1 LEU A 48 67.980 84.770 29.670 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.600 84.670 30.080 1.00 0.00 C ATOM 0 H LEU A 48 67.474 80.100 30.466 1.00 0.00 H new ATOM 0 HA LEU A 48 69.033 82.412 30.572 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.882 82.287 29.425 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.053 82.196 30.966 1.00 0.00 H new ATOM 0 HG LEU A 48 67.107 84.371 31.596 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.923 85.855 29.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.967 84.430 29.984 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.811 84.485 28.631 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.608 85.758 30.145 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.431 84.369 29.046 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.801 84.275 30.708 1.00 0.00 H new ATOM 789 N LYS A 49 67.680 81.550 33.460 1.00 0.00 N ATOM 790 CA LYS A 49 67.680 81.750 34.910 1.00 0.00 C ATOM 791 C LYS A 49 69.020 81.400 35.550 1.00 0.00 C ATOM 792 O LYS A 49 69.400 82.040 36.530 1.00 0.00 O ATOM 793 CB LYS A 49 66.570 80.900 35.520 1.00 0.00 C ATOM 794 CG LYS A 49 65.190 81.410 35.100 1.00 0.00 C ATOM 795 CD LYS A 49 64.090 80.550 35.720 1.00 0.00 C ATOM 796 CE LYS A 49 62.700 81.060 35.330 1.00 0.00 C ATOM 797 NZ LYS A 49 61.670 80.230 35.990 1.00 0.00 N ATOM 0 H LYS A 49 67.103 80.763 33.162 1.00 0.00 H new ATOM 0 HA LYS A 49 67.507 82.808 35.106 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.688 79.863 35.207 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.651 80.916 36.607 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.069 82.447 35.413 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.105 81.392 34.013 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.206 79.517 35.393 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.190 80.554 36.805 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.587 82.103 35.626 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.576 81.020 34.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.761 80.348 35.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.955 79.230 35.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.568 80.527 36.982 1.00 0.00 H new ATOM 811 N ALA A 50 69.720 80.420 35.010 1.00 0.00 N ATOM 812 CA ALA A 50 71.030 80.030 35.500 1.00 0.00 C ATOM 813 C ALA A 50 72.030 81.160 35.480 1.00 0.00 C ATOM 814 O ALA A 50 72.760 81.400 36.430 1.00 0.00 O ATOM 815 CB ALA A 50 71.550 78.870 34.660 1.00 0.00 C ATOM 0 H ALA A 50 69.395 79.869 34.215 1.00 0.00 H new ATOM 0 HA ALA A 50 70.912 79.734 36.542 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.534 78.571 35.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.863 78.027 34.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.626 79.181 33.618 1.00 0.00 H new ATOM 821 N VAL A 51 72.000 81.910 34.360 1.00 0.00 N ATOM 822 CA VAL A 51 72.850 83.080 34.190 1.00 0.00 C ATOM 823 C VAL A 51 72.610 84.050 35.350 1.00 0.00 C ATOM 824 O VAL A 51 73.530 84.590 35.970 1.00 0.00 O ATOM 825 CB VAL A 51 72.610 83.760 32.830 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.470 85.020 32.720 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.960 82.850 31.650 1.00 0.00 C ATOM 0 H VAL A 51 71.391 81.716 33.565 1.00 0.00 H new ATOM 0 HA VAL A 51 73.893 82.764 34.201 1.00 0.00 H new ATOM 0 HB VAL A 51 71.547 83.998 32.784 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.296 85.497 31.755 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.206 85.712 33.520 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.523 84.751 32.807 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.772 83.378 30.715 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.012 82.572 31.705 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.345 81.951 31.689 1.00 0.00 H new ATOM 837 N ASP A 52 71.330 84.260 35.690 1.00 0.00 N ATOM 838 CA ASP A 52 70.960 85.090 36.820 1.00 0.00 C ATOM 839 C ASP A 52 71.390 84.550 38.150 1.00 0.00 C ATOM 840 O ASP A 52 71.900 85.330 38.950 1.00 0.00 O ATOM 841 CB ASP A 52 69.470 85.270 36.850 1.00 0.00 C ATOM 842 CG ASP A 52 69.150 86.210 35.690 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.050 86.840 35.100 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.990 86.250 35.310 1.00 0.00 O ATOM 0 H ASP A 52 70.538 83.859 35.188 1.00 0.00 H new ATOM 0 HA ASP A 52 71.483 86.034 36.671 