USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HE2:sc= -1.17 K(o=-1.5,f=-3.9) USER MOD Set 1.2: A 47 MET CE :methyl 164:sc= -0.322 (180deg=-0.358) USER MOD Set 2.1: A 34 SER OG : rot 161:sc= 1.3 USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.0176 USER MOD Set 3.2: A 42 ASN : amide:sc= -1.19! C(o=-1.2!,f=-7!) USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.0507 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.3!) USER MOD Single : A 3 MET CE :methyl 155:sc= -0.147 (180deg=-0.797) 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= -1.57! C(o=-1.6!,f=-3.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 4:sc= 0.00204 USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 0.521 (180deg=0.301) USER MOD Single : A 18 SER OG : rot -64:sc= 0.925 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.4!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.197 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -18:sc= -0.0429! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -1.67! (180deg=-1.92!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= -0.0387 (180deg=-1.69) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.57 F(o=-4.9!,f=-2.6) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 175:sc= 0.59 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -4.48! C(o=-6.4!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 86.620 60.390 38.190 1.00 0.00 N ATOM 2 CA SER A 1 85.230 60.140 37.770 1.00 0.00 C ATOM 3 C SER A 1 84.540 61.420 37.340 1.00 0.00 C ATOM 4 O SER A 1 84.850 62.470 37.910 1.00 0.00 O ATOM 5 CB SER A 1 84.460 59.480 38.900 1.00 0.00 C ATOM 6 OG SER A 1 84.470 60.290 39.980 1.00 0.00 O ATOM 0 H1 SER A 1 86.884 59.716 38.937 1.00 0.00 H new ATOM 0 H2 SER A 1 87.256 60.271 37.376 1.00 0.00 H new ATOM 0 H3 SER A 1 86.703 61.360 38.555 1.00 0.00 H new ATOM 0 HA SER A 1 85.252 59.472 36.909 1.00 0.00 H new ATOM 0 HB2 SER A 1 83.434 59.282 38.589 1.00 0.00 H new ATOM 0 HB3 SER A 1 84.909 58.518 39.148 1.00 0.00 H new ATOM 0 HG SER A 1 83.972 59.867 40.711 1.00 0.00 H new ATOM 14 N HIS A 2 83.640 61.350 36.330 1.00 0.00 N ATOM 15 CA HIS A 2 82.940 62.590 36.000 1.00 0.00 C ATOM 16 C HIS A 2 81.470 62.710 36.480 1.00 0.00 C ATOM 17 O HIS A 2 80.580 61.970 36.080 1.00 0.00 O ATOM 18 CB HIS A 2 83.050 62.820 34.490 1.00 0.00 C ATOM 19 CG HIS A 2 82.440 64.120 34.060 1.00 0.00 C ATOM 20 ND1 HIS A 2 81.080 64.370 34.090 1.00 0.00 N ATOM 21 CD2 HIS A 2 83.050 65.240 33.580 1.00 0.00 C ATOM 22 CE1 HIS A 2 80.880 65.610 33.640 1.00 0.00 C ATOM 23 NE2 HIS A 2 82.050 66.140 33.320 1.00 0.00 N ATOM 0 H HIS A 2 83.403 60.524 35.780 1.00 0.00 H new ATOM 0 HA HIS A 2 83.441 63.373 36.569 1.00 0.00 H new ATOM 0 HB2 HIS A 2 84.100 62.802 34.199 1.00 0.00 H new ATOM 0 HB3 HIS A 2 82.559 62.001 33.965 1.00 0.00 H new ATOM 0 HD2 HIS A 2 84.110 65.389 33.434 1.00 0.00 H new ATOM 0 HE1 HIS A 2 79.922 66.100 33.551 1.00 0.00 H new ATOM 0 HE2 HIS A 2 82.186 67.076 32.938 1.00 0.00 H new ATOM 31 N MET A 3 81.330 63.730 37.320 1.00 0.00 N ATOM 32 CA MET A 3 80.150 64.490 37.700 1.00 0.00 C ATOM 33 C MET A 3 80.100 65.960 37.270 1.00 0.00 C ATOM 34 O MET A 3 79.170 66.620 37.600 1.00 0.00 O ATOM 35 CB MET A 3 80.050 64.380 39.220 1.00 0.00 C ATOM 36 CG MET A 3 78.830 65.100 39.780 1.00 0.00 C ATOM 37 SD MET A 3 78.840 65.310 41.530 1.00 0.00 S ATOM 38 CE MET A 3 80.130 66.440 41.690 1.00 0.00 C ATOM 0 H MET A 3 82.149 64.086 37.812 1.00 0.00 H new ATOM 0 HA MET A 3 79.305 64.058 37.163 1.00 0.00 H new ATOM 0 HB2 MET A 3 80.008 63.328 39.503 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.951 64.795 39.671 1.00 0.00 H new ATOM 0 HG2 MET A 3 78.756 66.081 39.310 1.00 0.00 H new ATOM 0 HG3 MET A 3 77.936 64.544 39.499 1.00 0.00 H new ATOM 0 HE1 MET A 3 80.002 67.011 42.610 1.00 0.00 H new ATOM 0 HE2 MET A 3 81.080 65.906 41.724 1.00 0.00 H new ATOM 0 HE3 MET A 3 80.126 67.120 40.838 1.00 0.00 H new ATOM 48 N LYS A 4 81.030 66.540 36.520 1.00 0.00 N ATOM 49 CA LYS A 4 81.170 68.010 36.570 1.00 0.00 C ATOM 50 C LYS A 4 80.110 68.680 35.700 1.00 0.00 C ATOM 51 O LYS A 4 80.470 69.410 34.770 1.00 0.00 O ATOM 52 CB LYS A 4 82.570 68.480 36.160 1.00 0.00 C ATOM 53 CG LYS A 4 83.630 68.050 37.170 1.00 0.00 C ATOM 54 CD LYS A 4 85.010 68.550 36.750 1.00 0.00 C ATOM 55 CE LYS A 4 86.090 68.190 37.760 1.00 0.00 C ATOM 56 NZ LYS A 4 87.410 68.650 37.350 1.00 0.00 N ATOM 0 H LYS A 4 81.674 66.054 35.896 1.00 0.00 H new ATOM 0 HA LYS A 4 81.022 68.307 37.608 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.817 68.074 35.179 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.576 69.566 36.067 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.380 68.442 38.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.641 66.963 37.253 1.00 0.00 H new ATOM 0 HD2 LYS A 4 85.268 68.125 35.780 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.979 69.632 36.626 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.840 68.627 38.727 1.00 0.00 H new ATOM 0 HE3 LYS A 4 86.111 67.109 37.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 88.111 68.381 38.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.663 68.213 36.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.400 69.685 37.246 1.00 0.00 H new ATOM 70 N LEU A 5 78.840 68.360 35.870 1.00 0.00 N ATOM 71 CA LEU A 5 77.740 68.900 35.180 1.00 0.00 C ATOM 72 C LEU A 5 76.650 69.070 36.220 1.00 0.00 C ATOM 73 O LEU A 5 76.580 68.320 37.180 1.00 0.00 O ATOM 74 CB LEU A 5 77.340 68.040 33.970 1.00 0.00 C ATOM 75 CG LEU A 5 76.700 66.700 34.380 1.00 0.00 C ATOM 76 CD1 LEU A 5 75.390 66.920 35.120 1.00 0.00 C ATOM 77 CD2 LEU A 5 76.360 65.880 33.140 1.00 0.00 C ATOM 0 H LEU A 5 78.556 67.658 36.554 1.00 0.00 H new ATOM 0 HA LEU A 5 77.969 69.865 34.728 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.639 68.598 33.349 1.00 0.00 H new ATOM 0 HB3 LEU A 5 78.222 67.845 33.360 1.00 0.00 H new ATOM 0 HG LEU A 5 77.420 66.187 35.018 1.00 0.00 H new ATOM 0 HD11 LEU A 5 74.962 65.956 35.396 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.575 67.507 36.020 1.00 0.00 H new ATOM 0 HD13 LEU A 5 74.693 67.455 34.475 1.00 0.00 H new ATOM 0 HD21 LEU A 5 75.908 64.935 33.441 1.00 0.00 H new ATOM 0 HD22 LEU A 5 75.658 66.435 32.518 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.270 65.683 32.573 1.00 0.00 H new ATOM 89 N VAL A 6 75.790 70.010 35.880 1.00 0.00 N ATOM 90 CA VAL A 6 74.490 70.250 36.450 1.00 0.00 C ATOM 91 C VAL A 6 73.410 70.290 35.390 1.00 0.00 C ATOM 92 O VAL A 6 73.470 71.060 34.430 1.00 0.00 O ATOM 93 CB VAL A 6 74.510 71.530 37.250 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.130 71.790 37.820 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.510 71.530 38.350 1.00 0.00 C ATOM 0 H VAL A 6 76.005 70.676 35.138 1.00 0.00 H new ATOM 0 HA VAL A 6 74.252 69.419 37.115 1.00 0.00 H new ATOM 0 HB VAL A 6 74.804 72.323 36.563 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.143 72.714 38.398 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.411 71.882 37.006 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.842 70.962 38.467 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.467 72.481 38.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.289 70.718 39.042 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.508 71.391 37.934 1.00 0.00 H new ATOM 105 N LEU A 7 72.410 69.420 35.580 1.00 0.00 N ATOM 106 CA LEU A 7 71.270 69.380 34.650 1.00 0.00 C ATOM 107 C LEU A 7 70.130 70.280 35.140 1.00 0.00 C ATOM 108 O LEU A 7 69.880 70.420 36.330 1.00 0.00 O ATOM 109 CB LEU A 7 70.780 67.930 34.430 1.00 0.00 C ATOM 110 CG LEU A 7 71.870 66.970 33.960 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.330 65.550 33.890 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.350 67.390 32.590 1.00 0.00 C ATOM 0 H LEU A 7 72.364 68.750 36.348 1.00 0.00 H new ATOM 0 HA LEU A 7 71.610 69.764 33.688 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.357 67.555 35.362 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.975 67.937 33.695 1.00 0.00 H new ATOM 0 HG LEU A 7 72.697 67.000 34.670 1.00 0.00 H new ATOM 0 HD11 LEU A 7 72.119 64.877 33.553 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.987 65.242 34.