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.957 84.315 36.735 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.145 85.694 37.800 1.00 0.00 H new ATOM 849 N PHE A 53 71.250 83.270 38.360 1.00 0.00 N ATOM 850 CA PHE A 53 71.570 82.710 39.660 1.00 0.00 C ATOM 851 C PHE A 53 73.020 82.980 40.060 1.00 0.00 C ATOM 852 O PHE A 53 73.330 83.300 41.210 1.00 0.00 O ATOM 853 CB PHE A 53 71.120 81.250 39.640 1.00 0.00 C ATOM 854 CG PHE A 53 69.690 80.980 39.600 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.870 81.990 39.890 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.220 79.750 39.240 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.510 81.760 39.650 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.870 79.440 39.160 1.00 0.00 C ATOM 859 CZ PHE A 53 67.030 80.500 39.400 1.00 0.00 C ATOM 0 H PHE A 53 70.923 82.598 37.666 1.00 0.00 H new ATOM 0 HA PHE A 53 71.028 83.201 40.468 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.575 80.771 38.773 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.528 80.762 40.525 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.232 82.927 40.286 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.937 78.977 39.005 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.823 82.594 39.662 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.510 78.449 38.928 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.962 80.337 39.392 1.00 0.00 H new ATOM 869 N PHE A 54 73.910 82.870 39.070 1.00 0.00 N ATOM 870 CA PHE A 54 75.330 82.610 39.280 1.00 0.00 C ATOM 871 C PHE A 54 75.900 83.900 39.810 1.00 0.00 C ATOM 872 O PHE A 54 76.690 83.930 40.760 1.00 0.00 O ATOM 873 CB PHE A 54 75.970 82.230 37.940 1.00 0.00 C ATOM 874 CG PHE A 54 75.650 80.850 37.390 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.330 79.810 38.200 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.810 80.530 36.050 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.790 78.600 37.790 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.490 79.250 35.570 1.00 0.00 C ATOM 879 CZ PHE A 54 74.950 78.300 36.440 1.00 0.00 C ATOM 0 H PHE A 54 73.657 82.961 38.086 1.00 0.00 H new ATOM 0 HA PHE A 54 75.515 81.790 39.974 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.667 82.969 37.198 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.052 82.310 38.046 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.512 79.935 39.257 1.00 0.00 H new ATOM 0 HD2 PHE A 54 76.186 81.276 35.366 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.280 77.936 38.472 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.661 79.001 34.533 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.656 77.331 36.065 1.00 0.00 H new ATOM 889 N LYS A 55 75.340 84.960 39.230 1.00 0.00 N ATOM 890 CA LYS A 55 75.520 86.320 39.590 1.00 0.00 C ATOM 891 C LYS A 55 74.830 86.620 40.890 1.00 0.00 C ATOM 892 O LYS A 55 75.450 87.350 41.730 1.00 0.00 O ATOM 893 CB LYS A 55 75.000 87.260 38.510 1.00 0.00 C ATOM 894 CG LYS A 55 75.720 87.050 37.190 1.00 0.00 C ATOM 895 CD LYS A 55 75.090 87.910 36.110 1.00 0.00 C ATOM 896 CE LYS A 55 75.820 87.700 34.810 1.00 0.00 C ATOM 897 NZ LYS A 55 75.240 88.540 33.810 1.00 0.00 N ATOM 0 H LYS A 55 74.705 84.856 38.439 1.00 0.00 H new ATOM 0 HA LYS A 55 76.592 86.484 39.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.931 87.099 38.371 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.128 88.293 38.834 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.775 87.303 37.298 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.672 85.999 36.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.037 87.653 35.994 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.132 88.961 36.397 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.878 87.933 34.930 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.756 86.655 34.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.739 88.401 32.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.236 88.296 33.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.323 89.535 34.102 1.00 0.00 H new ATOM 911 N GLU A 56 73.710 86.230 41.220 1.00 0.00 N ATOM 912 CA GLU A 56 73.120 86.490 42.540 1.00 0.00 C ATOM 913 C GLU A 56 73.990 85.890 43.650 1.00 0.00 C ATOM 914 O GLU A 56 74.200 86.520 44.700 1.00 0.00 O ATOM 915 CB GLU A 56 71.710 85.940 42.580 1.00 0.00 C ATOM 916 CG GLU A 56 70.750 86.670 41.630 1.00 0.00 C ATOM 917 CD GLU A 56 69.350 86.050 41.650 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.170 85.010 42.330 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.450 86.650 41.020 1.00 0.00 O ATOM 0 H GLU A 56 73.103 85.694 40.600 1.00 0.00 H new ATOM 0 HA GLU A 56 73.076 87.566 42.