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 70.497 65.512 33.189 1.00 0.00 H new ATOM 0 HD21 LEU A 7 73.129 66.706 32.252 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.516 67.365 31.889 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.752 68.402 32.640 1.00 0.00 H new ATOM 124 N ALA A 8 69.420 70.860 34.170 1.00 0.00 N ATOM 125 CA ALA A 8 68.140 71.500 34.270 1.00 0.00 C ATOM 126 C ALA A 8 67.080 70.540 34.750 1.00 0.00 C ATOM 127 O ALA A 8 67.130 69.360 34.420 1.00 0.00 O ATOM 128 CB ALA A 8 67.760 72.020 32.930 1.00 0.00 C ATOM 0 H ALA A 8 69.774 70.887 33.214 1.00 0.00 H new ATOM 0 HA ALA A 8 68.213 72.312 34.993 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.788 72.509 32.992 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.507 72.739 32.593 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.706 71.194 32.221 1.00 0.00 H new ATOM 134 N LYS A 9 66.120 71.100 35.480 1.00 0.00 N ATOM 135 CA LYS A 9 64.830 70.500 35.760 1.00 0.00 C ATOM 136 C LYS A 9 64.020 70.280 34.490 1.00 0.00 C ATOM 137 O LYS A 9 63.490 69.250 34.290 1.00 0.00 O ATOM 138 CB LYS A 9 64.070 71.390 36.740 1.00 0.00 C ATOM 139 CG LYS A 9 62.730 70.800 37.120 1.00 0.00 C ATOM 140 CD LYS A 9 61.990 71.660 38.130 1.00 0.00 C ATOM 141 CE LYS A 9 60.640 71.000 38.420 1.00 0.00 C ATOM 142 NZ LYS A 9 59.780 71.780 39.220 1.00 0.00 N ATOM 0 H LYS A 9 66.229 72.020 35.907 1.00 0.00 H new ATOM 0 HA LYS A 9 64.992 69.518 36.204 1.00 0.00 H new ATOM 0 HB2 LYS A 9 64.670 71.535 37.638 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.920 72.374 36.295 1.00 0.00 H new ATOM 0 HG2 LYS A 9 62.118 70.686 36.225 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.878 69.803 37.534 1.00 0.00 H new ATOM 0 HD2 LYS A 9 62.572 71.755 39.047 1.00 0.00 H new ATOM 0 HD3 LYS A 9 61.845 72.667 37.738 1.00 0.00 H new ATOM 0 HE2 LYS A 9 60.143 70.783 37.475 1.00 0.00 H new ATOM 0 HE3 LYS A 9 60.813 70.045 38.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.888 71.268 39.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 60.233 71.967 40.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.584 72.682 38.741 1.00 0.00 H new ATOM 156 N ASN A 10 63.840 71.210 33.580 1.00 0.00 N ATOM 157 CA ASN A 10 62.570 71.430 32.860 1.00 0.00 C ATOM 158 C ASN A 10 62.100 70.320 31.930 1.00 0.00 C ATOM 159 O ASN A 10 60.920 69.970 31.980 1.00 0.00 O ATOM 160 CB ASN A 10 62.710 72.730 32.070 1.00 0.00 C ATOM 161 CG ASN A 10 61.440 73.110 31.340 1.00 0.00 C ATOM 162 OD1 ASN A 10 60.510 72.350 31.170 1.00 0.00 O ATOM 163 ND2 ASN A 10 61.310 74.360 30.940 1.00 0.00 N ATOM 0 H ASN A 10 64.577 71.857 33.301 1.00 0.00 H new ATOM 0 HA ASN A 10 61.798 71.463 33.629 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.988 73.535 32.750 1.00 0.00 H new ATOM 0 HB3 ASN A 10 63.521 72.627 31.349 1.00 0.00 H new ATOM 0 HD21 ASN A 10 60.443 74.667 30.500 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.077 75.020 31.071 1.00 0.00 H new ATOM 170 N THR A 11 63.030 69.810 31.120 1.00 0.00 N ATOM 171 CA THR A 11 62.730 68.700 30.260 1.00 0.00 C ATOM 172 C THR A 11 62.380 67.420 30.960 1.00 0.00 C ATOM 173 O THR A 11 61.430 66.770 30.530 1.00 0.00 O ATOM 174 CB THR A 11 63.910 68.490 29.330 1.00 0.00 C ATOM 175 OG1 THR A 11 64.050 69.650 28.560 1.00 0.00 O ATOM 176 CG2 THR A 11 63.680 67.290 28.430 1.00 0.00 C ATOM 0 H THR A 11 63.987 70.156 31.053 1.00 0.00 H new ATOM 0 HA THR A 11 61.823 68.963 29.715 1.00 0.00 H new ATOM 0 HB THR A 11 64.814 68.297 29.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.808 69.546 27.947 1.00 0.00 H new ATOM 0 HG21 THR A 11 64.539 67.159 27.772 1.00 0.00 H new ATOM 0 HG22 THR A 11 63.551 66.396 29.041 1.00 0.00 H new ATOM 0 HG23 THR A 11 62.785 67.452 27.830 1.00 0.00 H new ATOM 184 N ARG A 12 63.150 67.080 32.010 1.00 0.00 N ATOM 185 CA ARG A 12 62.920 65.930 32.860 1.00 0.00 C ATOM 186 C ARG A 12 62.040 66.140 34.090 1.00 0.00 C ATOM 187 O ARG A 12 61.140 65.350 34.320 1.00 0.00 O ATOM 188 CB ARG A 12 64.280 65.420 33.270 1.00 0.00 C ATOM 189 CG ARG A 12 65.040 64.860 32.060 1.00 0.00 C ATOM 190 CD ARG A 12 66.440 64.400 32.470 1.00 0.00 C ATOM 191 NE ARG A 12 67.170 63.930 31.280 1.00 0.00 N ATOM 192 CZ ARG A 12 67.820 64.720 30.470 1.00 0.00 C ATOM 193 NH1 ARG A 12 67.880 65.970 30.770 1.00 0.00 N ATOM 194 NH2 ARG A 12 68.450 64.290 29.430 1.00 0.00 N ATOM 0 H ARG A 12 63.969 67.622 32.286 1.00 0.00 H new ATOM 0 HA ARG A 12 62.340 65.218 32.272 1.00 0.00 H new ATOM 0 HB2 ARG A 12 64.854 66.228 33.724 1.00 0.00 H new ATOM 0 HB3 ARG A 12 64.169 64.643 34.027 1.00 0.00 H new ATOM 0 HG2 ARG A 12 64.487 64.024 31.632 1.00 0.00 H new ATOM 0 HG3 ARG A 12 65.114 65.623 31.285 1.00 0.00 H new ATOM 0 HD2 ARG A 12 66.981 65.221 32.941 1.00 0.00 H new ATOM 0 HD3 ARG A 12 66.370 63.600 33.207 1.00 0.00 H new ATOM 0 HE ARG A 12 67.167 62.930 31.078 1.00 0.00 H new ATOM 0 HH11 ARG A 12 67.428 66.313 31.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 68.380 66.617 30.160 1.00 0.00 H new ATOM 0 HH21 ARG A 12 68.454 63.294 29.212 1.00 0.00 H new ATOM 0 HH22 ARG A 12 68.944 64.946 28.826 1.00 0.00 H new ATOM 208 N LYS A 13 62.340 67.150 34.880 1.00 0.00 N ATOM 209 CA LYS A 13 61.750 67.510 36.150 1.00 0.00 C ATOM 210 C LYS A 13 61.820 66.350 37.150 1.00 0.00 C ATOM 211 O LYS A 13 60.770 66.020 37.690 1.00 0.00 O ATOM 212 CB LYS A 13 60.310 67.960 35.870 1.00 0.00 C ATOM 213 CG LYS A 13 60.220 69.270 35.090 1.00 0.00 C ATOM 214 CD LYS A 13 58.790 69.680 34.850 1.00 0.00 C ATOM 215 CE LYS A 13 58.730 70.990 34.110 1.00 0.00 C ATOM 216 NZ LYS A 13 57.340 71.350 33.960 1.00 0.00 N ATOM 0 H LYS A 13 63.078 67.804 34.621 1.00 0.00 H new ATOM 0 HA LYS A 13 62.304 68.324 36.617 1.00 0.00 H new ATOM 0 HB2 LYS A 13 59.796 67.178 35.311 1.00 0.00 H new ATOM 0 HB3 LYS A 13 59.783 68.074 36.817 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.737 70.057 35.640 1.00 0.00 H new ATOM 0 HG3 LYS A 13 60.732 69.160 34.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.276 68.908 34.276 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.267 69.770 35.802 1.00 0.00 H new ATOM 0 HE2 LYS A 13 59.268 71.763 34.659 1.00 0.00 H new ATOM 0 HE3 LYS A 13 59.208 70.900 33.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.269 72.254 33.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.846 70.610 33.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.903 71.446 34.899 1.00 0.00 H new ATOM 230 N SER A 14 62.990 65.750 37.490 1.00 0.00 N ATOM 231 CA SER A 14 63.160 65.460 38.920 1.00 0.00 C ATOM 232 C SER A 14 64.330 66.220 39.500 1.00 0.00 C ATOM 233 O SER A 14 65.250 65.560 39.840 1.00 0.00 O ATOM 234 CB SER A 14 63.290 63.950 39.230 1.00 0.00 C ATOM 235 OG SER A 14 62.120 63.260 38.850 1.00 0.00 O ATOM 0 H SER A 14 63.750 65.484 36.864 1.00 0.00 H new ATOM 0 HA SER A 14 62.243 65.800 39.401 1.00 0.00 H new ATOM 0 HB2 SER A 14 64.149 63.538 38.701 1.00 0.00 H new ATOM 0 HB3 SER A 14 63.473 63.807 40.295 1.00 0.00 H new ATOM 0 HG SER A 14 61.500 63.882 38.414 1.00 0.00 H new ATOM 241 N ASP A 15 64.210 67.510 39.800 1.00 0.00 N ATOM 242 CA ASP A 15 64.970 68.310 40.820 1.00 0.00 C ATOM 243 C ASP A 15 66.510 68.490 40.600 1.00 0.00 C ATOM 244 O ASP A 15 67.370 68.730 41.440 1.00 0.00 O ATOM 245 CB ASP A 15 64.720 67.740 42.210 1.00 0.00 C ATOM 246 CG ASP A 15 63.290 67.990 42.630 1.00 0.00 C ATOM 247 OD1 ASP A 15 62.670 68.870 41.920 1.00 0.00 O ATOM 248 OD2 ASP A 15 62.910 67.290 43.590 1.00 0.00 O ATOM 0 H ASP A 15 63.530 68.092 39.310 1.00 0.00 H new ATOM 0 HA ASP A 15 64.571 69.317 40.701 1.00 0.00 H new ATOM 0 HB2 ASP A 15 64.925 66.670 42.