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.732 84.881 42.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.328 86.011 43.598 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.686 87.720 41.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.148 86.637 40.616 1.00 0.00 H new ATOM 926 N LYS A 57 74.530 84.680 43.470 1.00 0.00 N ATOM 927 CA LYS A 57 75.110 83.880 44.550 1.00 0.00 C ATOM 928 C LYS A 57 76.400 84.370 45.250 1.00 0.00 C ATOM 929 O LYS A 57 76.430 84.520 46.460 1.00 0.00 O ATOM 930 CB LYS A 57 75.270 82.450 44.020 1.00 0.00 C ATOM 931 CG LYS A 57 73.920 81.750 43.880 1.00 0.00 C ATOM 932 CD LYS A 57 73.230 81.600 45.240 1.00 0.00 C ATOM 933 CE LYS A 57 71.880 80.930 45.100 1.00 0.00 C ATOM 934 NZ LYS A 57 71.220 80.780 46.400 1.00 0.00 N ATOM 0 H LYS A 57 74.576 84.225 42.558 1.00 0.00 H new ATOM 0 HA LYS A 57 74.402 83.971 45.374 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.771 82.474 43.052 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.908 81.880 44.695 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.280 82.319 43.206 1.00 0.00 H new ATOM 0 HG3 LYS A 57 74.062 80.767 43.431 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.862 81.014 45.908 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.106 82.581 45.698 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.248 81.518 44.435 1.00 0.00 H new ATOM 0 HE3 LYS A 57 72.004 79.951 44.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.298 80.318 46.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 71.813 80.199 47.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.080 81.717 46.828 1.00 0.00 H new ATOM 948 N GLY A 58 77.500 84.510 44.540 1.00 0.00 N ATOM 949 CA GLY A 58 78.910 84.570 45.010 1.00 0.00 C ATOM 950 C GLY A 58 79.630 83.240 45.350 1.00 0.00 C ATOM 951 O GLY A 58 80.400 83.190 46.320 1.00 0.00 O ATOM 0 H GLY A 58 77.449 84.594 43.525 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.495 85.077 44.243 1.00 0.00 H new ATOM 0 HA3 GLY A 58 78.937 85.199 45.900 1.00 0.00 H new ATOM 955 N HIS A 59 79.430 82.210 44.540 1.00 0.00 N ATOM 956 CA HIS A 59 80.000 80.860 44.750 1.00 0.00 C ATOM 957 C HIS A 59 80.910 80.300 43.630 1.00 0.00 C ATOM 958 O HIS A 59 81.270 79.120 43.660 1.00 0.00 O ATOM 959 CB HIS A 59 78.810 79.940 45.000 1.00 0.00 C ATOM 960 CG HIS A 59 78.030 80.240 46.250 1.00 0.00 C ATOM 961 ND1 HIS A 59 76.660 80.040 46.380 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.510 80.750 47.420 1.00 0.00 C ATOM 963 CE1 HIS A 59 76.340 80.430 47.610 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.420 80.910 48.240 1.00 0.00 N ATOM 0 H HIS A 59 78.858 82.277 43.698 1.00 0.00 H new ATOM 0 HA HIS A 59 80.692 80.924 45.590 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.136 80.001 44.145 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.168 78.912 45.051 1.00 0.00 H new ATOM 0 HD2 HIS A 59 79.539 80.981 47.654 1.00 0.00 H new ATOM 0 HE1 HIS A 59 75.351 80.369 48.040 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.431 81.325 49.172 1.00 0.00 H new ATOM 972 N THR A 60 81.250 81.100 42.620 1.00 0.00 N ATOM 973 CA THR A 60 81.470 80.670 41.230 1.00 0.00 C ATOM 974 C THR A 60 82.990 80.820 40.980 1.00 0.00 C ATOM 975 O THR A 60 83.800 80.550 41.870 1.00 0.00 O ATOM 976 CB THR A 60 80.610 81.460 40.220 1.00 0.00 C ATOM 977 OG1 THR A 60 81.120 82.730 40.360 1.00 0.00 O ATOM 978 CG2 THR A 60 79.110 81.490 40.490 1.00 0.00 C ATOM 0 H THR A 60 81.386 82.103 42.747 1.00 0.00 H new ATOM 0 HA THR A 60 81.154 79.637 41.082 1.00 0.00 H new ATOM 0 HB THR A 60 80.670 81.003 39.232 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.648 83.341 39.756 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.612 82.073 39.715 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.719 80.473 40.485 1.00 0.00 H new ATOM 0 HG23 THR A 60 78.924 81.946 41.463 1.00 0.00 H new ATOM 986 N ALA A 61 83.490 81.260 39.850 1.00 0.00 N ATOM 987 CA ALA A 61 84.410 82.340 39.650 1.00 0.00 C ATOM 988 C ALA A 61 83.670 83.070 38.500 1.00 0.00 C ATOM 989 O ALA A 61 83.240 84.140 38.660 1.00 0.00 O ATOM 990 CB ALA A 61 85.850 81.890 