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 65.402 68.198 42.926 1.00 0.00 H new ATOM 253 N ALA A 16 66.910 68.350 39.370 1.00 0.00 N ATOM 254 CA ALA A 16 68.280 68.440 38.900 1.00 0.00 C ATOM 255 C ALA A 16 68.830 69.890 38.990 1.00 0.00 C ATOM 256 O ALA A 16 70.010 70.070 39.160 1.00 0.00 O ATOM 257 CB ALA A 16 68.340 67.980 37.450 1.00 0.00 C ATOM 0 H ALA A 16 66.254 68.157 38.613 1.00 0.00 H new ATOM 0 HA ALA A 16 68.895 67.804 39.537 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.367 68.045 37.090 1.00 0.00 H new ATOM 0 HB2 ALA A 16 67.996 66.948 37.381 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.700 68.617 36.839 1.00 0.00 H new ATOM 263 N LYS A 17 68.070 71.000 38.860 1.00 0.00 N ATOM 264 CA LYS A 17 68.680 72.350 39.030 1.00 0.00 C ATOM 265 C LYS A 17 68.710 72.910 40.460 1.00 0.00 C ATOM 266 O LYS A 17 69.260 73.970 40.720 1.00 0.00 O ATOM 267 CB LYS A 17 68.010 73.340 38.080 1.00 0.00 C ATOM 268 CG LYS A 17 66.540 73.550 38.460 1.00 0.00 C ATOM 269 CD LYS A 17 65.870 74.530 37.500 1.00 0.00 C ATOM 270 CE LYS A 17 64.410 74.730 37.870 1.00 0.00 C ATOM 271 NZ LYS A 17 63.770 75.680 36.940 1.00 0.00 N ATOM 0 H LYS A 17 67.073 70.999 38.647 1.00 0.00 H new ATOM 0 HA LYS A 17 69.733 72.213 38.782 1.00 0.00 H new ATOM 0 HB2 LYS A 17 68.538 74.293 38.110 1.00 0.00 H new ATOM 0 HB3 LYS A 17 68.076 72.971 37.057 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.014 72.596 38.439 1.00 0.00 H new ATOM 0 HG3 LYS A 17 66.473 73.929 39.480 1.00 0.00 H new ATOM 0 HD2 LYS A 17 66.391 75.487 37.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 65.944 74.155 36.479 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.887 73.774 37.841 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.335 75.104 38.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 62.740 75.535 36.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.986 76.654 37.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.132 75.522 35.978 1.00 0.00 H new ATOM 285 N SER A 18 68.040 72.280 41.410 1.00 0.00 N ATOM 286 CA SER A 18 68.370 72.580 42.800 1.00 0.00 C ATOM 287 C SER A 18 69.820 72.260 43.140 1.00 0.00 C ATOM 288 O SER A 18 70.440 72.910 43.960 1.00 0.00 O ATOM 289 CB SER A 18 67.450 71.800 43.710 1.00 0.00 C ATOM 290 OG SER A 18 67.690 70.420 43.580 1.00 0.00 O ATOM 0 H SER A 18 67.301 71.592 41.263 1.00 0.00 H new ATOM 0 HA SER A 18 68.236 73.652 42.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 67.604 72.107 44.744 1.00 0.00 H new ATOM 0 HB3 SER A 18 66.411 72.020 43.464 1.00 0.00 H new ATOM 0 HG SER A 18 67.465 70.133 42.670 1.00 0.00 H new ATOM 296 N VAL A 19 70.320 71.260 42.430 1.00 0.00 N ATOM 297 CA VAL A 19 71.680 70.750 42.510 1.00 0.00 C ATOM 298 C VAL A 19 72.780 71.770 42.200 1.00 0.00 C ATOM 299 O VAL A 19 73.790 71.810 42.860 1.00 0.00 O ATOM 300 CB VAL A 19 71.800 69.530 41.600 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.210 69.070 41.510 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.960 68.370 42.120 1.00 0.00 C ATOM 0 H VAL A 19 69.757 70.755 41.745 1.00 0.00 H new ATOM 0 HA VAL A 19 71.849 70.484 43.554 1.00 0.00 H new ATOM 0 HB VAL A 19 71.442 69.835 40.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.268 68.200 40.856 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.829 69.871 41.105 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.569 68.802 42.503 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.066 67.516 41.451 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.300 68.094 43.118 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.913 68.670 42.163 1.00 0.00 H new ATOM 312 N GLU A 20 72.570 72.640 41.230 1.00 0.00 N ATOM 313 CA GLU A 20 73.510 73.720 40.880 1.00 0.00 C ATOM 314 C GLU A 20 73.780 74.590 42.090 1.00 0.00 C ATOM 315 O GLU A 20 74.870 74.890 42.480 1.00 0.00 O ATOM 316 CB GLU A 20 72.920 74.570 39.760 1.00 0.00 C ATOM 317 CG GLU A 20 73.850 75.680 39.380 1.00 0.00 C ATOM 318 CD GLU A 20 75.230 75.170 38.910 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.230 74.440 37.910 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.220 75.540 39.550 1.00 0.00 O ATOM 0 H GLU A 20 71.733 72.627 40.647 1.00 0.00 H new ATOM 0 HA GLU A 20 74.448 73.278 40.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.721 73.944 38.890 1.00 0.00 H new ATOM 0 HB3 GLU A 20 71.964 74.985 40.079 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.396 76.272 38.585 1.00 0.00 H new ATOM 0 HG3 GLU A 20 73.985 76.344 40.234 1.00 0.00 H new ATOM 327 N LEU A 21 72.700 74.970 42.740 1.00 0.00 N ATOM 328 CA LEU A 21 72.720 75.810 43.900 1.00 0.00 C ATOM 329 C LEU A 21 73.540 75.180 45.060 1.00 0.00 C ATOM 330 O LEU A 21 74.360 75.840 45.690 1.00 0.00 O ATOM 331 CB LEU A 21 71.260 76.070 44.280 1.00 0.00 C ATOM 332 CG LEU A 21 70.470 76.850 43.220 1.00 0.00 C ATOM 333 CD1 LEU A 21 69.010 77.000 43.650 1.00 0.00 C ATOM 334 CD2 LEU A 21 71.060 78.250 43.030 1.00 0.00 C ATOM 0 H LEU A 21 71.760 74.690 42.460 1.00 0.00 H new ATOM 0 HA LEU A 21 73.225 76.753 43.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.766 75.115 44.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.232 76.623 45.219 1.00 0.00 H new ATOM 0 HG LEU A 21 70.530 76.294 42.285 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.462 77.555 42.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.563 76.013 43.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.963 77.539 44.596 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.486 78.787 42.275 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.017 78.794 43.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.098 78.167 42.706 1.00 0.00 H new ATOM 346 N GLU A 22 73.270 73.930 45.400 1.00 0.00 N ATOM 347 CA GLU A 22 74.020 73.190 46.430 1.00 0.00 C ATOM 348 C GLU A 22 75.450 72.960 46.020 1.00 0.00 C ATOM 349 O GLU A 22 76.330 73.130 46.860 1.00 0.00 O ATOM 350 CB GLU A 22 73.390 71.840 46.700 1.00 0.00 C ATOM 351 CG GLU A 22 72.040 72.020 47.340 1.00 0.00 C ATOM 352 CD GLU A 22 71.440 70.680 47.430 1.00 0.00 C ATOM 353 OE1 GLU A 22 71.910 69.610 47.050 1.00 0.00 O ATOM 354 OE2 GLU A 22 70.360 70.740 47.920 1.00 0.00 O ATOM 0 H GLU A 22 72.520 73.387 44.972 1.00 0.00 H new ATOM 0 HA GLU A 22 73.992 73.805 47.330 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.288 71.284 45.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 74.036 71.252 47.353 1.00 0.00 H new ATOM 0 HG2 GLU A 22 72.136 72.470 48.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 71.415 72.686 46.746 1.00 0.00 H new ATOM 361 N ASP A 23 75.620 72.660 44.730 1.00 0.00 N ATOM 362 CA ASP A 23 76.960 72.360 44.240 1.00 0.00 C ATOM 363 C ASP A 23 77.850 73.530 44.210 1.00 0.00 C ATOM 364 O ASP A 23 79.020 73.430 44.510 1.00 0.00 O ATOM 365 CB ASP A 23 76.920 71.750 42.840 1.00 0.00 C ATOM 366 CG ASP A 23 76.480 70.330 42.990 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.510 69.950 44.210 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.190 69.740 41.900 1.00 0.00 O ATOM 0 H ASP A 23 74.877 72.620 44.033 1.00 0.00 H new ATOM 0 HA ASP A 23 77.365 71.643 44.955 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.231 72.301 42.200 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.902 71.801 42.370 1.00 0.00 H new ATOM 373 N LEU A 24 77.250 74.670 43.910 1.00 0.00 N ATOM 374 CA LEU A 24 78.050 75.860 43.920 1.00 0.00 C ATOM 375 C LEU A 24 78.760 76.030 45.250 1.00 0.00 C ATOM 376 O LEU A 24 79.950 76.230 45.300 1.00 0.00 O ATOM 377 CB LEU A 24 77.210 77.080 43.620 1.00 0.00 C ATOM 378 CG LEU A 24 76.840 77.180 42.150 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.880 78.350 41.940 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.080 77.370 41.310 1.00 0.00 C ATOM 0 H LEU A 24 76.265 74.787 43.670 1.00 0.00 H new ATOM 0 HA LEU A 24 78.802 75.756 43.138 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.300 77.048 44.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.756 77.976 43.916 1.00 0.00 H new ATOM 0 HG LEU A 24 76.351 76.255 41.843 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.616 78.419 40.885 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.977 78.190 42.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.361 79.276 42.256 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.800 77.440 40.