39.320 1.00 0.00 C ATOM 0 H ALA A 61 83.233 80.823 38.965 1.00 0.00 H new ATOM 0 HA ALA A 61 84.611 82.957 40.526 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.483 82.767 39.183 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.239 81.286 40.139 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.846 81.299 38.404 1.00 0.00 H new ATOM 996 N TYR A 62 83.610 82.350 37.320 1.00 0.00 N ATOM 997 CA TYR A 62 83.310 83.010 36.040 1.00 0.00 C ATOM 998 C TYR A 62 82.220 82.270 35.300 1.00 0.00 C ATOM 999 O TYR A 62 82.130 81.060 35.500 1.00 0.00 O ATOM 1000 CB TYR A 62 84.550 83.050 35.150 1.00 0.00 C ATOM 1001 CG TYR A 62 85.720 83.840 35.640 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.670 85.240 35.540 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.780 83.190 36.310 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.700 86.020 36.110 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.810 83.970 36.890 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.760 85.400 36.810 1.00 0.00 C ATOM 1007 OH TYR A 62 88.720 86.200 37.330 1.00 0.00 O ATOM 0 H TYR A 62 83.764 81.344 37.254 1.00 0.00 H new ATOM 0 HA TYR A 62 82.982 84.025 36.265 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.880 82.024 34.986 1.00 0.00 H new ATOM 0 HB3 TYR A 62 84.256 83.449 34.179 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.847 85.718 35.029 1.00 0.00 H new ATOM 0 HD2 TYR A 62 86.805 82.112 36.379 1.00 0.00 H new ATOM 0 HE1 TYR A 62 86.678 87.095 36.011 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.634 83.487 37.393 1.00 0.00 H new ATOM 0 HH TYR A 62 89.391 85.651 37.787 1.00 0.00 H new ATOM 1017 N LEU A 63 81.490 82.950 34.410 1.00 0.00 N ATOM 1018 CA LEU A 63 80.610 82.260 33.480 1.00 0.00 C ATOM 1019 C LEU A 63 80.810 82.590 31.990 1.00 0.00 C ATOM 1020 O LEU A 63 80.580 83.720 31.530 1.00 0.00 O ATOM 1021 CB LEU A 63 79.160 82.530 33.890 1.00 0.00 C ATOM 1022 CG LEU A 63 78.150 81.800 33.000 1.00 0.00 C ATOM 1023 CD1 LEU A 63 78.250 80.300 33.160 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.730 82.210 33.390 1.00 0.00 C ATOM 0 H LEU A 63 81.495 83.966 34.319 1.00 0.00 H new ATOM 0 HA LEU A 63 80.869 81.204 33.554 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.016 82.221 34.925 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.968 83.602 33.847 1.00 0.00 H new ATOM 0 HG LEU A 63 78.373 82.071 31.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.518 79.816 32.513 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.252 79.971 32.885 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.052 80.031 34.197 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.013 81.689 32.755 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.549 81.948 34.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.614 83.286 33.261 1.00 0.00 H new ATOM 1036 N ASP A 64 80.960 81.560 31.180 1.00 0.00 N ATOM 1037 CA ASP A 64 81.030 81.610 29.730 1.00 0.00 C ATOM 1038 C ASP A 64 79.860 80.880 29.060 1.00 0.00 C ATOM 1039 O ASP A 64 79.060 80.240 29.740 1.00 0.00 O ATOM 1040 CB ASP A 64 82.310 80.950 29.290 1.00 0.00 C ATOM 1041 CG ASP A 64 83.510 81.860 29.550 1.00 0.00 C ATOM 1042 OD1 ASP A 64 83.260 83.080 29.650 1.00 0.00 O ATOM 1043 OD2 ASP A 64 84.650 81.370 29.550 1.00 0.00 O ATOM 0 H ASP A 64 81.041 80.608 31.537 1.00 0.00 H new ATOM 0 HA ASP A 64 80.987 82.658 29.433 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.440 80.008 29.823 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.254 80.710 28.228 1.00 0.00 H new ATOM 1048 N GLU A 65 79.680 81.000 27.750 1.00 0.00 N ATOM 1049 CA GLU A 65 78.870 80.030 26.980 1.00 0.00 C ATOM 1050 C GLU A 65 79.660 78.760 26.630 1.00 0.00 C ATOM 1051 O GLU A 65 80.890 78.800 26.630 1.00 0.00 O ATOM 1052 CB GLU A 65 78.360 80.700 25.700 1.00 0.00 C ATOM 1053 CG GLU A 65 79.470 81.000 24.710 1.00 0.00 C ATOM 1054 CD GLU A 65 78.910 81.550 23.400 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.710 81.800 23.250 1.00 0.00 O ATOM 1056 OE2 GLU A 65 79.650 81.710 22.460 1.00 0.00 O ATOM 0 H GLU A 65 80.078 81.753 27.189 1.00 0.00 H new ATOM 0 HA GLU A 65 78.031 79.724 27.605 1.00 0.00 H new ATOM 0 HB2 GLU A 65 77.622 80.053 25.226 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.850 81.628 25.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 80.162 81.722 25.144 1.00 0.00 H new ATOM 0 HG3 GLU A 65 80.039 80.092 24.512 1.00 0.00 H new ATOM 1063 N VAL A 66 79.010 77.690 26.180 1.00 0.00 N ATOM 1064 CA VAL A 66 79.710 76.750 25.320 1.00 0.00 C ATOM 1065 C VAL A 66 79.390 76.810 23.870 1.00 0.00 C ATOM 1066 O VAL A 66 78.180 76.560 23.600 1.00 0.00 O ATOM 1067 CB VAL A 66 79.560 75.330 25.850 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.130 74.310 24.880 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.290 75.200 27.160 1.00 0.00 C ATOM 0 H VAL A 66 78.038 77.460 26.387 1.00 0.00 H new ATOM 0 HA VAL A 66 80.751 77.071 25.367 1.00 0.00 H new ATOM 0 HB VAL A 66 78.495 75.136 25.979 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.006 73.308 25.291 1.00 0.00 H new ATOM 0 HG12 VAL A 66 79.604 74.380 23.928 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.190 74.509 24.724 1.00 0.00 H new ATOM 0 HG21 VAL A 66 80.181 74.183 27.538 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.347 75.421 27.011 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.871 75.902 27.881 1.00 0.00 H new ATOM 1079 N ARG A 67 80.320 76.860 22.960 1.00 0.00 N ATOM 1080 CA ARG A 67 80.300 76.580 21.510 1.00 0.00 C ATOM 1081 C ARG A 67 80.410 75.080 21.100 1.00 0.00 C ATOM 1082 O ARG A 67 81.290 74.580 20.470 1.00 0.00 O ATOM 1083 CB ARG A 67 81.370 77.410 20.820 1.00 0.00 C ATOM 1084 CG ARG A 67 81.090 78.910 20.920 1.00 0.00 C ATOM 1085 CD ARG A 67 82.220 79.700 20.270 1.00 0.00 C ATOM 1086 NE ARG A 67 81.940 81.130 20.380 1.00 0.00 N ATOM 1087 CZ ARG A 67 82.040 81.830 21.470 1.00 0.00 C ATOM 1088 NH1 ARG A 67 82.680 81.290 22.520 1.00 0.00 N ATOM 1089 NH2 ARG A 67 81.640 83.070 21.510 1.00 0.00 N ATOM 0 H ARG A 67 81.261 77.138 23.239 1.00 0.00 H new ATOM 0 HA ARG A 67 79.303 76.867 21.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.340 77.193 21.266 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.430 77.122 19.770 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.144 79.144 20.431 1.00 0.00 H new ATOM 0 HG3 ARG A 67 80.989 79.200 21.966 1.00 0.00 H new ATOM 0 HD2 ARG A 67 83.168 79.466 20.755 1.00 0.00 H new ATOM 0 HD3 ARG A 67 82.320 79.418 19.222 1.00 0.00 H new ATOM 0 HE ARG A 67 81.643 81.617 19.535 1.00 0.00 H new ATOM 0 HH11 ARG A 67 83.074 80.352 22.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 82.773 81.818 23.388 1.00 0.00 H new ATOM 0 HH21 ARG A 67 81.241 83.504 20.678 1.00 0.00 H new ATOM 0 HH22 ARG A 67 81.725 83.606 22.374 1.00 0.00 H new ATOM 1103 N VAL A 68 79.480 74.260 21.530 1.00 0.00 N ATOM 1104 CA VAL A 68 78.640 73.410 20.670 1.00 0.00 C ATOM 1105 C VAL A 68 77.230 74.020 20.680 1.00 0.00 C ATOM 1106 O VAL A 68 76.210 73.360 20.560 1.00 0.00 O ATOM 1107 CB VAL A 68 78.590 71.960 21.170 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.990 71.360 21.140 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.020 71.910 22.590 1.00 0.00 C ATOM 0 H VAL A 68 79.268 74.151 22.522 1.00 0.00 H new ATOM 0 HA VAL A 68 79.057 73.378 19.664 1.00 0.00 H new ATOM 0 HB VAL A 68 77.940 71.378 20.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.952 70.330 21.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.372 71.378 20.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.649 71.942 21.784 1.00 0.00 H new ATOM 0 HG21 VAL A 68 77.990 70.876 22.934 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.653 72.496 23.257 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.011 72.323 22.592 1.00 0.00 H new ATOM 1119 N SER A 69 77.190 75.330 20.920 1.00 0.00 N ATOM 1120 CA SER A 69 76.020 76.170 21.070 1.00 0.00 C ATOM 1121 C SER A 69 75.240 76.330 19.800 1.00 0.00 C ATOM 1122 O SER A 69 74.040 76.420 19.880 1.00 0.00 O ATOM 1123 CB SER A 69 76.450 77.570 21.430 1.00 0.00 C ATOM 1124 OG SER A 69 77.350 78.110 20.490 1.00 0.00 O ATOM 0 H SER A 69 78.051 75.868 21.022 1.00 0.00 H new ATOM 0 HA SER A 69 75.408 75.684 21.830 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.571 78.211 21.499 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.917 77.563 22.415 1.00 0.00 H new ATOM 0 HG SER A 69 77.601 79.018 20.761 1.00 0.00 H new ATOM 1130 N THR A 70 75.890 76.380 18.670 1.00 0.00 N ATOM 1131 CA THR A 70 75.170 76.370 17.420 1.00 0.00 C ATOM 1132 C THR A 70 74.370 75.080 17.260 1.00 0.00 C ATOM 1133 O THR A 70 73.250 75.160 16.850 1.00 0.00 O ATOM 1134 CB THR A 70 76.130 76.550 16.280 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.740 77.810 16.400 1.00 0.00 O ATOM 1136 CG2 THR A 70 75.400 76.500 14.960 1.00 0.00 C ATOM 0 H THR A 70 76.905 76.428 18.585 1.00 0.00 H new ATOM 0 HA THR A 70 74.461 77.198 17.417 1.00 0.00 H new ATOM 0 HB THR A 70 76.870 75.751 16.312 1.00 0.00 H new ATOM 0 HG1 THR A 70 77.371 77.939 15.662 1.00 0.00 H new ATOM 0 HG21 THR A 70 76.112 76.632 14.145 1.00 0.00 H new ATOM 0 HG22 THR A 70 74.904 75.535 14.