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.587 78.286 41.612 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.749 76.521 41.452 1.00 0.00 H new ATOM 392 N TYR A 25 78.030 75.960 46.350 1.00 0.00 N ATOM 393 CA TYR A 25 78.560 76.120 47.700 1.00 0.00 C ATOM 394 C TYR A 25 79.500 74.970 48.030 1.00 0.00 C ATOM 395 O TYR A 25 80.600 75.210 48.580 1.00 0.00 O ATOM 396 CB TYR A 25 77.400 76.160 48.710 1.00 0.00 C ATOM 397 CG TYR A 25 77.900 76.130 50.140 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.380 77.290 50.760 1.00 0.00 C ATOM 399 CD2 TYR A 25 77.990 74.910 50.830 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.850 77.270 52.090 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.460 74.870 52.150 1.00 0.00 C ATOM 402 CZ TYR A 25 78.830 76.050 52.790 1.00 0.00 C ATOM 403 OH TYR A 25 79.350 75.990 54.020 1.00 0.00 O ATOM 0 H TYR A 25 77.025 75.786 46.332 1.00 0.00 H new ATOM 0 HA TYR A 25 79.116 77.055 47.758 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.809 77.062 48.550 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.738 75.311 48.538 1.00 0.00 H new ATOM 0 HD1 TYR A 25 78.391 78.219 50.209 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.694 73.994 50.339 1.00 0.00 H new ATOM 0 HE1 TYR A 25 79.217 78.171 52.560 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.535 73.926 52.669 1.00 0.00 H new ATOM 0 HH TYR A 25 79.259 75.079 54.370 1.00 0.00 H new ATOM 413 N HIS A 26 79.040 73.730 47.720 1.00 0.00 N ATOM 414 CA HIS A 26 79.820 72.600 48.130 1.00 0.00 C ATOM 415 C HIS A 26 81.040 72.380 47.320 1.00 0.00 C ATOM 416 O HIS A 26 82.100 72.100 47.870 1.00 0.00 O ATOM 417 CB HIS A 26 79.050 71.270 48.200 1.00 0.00 C ATOM 418 CG HIS A 26 78.030 71.250 49.310 1.00 0.00 C ATOM 419 ND1 HIS A 26 76.840 71.910 49.250 1.00 0.00 N ATOM 420 CD2 HIS A 26 78.070 70.610 50.520 1.00 0.00 C ATOM 421 CE1 HIS A 26 76.170 71.700 50.370 1.00 0.00 C ATOM 422 NE2 HIS A 26 76.870 70.910 51.190 1.00 0.00 N ATOM 0 H HIS A 26 78.179 73.522 47.215 1.00 0.00 H new ATOM 0 HA HIS A 26 80.104 72.889 49.142 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.549 71.093 47.248 1.00 0.00 H new ATOM 0 HB3 HIS A 26 79.756 70.452 48.345 1.00 0.00 H new ATOM 0 HD1 HIS A 26 76.517 72.476 48.465 1.00 0.00 H new ATOM 0 HD2 HIS A 26 78.873 69.990 50.891 1.00 0.00 H new ATOM 0 HE1 HIS A 26 75.195 72.109 50.591 1.00 0.00 H new ATOM 430 N GLU A 27 80.960 72.570 46.040 1.00 0.00 N ATOM 431 CA GLU A 27 82.130 72.380 45.230 1.00 0.00 C ATOM 432 C GLU A 27 83.120 73.390 45.650 1.00 0.00 C ATOM 433 O GLU A 27 84.290 73.050 45.850 1.00 0.00 O ATOM 434 CB GLU A 27 81.900 72.410 43.740 1.00 0.00 C ATOM 435 CG GLU A 27 81.020 71.260 43.260 1.00 0.00 C ATOM 436 CD GLU A 27 80.700 71.400 41.780 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.620 72.540 41.290 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.640 70.350 41.120 1.00 0.00 O ATOM 0 H GLU A 27 80.117 72.851 45.538 1.00 0.00 H new ATOM 0 HA GLU A 27 82.490 71.365 45.399 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.435 73.357 43.467 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.861 72.367 43.227 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.526 70.311 43.438 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.095 71.241 43.836 1.00 0.00 H new ATOM 445 N PHE A 28 82.650 74.620 45.880 1.00 0.00 N ATOM 446 CA PHE A 28 83.590 75.650 46.130 1.00 0.00 C ATOM 447 C PHE A 28 84.450 75.460 47.410 1.00 0.00 C ATOM 448 O PHE A 28 85.660 75.710 47.430 1.00 0.00 O ATOM 449 CB PHE A 28 82.820 76.960 46.140 1.00 0.00 C ATOM 450 CG PHE A 28 83.700 78.110 46.540 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.080 78.270 47.880 1.00 0.00 C ATOM 452 CD2 PHE A 28 84.150 79.010 45.580 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.920 79.320 48.250 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.990 80.080 45.960 1.00 0.00 C ATOM 455 CZ PHE A 28 85.370 80.230 47.290 1.00 0.00 C ATOM 0 H PHE A 28 81.667 74.893 45.893 1.00 0.00 H new ATOM 0 HA PHE A 28 84.338 75.635 45.337 1.00 0.00 H new ATOM 0 HB2 PHE A 28 82.403 77.146 45.150 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.980 76.885 46.831 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.721 77.578 48.628 1.00 0.00 H new ATOM 0 HD2 PHE A 28 83.858 78.891 44.547 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.223 79.430 49.281 1.00 0.00 H new ATOM 0 HE2 PHE A 28 85.338 80.783 45.217 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.012 81.049 47.580 1.00 0.00 H new ATOM 465 N SER A 29 83.780 75.110 48.530 1.00 0.00 N ATOM 466 CA SER A 29 84.450 74.880 49.800 1.00 0.00 C ATOM 467 C SER A 29 85.350 73.650 49.630 1.00 0.00 C ATOM 468 O SER A 29 86.530 73.690 50.030 1.00 0.00 O ATOM 469 CB SER A 29 83.430 74.640 50.930 1.00 0.00 C ATOM 470 OG SER A 29 82.680 73.470 50.690 1.00 0.00 O ATOM 0 H SER A 29 82.768 74.983 48.565 1.00 0.00 H new ATOM 0 HA SER A 29 85.037 75.756 50.075 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.951 74.554 51.884 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.760 75.496 51.009 1.00 0.00 H new ATOM 0 HG SER A 29 82.040 73.336 51.420 1.00 0.00 H new ATOM 476 N GLU A 30 84.760 72.570 49.060 1.00 0.00 N ATOM 477 CA GLU A 30 85.440 71.310 49.140 1.00 0.00 C ATOM 478 C GLU A 30 86.700 71.410 48.350 1.00 0.00 C ATOM 479 O GLU A 30 87.750 70.980 48.740 1.00 0.00 O ATOM 480 CB GLU A 30 84.590 70.160 48.620 1.00 0.00 C ATOM 481 CG GLU A 30 83.390 69.880 49.510 1.00 0.00 C ATOM 482 CD GLU A 30 82.510 68.760 48.950 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.920 68.040 48.010 1.00 0.00 O ATOM 484 OE2 GLU A 30 81.510 68.410 49.620 1.00 0.00 O ATOM 0 H GLU A 30 83.864 72.567 48.572 1.00 0.00 H new ATOM 0 HA GLU A 30 85.652 71.095 50.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.246 70.393 47.612 1.00 0.00 H new ATOM 0 HB3 GLU A 30 85.203 69.262 48.548 1.00 0.00 H new ATOM 0 HG2 GLU A 30 83.734 69.606 50.507 1.00 0.00 H new ATOM 0 HG3 GLU A 30 82.797 70.789 49.616 1.00 0.00 H new ATOM 491 N ASP A 31 86.570 71.950 47.170 1.00 0.00 N ATOM 492 CA ASP A 31 87.440 71.790 46.070 1.00 0.00 C ATOM 493 C ASP A 31 87.510 73.020 45.180 1.00 0.00 C ATOM 494 O ASP A 31 86.670 73.900 45.220 1.00 0.00 O ATOM 495 CB ASP A 31 87.050 70.520 45.300 1.00 0.00 C ATOM 496 CG ASP A 31 85.700 70.690 44.670 1.00 0.00 C ATOM 497 OD1 ASP A 31 85.700 71.460 43.680 1.00 0.00 O ATOM 498 OD2 ASP A 31 84.820 69.920 45.140 1.00 0.00 O ATOM 0 H ASP A 31 85.784 72.561 46.950 1.00 0.00 H new ATOM 0 HA ASP A 31 88.455 71.672 46.449 1.00 0.00 H new ATOM 0 HB2 ASP A 31 87.794 70.309 44.532 1.00 0.00 H new ATOM 0 HB3 ASP A 31 87.039 69.665 45.976 1.00 0.00 H new ATOM 503 N LYS A 32 88.540 73.130 44.320 1.00 0.00 N ATOM 504 CA LYS A 32 88.500 74.110 43.240 1.00 0.00 C ATOM 505 C LYS A 32 88.600 73.640 41.760 1.00 0.00 C ATOM 506 O LYS A 32 89.550 72.950 41.360 1.00 0.00 O ATOM 507 CB LYS A 32 89.540 75.160 43.570 1.00 0.00 C ATOM 508 CG LYS A 32 90.950 74.590 43.540 1.00 0.00 C ATOM 509 CD LYS A 32 91.990 75.650 43.810 1.00 0.00 C ATOM 510 CE LYS A 32 93.370 75.060 43.790 1.00 0.00 C ATOM 511 NZ LYS A 32 94.350 76.030 44.110 1.00 0.00 N ATOM 0 H LYS A 32 89.387 72.563 44.356 1.00 0.00 H new ATOM 0 HA LYS A 32 87.475 74.479 43.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.465 75.982 42.858 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.337 75.575 44.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 91.037 73.798 44.283 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.138 74.136 42.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.916 76.438 43.061 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.801 76.113 44.779 1.00 0.00 H new ATOM 0 HE2 LYS A 32 93.426 74.236 44.501 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.576 74.644 42.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 95.293 75.591 44.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.312 76.804 43.