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 74.657 77.296 14.925 1.00 0.00 H new ATOM 1144 N ASP A 71 74.920 73.940 17.610 1.00 0.00 N ATOM 1145 CA ASP A 71 74.270 72.600 17.620 1.00 0.00 C ATOM 1146 C ASP A 71 73.250 72.290 18.730 1.00 0.00 C ATOM 1147 O ASP A 71 72.200 71.670 18.510 1.00 0.00 O ATOM 1148 CB ASP A 71 75.390 71.580 17.670 1.00 0.00 C ATOM 1149 CG ASP A 71 76.120 71.530 16.340 1.00 0.00 C ATOM 1150 OD1 ASP A 71 75.650 72.280 15.440 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.200 70.980 16.240 1.00 0.00 O ATOM 0 H ASP A 71 75.891 73.894 17.918 1.00 0.00 H new ATOM 0 HA ASP A 71 73.654 72.570 16.721 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.089 71.837 18.466 1.00 0.00 H new ATOM 0 HB3 ASP A 71 74.984 70.596 17.907 1.00 0.00 H new ATOM 1156 N GLU A 72 73.540 72.600 19.970 1.00 0.00 N ATOM 1157 CA GLU A 72 72.660 72.190 21.050 1.00 0.00 C ATOM 1158 C GLU A 72 72.060 73.430 21.660 1.00 0.00 C ATOM 1159 O GLU A 72 70.840 73.540 21.760 1.00 0.00 O ATOM 1160 CB GLU A 72 73.420 71.410 22.130 1.00 0.00 C ATOM 1161 CG GLU A 72 73.760 70.000 21.660 1.00 0.00 C ATOM 1162 CD GLU A 72 72.490 69.180 21.460 1.00 0.00 C ATOM 1163 OE1 GLU A 72 71.380 69.610 21.820 1.00 0.00 O ATOM 1164 OE2 GLU A 72 72.680 68.060 20.930 1.00 0.00 O ATOM 0 H GLU A 72 74.364 73.127 20.259 1.00 0.00 H new ATOM 0 HA GLU A 72 71.887 71.534 20.649 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.337 71.941 22.387 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.817 71.358 23.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 74.320 70.047 20.726 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.403 69.512 22.392 1.00 0.00 H new ATOM 1171 N LYS A 73 72.950 74.370 21.990 1.00 0.00 N ATOM 1172 CA LYS A 73 72.740 75.640 22.740 1.00 0.00 C ATOM 1173 C LYS A 73 72.240 75.390 24.170 1.00 0.00 C ATOM 1174 O LYS A 73 71.720 76.270 24.850 1.00 0.00 O ATOM 1175 CB LYS A 73 71.810 76.530 21.920 1.00 0.00 C ATOM 1176 CG LYS A 73 71.680 77.930 22.520 1.00 0.00 C ATOM 1177 CD LYS A 73 70.760 78.790 21.710 1.00 0.00 C ATOM 1178 CE LYS A 73 70.590 80.160 22.380 1.00 0.00 C ATOM 1179 NZ LYS A 73 71.890 80.840 22.500 1.00 0.00 N ATOM 0 H LYS A 73 73.928 74.265 21.721 1.00 0.00 H new ATOM 0 HA LYS A 73 73.690 76.157 22.871 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.187 76.606 20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.825 76.068 21.861 1.00 0.00 H new ATOM 0 HG2 LYS A 73 71.306 77.856 23.541 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.663 78.397 22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 73 71.160 78.916 20.704 1.00 0.00 H new ATOM 0 HD3 LYS A 73 69.790 78.303 21.609 1.00 0.00 H new ATOM 0 HE2 LYS A 73 69.904 80.774 21.796 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.145 80.036 23.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 71.737 81.853 22.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 72.427 80.426 23.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 72.426 80.723 21.617 1.00 0.00 H new ATOM 1193 N ASP A 74 72.540 74.230 24.700 1.00 0.00 N ATOM 1194 CA ASP A 74 72.180 73.860 26.070 1.00 0.00 C ATOM 1195 C ASP A 74 73.230 74.140 27.090 1.00 0.00 C ATOM 1196 O ASP A 74 72.880 74.140 28.290 1.00 0.00 O ATOM 1197 CB ASP A 74 71.830 72.380 26.090 1.00 0.00 C ATOM 1198 CG ASP A 74 70.480 72.220 25.420 1.00 0.00 C ATOM 1199 OD1 ASP A 74 69.950 73.290 25.060 1.00 0.00 O ATOM 1200 OD2 ASP A 74 70.000 71.080 25.420 1.00 0.00 O ATOM 0 H ASP A 74 73.046 73.501 24.198 1.00 0.00 H new ATOM 0 HA ASP A 74 71.333 74.486 26.350 1.00 0.00 H new ATOM 0 HB2 ASP A 74 72.589 71.800 25.565 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.796 72.008 27.114 1.00 0.00 H new ATOM 1205 N PHE A 75 74.460 74.360 26.690 1.00 0.00 N ATOM 1206 CA PHE A 75 75.540 74.250 27.630 1.00 0.00 C ATOM 1207 C PHE A 75 76.100 75.630 27.920 1.00 0.00 C ATOM 1208 O PHE A 75 76.620 76.310 27.060 1.00 0.00 O ATOM 1209 CB PHE A 75 76.640 73.310 27.150 1.00 0.00 C ATOM 1210 CG PHE A 75 76.160 71.900 26.930 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.600 71.520 25.710 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.270 70.960 27.950 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.160 70.200 25.530 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.840 69.650 27.790 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.280 69.270 26.560 1.00 0.00 C ATOM 0 H PHE A 75 74.731 74.611 25.739 1.00 0.00 H new ATOM 0 HA PHE A 75 75.141 73.815 28.546 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.057 73.694 26.219 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.448 73.302 27.882 1.00 0.00 H new ATOM 0 HD1 PHE A 75 75.506 72.238 24.909 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.703 71.258 28.894 1.00 0.00 H new ATOM 0 HE1 PHE A 75 74.726 69.903 24.587 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.934 68.937 28.596 1.00 0.00 H new ATOM 0 HZ PHE A 75 74.942 68.255 26.412 1.00 0.00 H new ATOM 1225 N LEU A 76 76.000 76.030 29.190 1.00 0.00 N ATOM 1226 CA LEU A 76 76.670 77.210 29.730 1.00 0.00 C ATOM 1227 C LEU A 76 77.810 76.800 30.620 1.00 0.00 C ATOM 1228 O LEU A 76 77.740 75.760 31.240 1.00 0.00 O ATOM 1229 CB LEU A 76 75.710 78.070 30.550 1.00 0.00 C ATOM 1230 CG LEU A 76 74.530 78.570 29.690 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.500 79.260 30.580 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.050 79.560 28.670 1.00 0.00 C ATOM 0 H LEU A 76 75.440 75.532 29.882 1.00 0.00 H new ATOM 0 HA LEU A 76 77.037 77.788 28.882 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.330 77.492 31.392 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.247 78.923 30.965 1.00 0.00 H new ATOM 0 HG LEU A 76 74.062 77.725 29.186 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.669 79.612 29.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.131 78.554 31.324 1.00 0.00 H new ATOM 0 HD13 LEU A 76 73.964 80.108 31.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.223 79.919 28.057 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.513 80.402 29.184 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.788 79.073 28.033 1.00 0.00 H new ATOM 1244 N TYR A 77 78.880 77.580 30.670 1.00 0.00 N ATOM 1245 CA TYR A 77 80.160 76.960 31.000 1.00 0.00 C ATOM 1246 C TYR A 77 80.740 77.690 32.170 1.00 0.00 C ATOM 1247 O TYR A 77 81.200 78.810 31.950 1.00 0.00 O ATOM 1248 CB TYR A 77 81.130 77.020 29.840 1.00 0.00 C ATOM 1249 CG TYR A 77 82.390 76.230 30.060 1.00 0.00 C ATOM 1250 CD1 TYR A 77 82.360 74.830 30.080 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.600 76.910 30.300 1.00 0.00 C ATOM 1252 CE1 TYR A 77 83.550 74.130 30.330 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.780 76.190 30.560 1.00 0.00 C ATOM 1254 CZ TYR A 77 84.760 74.790 30.580 1.00 0.00 C ATOM 1255 OH TYR A 77 85.910 74.110 30.790 1.00 0.00 O ATOM 0 H TYR A 77 78.897 78.585 30.498 1.00 0.00 H new ATOM 0 HA TYR A 77 79.992 75.908 31.232 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.633 76.650 28.943 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.393 78.061 29.652 1.00 0.00 H new ATOM 0 HD1 TYR A 77 81.436 74.298 29.906 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.622 77.990 30.284 1.00 0.00 H new ATOM 0 HE1 TYR A 77 83.533 73.050 30.330 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.704 76.718 30.745 1.00 0.00 H new ATOM 0 HH TYR A 77 86.641 74.744 30.945 1.00 0.00 H new ATOM 1265 N GLU A 78 80.660 77.180 33.380 1.00 0.00 N ATOM 1266 CA GLU A 78 80.970 78.020 34.540 1.00 0.00 C ATOM 1267 C GLU A 78 82.120 77.380 35.270 1.00 0.00 C ATOM 1268 O GLU A 78 82.320 76.160 35.220 1.00 0.00 O ATOM 1269 CB GLU A 78 79.810 78.210 35.510 1.00 0.00 C ATOM 1270 CG GLU A 78 80.040 79.280 36.560 1.00 0.00 C ATOM 1271 CD GLU A 78 78.880 79.400 37.530 1.00 0.00 C ATOM 1272 OE1 GLU A 78 78.250 78.390 37.850 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.650 80.540 37.960 1.00 0.00 O ATOM 0 H GLU A 78 80.393 76.219 33.594 1.00 0.00 H new ATOM 0 HA GLU A 78 81.208 79.015 34.164 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.915 78.462 34.942 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.613 77.263 36.