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.166 76.408 45.061 1.00 0.00 H new ATOM 525 N ARG A 33 87.580 74.040 40.970 1.00 0.00 N ATOM 526 CA ARG A 33 86.840 73.190 40.040 1.00 0.00 C ATOM 527 C ARG A 33 85.990 73.940 39.010 1.00 0.00 C ATOM 528 O ARG A 33 85.910 75.150 39.000 1.00 0.00 O ATOM 529 CB ARG A 33 85.950 72.270 40.880 1.00 0.00 C ATOM 530 CG ARG A 33 85.250 71.220 40.030 1.00 0.00 C ATOM 531 CD ARG A 33 84.290 70.390 40.840 1.00 0.00 C ATOM 532 NE ARG A 33 85.030 69.520 41.760 1.00 0.00 N ATOM 533 CZ ARG A 33 84.430 68.680 42.580 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.150 68.490 42.510 1.00 0.00 N ATOM 535 NH2 ARG A 33 85.160 67.900 43.350 1.00 0.00 N ATOM 0 H ARG A 33 87.244 75.003 40.970 1.00 0.00 H new ATOM 0 HA ARG A 33 87.571 72.644 39.445 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.555 71.776 41.640 1.00 0.00 H new ATOM 0 HB3 ARG A 33 85.204 72.867 41.405 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.711 71.710 39.219 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.994 70.569 39.571 1.00 0.00 H new ATOM 0 HD2 ARG A 33 83.619 71.040 41.402 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.669 69.787 40.177 1.00 0.00 H new ATOM 0 HE ARG A 33 86.049 69.567 41.766 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.597 68.993 41.816 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.696 67.838 43.149 1.00 0.00 H new ATOM 0 HH21 ARG A 33 86.178 67.950 43.308 1.00 0.00 H new ATOM 0 HH22 ARG A 33 84.708 67.246 43.989 1.00 0.00 H new ATOM 549 N SER A 34 85.400 73.250 38.050 1.00 0.00 N ATOM 550 CA SER A 34 84.470 73.840 37.140 1.00 0.00 C ATOM 551 C SER A 34 83.470 72.860 36.530 1.00 0.00 C ATOM 552 O SER A 34 83.680 71.640 36.560 1.00 0.00 O ATOM 553 CB SER A 34 85.330 74.470 36.070 1.00 0.00 C ATOM 554 OG SER A 34 86.110 73.480 35.420 1.00 0.00 O ATOM 0 H SER A 34 85.563 72.256 37.890 1.00 0.00 H new ATOM 0 HA SER A 34 83.837 74.554 37.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.700 74.982 35.343 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.982 75.223 36.514 1.00 0.00 H new ATOM 0 HG SER A 34 86.418 73.822 34.555 1.00 0.00 H new ATOM 560 N ILE A 35 82.400 73.400 35.960 1.00 0.00 N ATOM 561 CA ILE A 35 81.240 72.620 35.660 1.00 0.00 C ATOM 562 C ILE A 35 80.750 72.980 34.280 1.00 0.00 C ATOM 563 O ILE A 35 80.920 74.090 33.800 1.00 0.00 O ATOM 564 CB ILE A 35 80.130 72.830 36.710 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.590 74.260 36.660 1.00 0.00 C ATOM 566 CG2 ILE A 35 80.660 72.560 38.120 1.00 0.00 C ATOM 567 CD1 ILE A 35 78.360 74.440 37.540 1.00 0.00 C ATOM 0 H ILE A 35 82.327 74.384 35.700 1.00 0.00 H new ATOM 0 HA ILE A 35 81.508 71.564 35.688 1.00 0.00 H new ATOM 0 HB ILE A 35 79.328 72.130 36.476 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.369 74.952 36.980 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.339 74.516 35.631 1.00 0.00 H new ATOM 0 HG21 ILE A 35 79.861 72.714 38.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 81.015 71.531 38.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.482 73.242 38.336 1.00 0.00 H new ATOM 0 HD11 ILE A 35 78.012 75.471 37.473 1.00 0.00 H new ATOM 0 HD12 ILE A 35 77.571 73.768 37.204 1.00 0.00 H new ATOM 0 HD13 ILE A 35 78.616 74.210 38.574 1.00 0.00 H new ATOM 579 N PHE A 36 80.100 72.060 33.610 1.00 0.00 N ATOM 580 CA PHE A 36 79.100 72.370 32.580 1.00 0.00 C ATOM 581 C PHE A 36 77.690 72.420 33.150 1.00 0.00 C ATOM 582 O PHE A 36 77.340 71.650 34.020 1.00 0.00 O ATOM 583 CB PHE A 36 79.200 71.330 31.490 1.00 0.00 C ATOM 584 CG PHE A 36 80.410 71.530 30.620 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.630 70.960 31.000 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.330 72.290 29.450 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.770 71.160 30.220 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.470 72.480 28.670 1.00 0.00 C ATOM 589 CZ PHE A 36 82.700 71.970 29.080 1.00 0.00 C ATOM 0 H PHE A 36 80.241 71.060 33.755 1.00 0.00 H new ATOM 0 HA PHE A 36 79.305 73.361 32.175 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.239 70.338 31.940 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.302 71.366 30.873 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.690 70.364 31.899 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.389 72.728 29.151 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.703 70.691 30.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.399 73.027 27.741 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.595 72.198 28.521 1.00 0.00 H new ATOM 599 N TYR A 37 76.830 73.260 32.600 1.00 0.00 N ATOM 600 CA TYR A 37 75.430 73.350 32.980 1.00 0.00 C ATOM 601 C TYR A 37 74.530 73.100 31.750 1.00 0.00 C ATOM 602 O TYR A 37 74.560 73.850 30.780 1.00 0.00 O ATOM 603 CB TYR A 37 75.160 74.720 33.590 1.00 0.00 C ATOM 604 CG TYR A 37 73.760 74.840 34.130 1.00 0.00 C ATOM 605 CD1 TYR A 37 73.410 74.210 35.310 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.780 75.560 33.450 1.00 0.00 C ATOM 607 CE1 TYR A 37 72.110 74.300 35.820 1.00 0.00 C ATOM 608 CE2 TYR A 37 71.470 75.640 33.960 1.00 0.00 C ATOM 609 CZ TYR A 37 71.140 75.010 35.150 1.00 0.00 C ATOM 610 OH TYR A 37 69.880 75.070 35.650 1.00 0.00 O ATOM 0 H TYR A 37 77.091 73.913 31.861 1.00 0.00 H new ATOM 0 HA TYR A 37 75.200 72.587 33.723 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.874 74.905 34.393 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.323 75.490 32.835 1.00 0.00 H new ATOM 0 HD1 TYR A 37 74.153 73.639 35.847 1.00 0.00 H new ATOM 0 HD2 TYR A 37 73.027 76.060 32.525 1.00 0.00 H new ATOM 0 HE1 TYR A 37 71.865 73.807 36.749 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.717 76.196 33.421 1.00 0.00 H new ATOM 0 HH TYR A 37 69.318 75.611 35.057 1.00 0.00 H new ATOM 620 N PHE A 38 73.710 72.060 31.770 1.00 0.00 N ATOM 621 CA PHE A 38 72.840 71.600 30.700 1.00 0.00 C ATOM 622 C PHE A 38 71.450 72.040 30.920 1.00 0.00 C ATOM 623 O PHE A 38 70.690 71.410 31.650 1.00 0.00 O ATOM 624 CB PHE A 38 72.820 70.120 30.620 1.00 0.00 C ATOM 625 CG PHE A 38 71.850 69.530 29.690 1.00 0.00 C ATOM 626 CD1 PHE A 38 72.160 69.350 28.350 1.00 0.00 C ATOM 627 CD2 PHE A 38 70.620 69.120 30.160 1.00 0.00 C ATOM 628 CE1 PHE A 38 71.170 68.830 27.530 1.00 0.00 C ATOM 629 CE2 PHE A 38 69.730 68.540 29.270 1.00 0.00 C ATOM 630 CZ PHE A 38 69.940 68.460 27.930 1.00 0.00 C ATOM 0 H PHE A 38 73.630 71.471 32.599 1.00 0.00 H new ATOM 0 HA PHE A 38 73.237 72.025 29.778 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.816 69.780 30.336 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.621 69.727 31.617 1.00 0.00 H new ATOM 0 HD1 PHE A 38 73.135 69.605 27.960 1.00 0.00 H new ATOM 0 HD2 PHE A 38 70.356 69.248 31.199 1.00 0.00 H new ATOM 0 HE1 PHE A 38 71.406 68.712 26.483 1.00 0.00 H new ATOM 0 HE2 PHE A 38 68.814 68.127 29.666 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.179 68.126 27.240 1.00 0.00 H new ATOM 640 N ALA A 39 71.110 73.130 30.290 1.00 0.00 N ATOM 641 CA ALA A 39 69.780 73.660 30.420 1.00 0.00 C ATOM 642 C ALA A 39 69.170 74.040 29.120 1.00 0.00 C ATOM 643 O ALA A 39 69.940 74.440 28.210 1.00 0.00 O ATOM 644 CB ALA A 39 69.770 74.820 31.390 1.00 0.00 C ATOM 0 H ALA A 39 71.731 73.667 29.684 1.00 0.00 H new ATOM 0 HA ALA A 39 69.158 72.858 30.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.757 75.211 31.479 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.115 74.480 32.367 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.432 75.605 31.025 1.00 0.00 H new ATOM 650 N PRO A 40 67.810 73.710 29.150 1.00 0.00 N ATOM 651 CA PRO A 40 67.300 73.230 27.900 1.00 0.00 C ATOM 652 C PRO A 40 67.650 73.760 26.510 1.00 0.00 C ATOM 653 O PRO A 40 67.660 74.980 26.370 1.00 0.00 O ATOM 654 CB PRO A 40 65.800 73.270 28.160 1.00 0.00 C ATOM 655 CG PRO A 40 65.660 73.390 29.660 1.00 0.00 C ATOM 656 CD PRO A 40 66.880 72.680 30.040 1.00 0.00 C ATOM 0 HA PRO A 40 67.829 72.294 27.723 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.335 74.115 27.652 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.312 72.368 27.790 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.646 74.424 30.004 1.00 0.00 H new ATOM 0 HG3 PRO A 40 64.756 72.915 30.041 1.00 0.00 H new ATOM 0 HD2 PRO A 40 67.093 72.687 31.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.918 71.640 29.715 1.00 0.00 H new ATOM 664 N THR A 41 67.720 72.900 25.480 1.00 0.00 N ATOM 665 CA THR A 41 67.630 73.450 24.120 1.00 0.00 C ATOM 666 C THR A 41 66.260 74.000 23.910 1.00 0.00 C ATOM 667 O THR A 41 66.080 75.080 23.400 1.00 0.00 O ATOM 668 CB THR A 41 67.940 72.470 23.010 1.00 0.00 C ATOM 669 OG1 THR A 41 69.200 72.010 23.060 1.00 0.00 O ATOM 670 CG2 THR A 41 67.680 73.010 21.640 1.00 0.00 C ATOM 0 H THR A 41 67.831 71.889 25.551 1.00 0.00 H new ATOM 0 HA THR A 41 68.399 74.220 24.060 1.00 0.00 H new ATOM 0 HB THR A 41 67.248 71.647 23.189 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.744 72.605 23.617 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.925 72.251 20.897 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.628 73.280 21.549 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.297 73.893 21.474 1.00 0.00 H new ATOM 678 N ASN A 42 65.280 73.220 24.320 1.00 0.00 N ATOM 679 CA ASN A 42 63.860 73.300 24.020 1.00 0.00 C ATOM 680 C ASN A 42 62.990 74.340 24.770 1.00 0.00 C ATOM 681 O ASN A 42 61.850 74.560 24.360 1.00 0.00 O ATOM 682 CB ASN A 42 63.320 71.900 24.220 1.00 0.00 C ATOM 683 CG ASN A 42 63.490 71.400 25.640 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.590 71.310 26.130 1.00 0.00 O ATOM 685 ND2 ASN A 42 62.400 71.130 26.340 1.00 0.00 N ATOM 0 H ASN A 42 65.477 72.431 24.936 1.00 0.00 H new ATOM 0 HA ASN A 42 63.787 73.682 23.002 1.00 0.00 H new ATOM 0 HB2 ASN A 42 62.262 71.883 23.958 1.00 0.00 H new ATOM 0 HB3 ASN A 42 63.828 71.219 23.537 1.00 0.00 H new ATOM 0 HD21 ASN A 42 62.479 70.839 27.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 61.481 71.213 25.905 1.00 0.00 H new ATOM 692 N ALA A 43 63.460 74.970 25.860 1.00 0.00 N ATOM 693 CA ALA A 43 62.830 76.240 26.250 1.00 0.00 C ATOM 694 C ALA A 43 63.740 77.480 26.290 1.00 0.00 C ATOM 695 O ALA A 43 63.310 78.600 26.130 1.00 0.00 O ATOM 696 CB ALA A 43 62.160 76.010 27.600 1.00 0.00 C ATOM 0 H ALA A 43 64.224 74.647 26.453 1.00 0.00 H new ATOM 0 HA ALA A 43 62.122 76.495 25.462 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.678 76.931 27.929 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.412 75.223 27.506 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.910 75.712 28.332 1.00 0.00 H new ATOM 702 N HIS A 44 65.010 77.270 26.550 1.00 0.00 N ATOM 703 CA HIS A 44 66.020 78.240 26.980 1.00 0.00 C ATOM 704 C HIS A 44 65.690 78.950 28.260 1.00 0.00 C ATOM 705 O HIS A 44 66.010 80.130 28.450 1.00 0.00 O ATOM 706 CB HIS A 44 66.250 79.210 25.890 1.00 0.00 C ATOM 707 CG HIS A 44 66.820 78.680 24.630 1.00 0.00 C ATOM 708 ND1 HIS A 44 66.010 78.230 23.620 1.00 0.00 N ATOM 709 CD2 HIS A 44 68.110 78.470 24.270 1.00 0.00 C ATOM 710 CE1 HIS A 44 66.800 77.740 22.660 1.00 0.00 C ATOM 711 NE2 HIS A 44 68.080 77.880 23.030 1.00 0.00 N ATOM 0 H HIS A 44 65.409 76.336 26.461 1.00 0.00 H new ATOM 0 HA HIS A 44 66.928 77.677 27.195 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.299 79.690 25.657 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.916 79.988 26.263 1.00 0.00 H new ATOM 0 HD1 HIS A 44 64.991 78.263 23.604 1.00 0.00 H new ATOM 0 HD2 HIS A 44 68.989 78.718 24.846 1.00 0.00 H new ATOM 0 HE1 HIS A 44 66.461 77.301 21.733 1.00 0.00 H new ATOM 719 N LYS A 45 65.040 78.190 29.150 1.00 0.00 N ATOM 720 CA LYS A 45 64.490 78.760 30.360 1.00 0.00 C ATOM 721 C LYS A 45 65.330 78.600 31.590 1.00 0.00 C ATOM 722 O LYS A 45 65.620 79.570 32.290 1.00 0.00 O ATOM 723 CB LYS A 45 63.080 78.230 30.560 1.00 0.00 C ATOM 724 CG LYS A 45 62.420 78.840 31.800 1.00 0.00 C ATOM 725 CD LYS A 45 61.010 78.280 31.990 1.00 0.00 C ATOM 726 CE LYS A 45 60.350 78.870 33.230 1.00 0.00 C ATOM 727 NZ LYS A 45 59.000 78.290 33.420 1.00 0.00 N ATOM 0 H LYS A 45 64.889 77.187 29.045 1.00 0.00 H new ATOM 0 HA LYS A 45 64.473 79.840 30.213 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.478 78.454 29.679 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.109 77.145 30.659 1.00 0.00 H new ATOM 0 HG2 LYS A 45 63.024 78.627 32.682 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.376 79.924 31.699 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.405 78.503 31.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 61.055 77.195 32.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.965 78.671 34.107 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.277 79.953 33.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.562 78.701 34.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.411 78.502 32.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.078 77.259 33.535 1.00 0.00 H new ATOM 741 N ASP A 46 65.640 77.320 31.830 1.00 0.00 N ATOM 742 CA ASP A 46 66.540 76.930 32.910 1.00 0.00 C ATOM 743 C ASP A 46 67.900 77.600 32.650 1.00 0.00 C ATOM 744 O ASP A 46 68.530 78.110 33.560 1.00 0.00 O ATOM 745 CB ASP A 46 66.680 75.410 33.010 1.00 0.00 C ATOM 746 CG ASP A 46 65.390 74.790 33.510 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.550 75.600 34.020 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.290 73.540 33.390 1.00 0.00 O ATOM 0 H ASP A 46 65.277 76.538 31.286 1.00 0.00 H new ATOM 0 HA ASP A 46 66.133 77.259 33.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.934 74.997 32.034 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.497 75.158 33.685 1.00 0.00 H new ATOM 753 N MET A 47 68.290 77.700 31.380 1.00 0.00 N ATOM 754 CA MET A 47 69.530 78.360 31.030 1.00 0.00 C ATOM 755 C MET A 47 69.550 79.850 31.370 1.00 0.00 C ATOM 756 O MET A 47 70.510 80.380 31.920 1.00 0.00 O ATOM 757 CB MET A 47 69.760 78.130 29.550 1.00 0.00 C ATOM 758 CG MET A 47 71.090 78.730 29.110 1.00 0.00 C ATOM 759 SD MET A 47 71.370 78.580 27.340 1.00 0.00 S ATOM 760 CE MET A 47 70.190 79.820 26.770 1.00 0.00 C ATOM 0 H MET A 47 67.764 77.333 30.587 1.00 0.00 H new ATOM 0 HA MET A 47 70.336 77.932 31.627 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.750 77.061 29.338 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.947 78.576 28.977 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.119 79.783 29.390 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.901 78.236 29.645 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.408 80.081 25.734 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.179 79.418 26.838 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.269 80.711 27.393 1.00 0.00 H new ATOM 770 N LEU A 48 68.450 80.520 31.020 1.00 0.00 N ATOM 771 CA LEU A 48 68.360 81.940 31.300 1.00 0.00 C ATOM 772 C LEU A 48 68.500 82.230 32.790 1.00 0.00 C ATOM 773 O LEU A 48 69.160 83.160 33.220 1.00 0.00 O ATOM 774 CB LEU A 48 67.070 82.520 30.690 1.00 0.00 C ATOM 775 CG LEU A 48 66.970 84.040 30.930 1.00 0.00 C ATOM 776 CD1 LEU A 48 68.060 84.790 30.210 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.630 84.540 30.410 1.00 0.00 C ATOM 0 H LEU A 48 67.638 80.112 30.557 1.00 0.00 H new ATOM 0 HA LEU A 48 69.199 82.446 30.823 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.048 82.317 29.619 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.204 82.023 31.126 1.00 0.00 H new ATOM 0 HG LEU A 48 67.071 84.215 32.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.956 85.858 30.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 69.032 84.450 30.566 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.982 84.606 29.138 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.553 85.614 30.577 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.553 84.332 29.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.823 84.032 30.938 1.00 0.00 H new ATOM 789 N LYS A 49 67.840 81.410 33.590 1.00 0.00 N ATOM 790 CA LYS A 49 67.820 81.480 35.020 1.00 0.00 C ATOM 791 C LYS A 49 69.160 81.190 35.640 1.00 0.00 C ATOM 792 O LYS A 49 69.460 81.780 36.650 1.00 0.00 O ATOM 793 CB LYS A 49 66.780 80.500 35.540 1.00 0.00 C ATOM 794 CG LYS A 49 65.370 80.990 35.250 1.00 0.00 C ATOM 795 CD LYS A 49 64.320 80.030 35.760 1.00 0.00 C ATOM 796 CE LYS A 49 62.910 80.550 35.490 1.00 0.00 C ATOM 797 NZ LYS A 49 61.920 79.570 36.000 1.00 0.00 N ATOM 0 H LYS A 49 67.277 80.640 33.228 1.00 0.00 H new ATOM 0 HA LYS A 49 67.566 82.502 35.302 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.932 79.525 35.077 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.908 80.366 36.614 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.223 81.966 35.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.247 81.124 34.175 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.449 79.059 35.281 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.454 79.877 36.831 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.767 81.515 35.