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.951 79.051 37.114 1.00 0.00 H new ATOM 0 HG3 GLU A 78 80.199 80.239 36.068 1.00 0.00 H new ATOM 1280 N LEU A 79 82.950 78.210 35.880 1.00 0.00 N ATOM 1281 CA LEU A 79 84.150 77.720 36.500 1.00 0.00 C ATOM 1282 C LEU A 79 84.150 78.230 37.910 1.00 0.00 C ATOM 1283 O LEU A 79 83.890 79.430 38.080 1.00 0.00 O ATOM 1284 CB LEU A 79 85.400 78.130 35.710 1.00 0.00 C ATOM 1285 CG LEU A 79 85.410 77.660 34.250 1.00 0.00 C ATOM 1286 CD1 LEU A 79 84.370 78.390 33.420 1.00 0.00 C ATOM 1287 CD2 LEU A 79 86.740 77.930 33.580 1.00 0.00 C ATOM 0 H LEU A 79 82.809 79.217 35.954 1.00 0.00 H new ATOM 0 HA LEU A 79 84.174 76.630 36.507 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.487 79.216 35.730 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.280 77.730 36.214 1.00 0.00 H new ATOM 0 HG LEU A 79 85.203 76.591 34.292 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.407 78.030 32.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.379 78.205 33.834 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.576 79.460 33.438 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.705 77.582 32.548 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.944 79.001 33.595 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.530 77.402 34.114 1.00 0.00 H new ATOM 1299 N HIS A 80 84.440 77.380 38.880 1.00 0.00 N ATOM 1300 CA HIS A 80 84.300 77.660 40.300 1.00 0.00 C ATOM 1301 C HIS A 80 85.680 77.690 40.910 1.00 0.00 C ATOM 1302 O HIS A 80 86.390 76.670 40.850 1.00 0.00 O ATOM 1303 CB HIS A 80 83.420 76.660 41.030 1.00 0.00 C ATOM 1304 CG HIS A 80 82.000 76.540 40.490 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.690 75.790 39.370 1.00 0.00 N ATOM 1306 CD2 HIS A 80 80.860 77.080 41.000 1.00 0.00 C ATOM 1307 CE1 HIS A 80 80.370 75.920 39.190 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.850 76.680 40.150 1.00 0.00 N ATOM 0 H HIS A 80 84.792 76.441 38.694 1.00 0.00 H new ATOM 0 HA HIS A 80 83.800 78.623 40.406 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.894 75.680 40.985 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.370 76.942 42.082 1.00 0.00 H new ATOM 0 HD1 HIS A 80 82.336 75.248 38.797 1.00 0.00 H new ATOM 0 HD2 HIS A 80 80.766 77.693 41.884 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.809 75.473 38.383 1.00 0.00 H new ATOM 1316 N ILE A 81 86.070 78.840 41.420 1.00 0.00 N ATOM 1317 CA ILE A 81 87.440 79.100 41.810 1.00 0.00 C ATOM 1318 C ILE A 81 88.490 78.740 40.760 1.00 0.00 C ATOM 1319 O ILE A 81 89.470 78.070 41.080 1.00 0.00 O ATOM 1320 CB ILE A 81 87.670 78.350 43.110 1.00 0.00 C ATOM 1321 CG1 ILE A 81 86.800 79.060 44.130 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.120 78.370 43.600 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.160 80.450 44.410 1.00 0.00 C ATOM 0 H ILE A 81 85.440 79.627 41.577 1.00 0.00 H new ATOM 0 HA ILE A 81 87.567 80.176 41.929 1.00 0.00 H new ATOM 0 HB ILE A 81 87.430 77.297 42.963 1.00 0.00 H new ATOM 0 HG12 ILE A 81 85.768 79.034 43.781 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.835 78.499 45.064 1.00 0.00 H new ATOM 0 HG21 ILE A 81 89.196 77.812 44.533 1.00 0.00 H new ATOM 0 HG22 ILE A 81 89.764 77.912 42.849 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.434 79.401 43.767 1.00 0.00 H new ATOM 0 HD11 ILE A 81 86.475 80.861 45.151 1.00 0.00 H new ATOM 0 HD12 ILE A 81 88.179 80.491 44.795 1.00 0.00 H new ATOM 0 HD13 ILE A 81 87.095 81.035 43.492 1.00 0.00 H new ATOM 1335 N ILE A 82 88.350 79.050 39.490 1.00 0.00 N ATOM 1336 CA ILE A 82 89.340 78.430 38.630 1.00 0.00 C ATOM 1337 C ILE A 82 90.710 79.060 38.720 1.00 0.00 C ATOM 1338 O ILE A 82 91.560 78.340 38.160 1.00 0.00 O ATOM 1339 CB ILE A 82 88.750 78.240 37.250 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.630 77.310 36.420 1.00 0.00 C ATOM 1341 CG2 ILE A 82 88.620 79.600 36.580 1.00 0.00 C ATOM 1342 CD1 ILE A 82 88.990 76.910 35.130 1.00 0.00 C ATOM 1343 OXT ILE A 82 90.950 80.180 39.290 1.00 0.00 O ATOM 0 H ILE A 82 87.649 79.655 39.062 1.00 0.00 H new ATOM 0 HA ILE A 82 89.571 77.428 38.992 1.00 0.00 H new ATOM 0 HB ILE A 82 87.764 77.782 37.331 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.579 77.804 36.212 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.856 76.416 37.001 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.195 79.476 35.584 1.00 0.00 H new ATOM 0 HG22 ILE A 82 87.967 80.238 37.176 1.00 0.00 H new ATOM 0 HG23 ILE A 82 89.604 80.062 36.500 1.00 0.00 H new ATOM 0 HD11 ILE A 82 89.660 76.249 34.581 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.054 76.390 35.334 1.00 0.00 H new ATOM 0 HD13 ILE A 82 88.788 77.799 34.533 1.00 0.00 H new TER 1355 ILE A 82