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.766 80.707 34.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.969 79.834 35.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.158 78.621 35.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.938 79.567 37.040 1.00 0.00 H new ATOM 811 N ALA A 50 69.910 80.280 35.040 1.00 0.00 N ATOM 812 CA ALA A 50 71.240 79.920 35.480 1.00 0.00 C ATOM 813 C ALA A 50 72.130 81.130 35.510 1.00 0.00 C ATOM 814 O ALA A 50 72.840 81.320 36.470 1.00 0.00 O ATOM 815 CB ALA A 50 71.840 78.880 34.550 1.00 0.00 C ATOM 0 H ALA A 50 69.601 79.763 34.217 1.00 0.00 H new ATOM 0 HA ALA A 50 71.164 79.506 36.485 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.841 78.619 34.894 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.213 77.989 34.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.897 79.285 33.540 1.00 0.00 H new ATOM 821 N VAL A 51 72.070 81.970 34.490 1.00 0.00 N ATOM 822 CA VAL A 51 72.930 83.180 34.430 1.00 0.00 C ATOM 823 C VAL A 51 72.690 84.020 35.710 1.00 0.00 C ATOM 824 O VAL A 51 73.620 84.440 36.400 1.00 0.00 O ATOM 825 CB VAL A 51 72.620 84.030 33.170 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.440 85.290 33.150 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.920 83.250 31.880 1.00 0.00 C ATOM 0 H VAL A 51 71.447 81.854 33.691 1.00 0.00 H new ATOM 0 HA VAL A 51 73.974 82.872 34.370 1.00 0.00 H new ATOM 0 HB VAL A 51 71.559 84.275 33.215 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.201 85.865 32.255 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.214 85.885 34.035 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.500 85.034 33.145 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.692 83.874 31.016 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.974 82.973 31.859 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.307 82.349 31.849 1.00 0.00 H new ATOM 837 N ASP A 52 71.420 84.220 36.010 1.00 0.00 N ATOM 838 CA ASP A 52 70.940 84.990 37.160 1.00 0.00 C ATOM 839 C ASP A 52 71.320 84.330 38.470 1.00 0.00 C ATOM 840 O ASP A 52 71.800 85.030 39.360 1.00 0.00 O ATOM 841 CB ASP A 52 69.430 85.160 37.070 1.00 0.00 C ATOM 842 CG ASP A 52 69.140 86.110 35.930 1.00 0.00 C ATOM 843 OD1 ASP A 52 70.120 86.690 35.380 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.970 86.200 35.590 1.00 0.00 O ATOM 0 H ASP A 52 70.661 83.840 35.444 1.00 0.00 H new ATOM 0 HA ASP A 52 71.417 85.970 37.137 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.947 84.198 36.898 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.033 85.554 38.006 1.00 0.00 H new ATOM 849 N PHE A 53 71.140 82.990 38.550 1.00 0.00 N ATOM 850 CA PHE A 53 71.460 82.310 39.780 1.00 0.00 C ATOM 851 C PHE A 53 72.910 82.590 40.140 1.00 0.00 C ATOM 852 O PHE A 53 73.240 82.650 41.330 1.00 0.00 O ATOM 853 CB PHE A 53 71.050 80.830 39.680 1.00 0.00 C ATOM 854 CG PHE A 53 69.590 80.610 39.640 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.750 81.510 40.300 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.050 79.530 38.940 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.370 81.330 40.250 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.670 79.340 38.900 1.00 0.00 C ATOM 859 CZ PHE A 53 66.850 80.250 39.560 1.00 0.00 C ATOM 0 H PHE A 53 70.788 82.398 37.798 1.00 0.00 H new ATOM 0 HA PHE A 53 70.883 82.689 40.624 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.496 80.400 38.783 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.465 80.291 40.532 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.169 82.342 40.847 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.704 78.839 38.428 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.711 82.028 40.746 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.245 78.502 38.367 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.780 80.109 39.533 1.00 0.00 H new ATOM 869 N PHE A 54 73.750 82.600 39.050 1.00 0.00 N ATOM 870 CA PHE A 54 75.200 82.230 39.240 1.00 0.00 C ATOM 871 C PHE A 54 75.740 83.490 39.790 1.00 0.00 C ATOM 872 O PHE A 54 76.610 83.490 40.630 1.00 0.00 O ATOM 873 CB PHE A 54 75.890 81.830 37.930 1.00 0.00 C ATOM 874 CG PHE A 54 75.570 80.430 37.460 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.380 79.390 38.310 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.460 80.130 36.150 1.00 0.00 C ATOM 877 CE1 PHE A 54 75.000 78.150 37.860 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.180 78.870 35.620 1.00 0.00 C ATOM 879 CZ PHE A 54 74.950 77.850 36.510 1.00 0.00 C ATOM 0 H PHE A 54 73.477 82.841 38.097 1.00 0.00 H new ATOM 0 HA PHE A 54 75.352 81.356 39.874 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.603 82.537 37.151 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.969 81.919 38.059 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.532 79.542 39.369 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.601 80.938 35.447 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.733 77.389 38.578 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.146 78.704 34.553 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.737 76.848 36.168 1.00 0.00 H new ATOM 889 N LYS A 55 75.140 84.610 39.340 1.00 0.00 N ATOM 890 CA LYS A 55 75.360 85.920 39.850 1.00 0.00 C ATOM 891 C LYS A 55 74.850 86.180 41.220 1.00 0.00 C ATOM 892 O LYS A 55 75.530 86.820 42.000 1.00 0.00 O ATOM 893 CB LYS A 55 74.740 86.910 38.880 1.00 0.00 C ATOM 894 CG LYS A 55 75.510 86.890 37.570 1.00 0.00 C ATOM 895 CD LYS A 55 74.900 87.880 36.580 1.00 0.00 C ATOM 896 CE LYS A 55 75.670 87.900 35.280 1.00 0.00 C ATOM 897 NZ LYS A 55 75.090 88.880 34.350 1.00 0.00 N ATOM 0 H LYS A 55 74.464 84.593 38.576 1.00 0.00 H new ATOM 0 HA LYS A 55 76.441 86.032 39.939 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.695 86.656 38.703 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.756 87.912 39.308 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.555 87.143 37.751 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.494 85.886 37.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.862 87.611 36.386 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.894 88.878 37.017 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.714 88.147 35.473 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.656 86.908 34.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.632 88.880 33.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.101 88.627 34.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.126 89.828 34.777 1.00 0.00 H new ATOM 911 N GLU A 56 73.640 85.740 41.500 1.00 0.00 N ATOM 912 CA GLU A 56 73.070 85.980 42.800 1.00 0.00 C ATOM 913 C GLU A 56 73.940 85.390 43.940 1.00 0.00 C ATOM 914 O GLU A 56 74.130 86.020 44.980 1.00 0.00 O ATOM 915 CB GLU A 56 71.660 85.420 42.860 1.00 0.00 C ATOM 916 CG GLU A 56 70.680 86.240 42.010 1.00 0.00 C ATOM 917 CD GLU A 56 69.330 85.520 42.000 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.170 84.440 42.580 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.310 85.890 41.430 1.00 0.00 O ATOM 0 H GLU A 56 73.044 85.223 40.853 1.00 0.00 H new ATOM 0 HA GLU A 56 73.037 87.059 42.951 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.665 84.387 42.512 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.319 85.406 43.895 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.571 87.244 42.420 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.059 86.349 40.994 1.00 0.00 H new ATOM 926 N LYS A 57 74.460 84.190 43.780 1.00 0.00 N ATOM 927 CA LYS A 57 75.300 83.550 44.810 1.00 0.00 C ATOM 928 C LYS A 57 76.800 83.660 44.480 1.00 0.00 C ATOM 929 O LYS A 57 77.180 83.540 43.340 1.00 0.00 O ATOM 930 CB LYS A 57 74.860 82.100 44.970 1.00 0.00 C ATOM 931 CG LYS A 57 73.490 81.930 45.620 1.00 0.00 C ATOM 932 CD LYS A 57 73.130 80.460 45.810 1.00 0.00 C ATOM 933 CE LYS A 57 71.750 80.310 46.430 1.00 0.00 C ATOM 934 NZ LYS A 57 71.420 78.890 46.620 1.00 0.00 N ATOM 0 H LYS A 57 74.322 83.622 42.944 1.00 0.00 H new ATOM 0 HA LYS A 57 75.164 84.073 45.757 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.845 81.626 43.988 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.602 81.571 45.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.482 82.434 46.587 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.733 82.413 45.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.157 79.948 44.848 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.873 79.980 46.447 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.718 80.828 47.389 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.004 80.780 45.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.517 78.677 46.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.172 78.301 46.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.337 78.686 47.636 1.00 0.00 H new ATOM 948 N GLY A 58 77.600 83.790 45.540 1.00 0.00 N ATOM 949 CA GLY A 58 79.000 84.190 45.550 1.00 0.00 C ATOM 950 C GLY A 58 79.960 83.030 45.200 1.00 0.00 C ATOM 951 O GLY A 58 81.130 83.070 45.430 1.00 0.00 O ATOM 0 H GLY A 58 77.256 83.603 46.482 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.145 85.003 44.838 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.254 84.580 46.536 1.00 0.00 H new ATOM 955 N HIS A 59 79.470 81.890 44.860 1.00 0.00 N ATOM 956 CA HIS A 59 80.090 80.590 44.940 1.00 0.00 C ATOM 957 C HIS A 59 80.810 80.200 43.700 1.00 0.00 C ATOM 958 O HIS A 59 81.210 79.050 43.590 1.00 0.00 O ATOM 959 CB HIS A 59 78.980 79.590 45.240 1.00 0.00 C ATOM 960 CG HIS A 59 78.380 79.790 46.590 1.00 0.00 C ATOM 961 ND1 HIS A 59 77.130 80.160 46.940 1.00 0.00 N flip ATOM 962 CD2 HIS A 59 79.080 79.620 47.770 1.00 0.00 C flip ATOM 963 CE1 HIS A 59 77.050 80.220 48.300 1.00 0.00 C flip ATOM 964 NE2 HIS A 59 78.250 79.890 48.770 1.00 0.00 N flip ATOM 0 H HIS A 59 78.527 81.826 44.477 1.00 0.00 H new ATOM 0 HA HIS A 59 80.850 80.610 45.721 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.201 79.679 44.483 1.00 0.00 H new ATOM 0 HB3 HIS A 59 79.379 78.578 45.170 1.00 0.00 H new ATOM 0 HD2 HIS A 59 80.114 79.322 47.861 1.00 0.00 H new ATOM 0 HE1 HIS A 59 76.180 80.484 48.883 1.00 0.00 H new ATOM 0 HE2 HIS A 59 78.497 79.850 49.759 1.00 0.00 H new ATOM 972 N THR A 60 81.000 81.120 42.760 1.00 0.00 N ATOM 973 CA THR A 60 81.220 80.660 41.380 1.00 0.00 C ATOM 974 C THR A 60 82.650 80.930 40.890 1.00 0.00 C ATOM 975 O THR A 60 83.610 80.630 41.590 1.00 0.00 O ATOM 976 CB THR A 60 80.190 81.280 40.460 1.00 0.00 C ATOM 977 OG1 THR A 60 80.370 82.660 40.480 1.00 0.00 O ATOM 978 CG2 THR A 60 78.770 81.030 40.930 1.00 0.00 C ATOM 0 H THR A 60 81.008 82.130 42.905 1.00 0.00 H new ATOM 0 HA THR A 60 81.098 79.577 41.367 1.00 0.00 H new ATOM 0 HB THR A 60 80.324 80.838 39.473 1.00 0.00 H new ATOM 0 HG1 THR A 60 79.714 83.084 39.889 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.070 81.495 40.236 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.583 79.957 40.969 1.00 0.00 H new ATOM 0 HG23 THR A 60 78.635 81.458 41.923 1.00 0.00 H new ATOM 986 N ALA A 61 82.920 81.560 39.760 1.00 0.00 N ATOM 987 CA ALA A 61 84.080 82.460 39.760 1.00 0.00 C ATOM 988 C ALA A 61 83.780 83.430 38.690 1.00 0.00 C ATOM 989 O ALA A 61 83.850 84.620 38.950 1.00 0.00 O ATOM 990 CB ALA A 61 85.430 81.800 39.470 1.00 0.00 C ATOM 0 H ALA A 61 82.401 81.483 38.885 1.00 0.00 H new ATOM 0 HA ALA A 61 84.201 82.882 40.758 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.216 82.554 39.494 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.633 81.040 40.224 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.404 81.335 38.484 1.00 0.00 H new ATOM 996 N TYR A 62 83.420 82.820 37.540 1.00 0.00 N ATOM 997 CA TYR A 62 82.800 83.360 36.330 1.00 0.00 C ATOM 998 C TYR A 62 81.880 82.310 35.690 1.00 0.00 C ATOM 999 O TYR A 62 81.900 81.140 36.030 1.00 0.00 O ATOM 1000 CB TYR A 62 83.850 83.850 35.330 1.00 0.00 C ATOM 1001 CG TYR A 62 84.800 84.860 35.900 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.980 84.450 36.520 1.00 0.00 C ATOM 1003 CD2 TYR A 62 84.490 86.220 35.860 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.870 85.390 37.070 1.00 0.00 C ATOM 1005 CE2 TYR A 62 85.380 87.170 36.400 1.00 0.00 C ATOM 1006 CZ TYR A 62 86.550 86.750 37.030 1.00 0.00 C ATOM 1007 OH TYR A 62 87.420 87.660 37.530 1.00 0.00 O ATOM 0 H TYR A 62 83.580 81.818 37.435 1.00 0.00 H new ATOM 0 HA TYR A 62 82.199 84.223 36.616 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.419 82.995 34.965 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.343 84.286 34.469 1.00 0.00 H new ATOM 0 HD1 TYR A 62 86.213 83.397 36.579 1.00 0.00 H new ATOM 0 HD2 TYR A 62 83.563 86.546 35.413 1.00 0.00 H new ATOM 0 HE1 TYR A 62 87.795 85.063 37.521 1.00 0.00 H new ATOM 0 HE2 TYR A 62 85.155 88.224 36.326 1.00 0.00 H new ATOM 0 HH TYR A 62 87.048 88.561 37.424 1.00 0.00 H new ATOM 1017 N LEU A 63 81.020 82.700 34.760 1.00 0.00 N ATOM 1018 CA LEU A 63 80.350 81.820 33.740 1.00 0.00 C ATOM 1019 C LEU A 63 80.360 82.320 32.260 1.00 0.00 C ATOM 1020 O LEU A 63 80.150 83.500 32.030 1.00 0.00 O ATOM 1021 CB LEU A 63 78.920 81.590 34.240 1.00 0.00 C ATOM 1022 CG LEU A 63 78.060 80.870 33.190 1.00 0.00 C ATOM 1023 CD1 LEU A 63 76.850 80.310 33.800 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.580 81.840 32.120 1.00 0.00 C ATOM 0 H LEU A 63 80.740 83.677 34.669 1.00 0.00 H new ATOM 0 HA LEU A 63 80.935 80.903 33.671 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.945 81.000 35.156 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.463 82.548 34.490 1.00 0.00 H new ATOM 0 HG LEU A 63 78.687 80.088 32.762 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.258 79.805 33.037 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.130 79.595 34.574 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.261 81.113 34.244 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.974 81.305 31.389 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.982 82.625 32.583 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.440 82.286 31.621 1.00 0.00 H new ATOM 1036 N ASP A 64 80.470 81.450 31.250 1.00 0.00 N ATOM 1037 CA ASP A 64 80.410 81.810 29.840 1.00 0.00 C ATOM 1038 C ASP A 64 79.940 80.590 29.060 1.00 0.00 C ATOM 1039 O ASP A 64 80.000 79.480 29.560 1.00 0.00 O ATOM 1040 CB ASP A 64 81.770 82.270 29.330 1.00 0.00 C ATOM 1041 CG ASP A 64 81.560 83.080 28.050 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.340 83.200 27.690 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.600 83.550 27.500 1.00 0.00 O ATOM 0 H ASP A 64 80.607 80.451 31.401 1.00 0.00 H new ATOM 0 HA ASP A 64 79.716 82.639 29.706 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.272 82.877 30.084 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.411 81.411 29.134 1.00 0.00 H new ATOM 1048 N GLU A 65 79.420 80.730 27.870 1.00 0.00 N ATOM 1049 CA GLU A 65 78.830 79.670 27.100 1.00 0.00 C ATOM 1050 C GLU A 65 79.890 78.600 26.820 1.00 0.00 C ATOM 1051 O GLU A 65 81.080 78.880 26.780 1.00 0.00 O ATOM 1052 CB GLU A 65 78.210 80.230 25.830 1.00 0.00 C ATOM 1053 CG GLU A 65 76.990 81.080 26.000 1.00 0.00 C ATOM 1054 CD GLU A 65 76.450 81.670 24.740 1.00 0.00 C ATOM 1055 OE1 GLU A 65 77.080 81.480 23.680 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.370 82.300 24.770 1.00 0.00 O ATOM 0 H GLU A 65 79.396 81.629 27.389 1.00 0.00 H new ATOM 0 HA GLU A 65 78.023 79.197 27.660 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.967 80.819 25.312 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.955 79.395 25.178 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.209 80.479 26.465 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.223 81.890 26.691 1.00 0.00 H new ATOM 1063 N VAL A 66 79.530 77.350 26.550 1.00 0.00 N ATOM 1064 CA VAL A 66 80.220 76.680 25.460 1.00 0.00 C ATOM 1065 C VAL A 66 80.020 77.400 24.100 1.00 0.00 C ATOM 1066 O VAL A 66 78.940 77.800 23.750 1.00 0.00 O ATOM 1067 CB VAL A 66 79.780 75.220 25.370 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.510 74.500 24.250 1.00 0.00 C ATOM 1069 CG2 VAL A 66 80.110 74.500 26.670 1.00 0.00 C ATOM 0 H VAL A 66 78.813 76.811 27.035 1.00 0.00 H new ATOM 0 HA VAL A 66 81.287 76.717 25.682 1.00 0.00 H new ATOM 0 HB VAL A 66 78.707 75.211 25.179 1.00 0.00 H new ATOM 0 HG11 VAL A 66 80.178 73.463 24.208 1.00 0.00 H new ATOM 0 HG12 VAL A 66 80.293 74.989 23.301 1.00 0.00 H new ATOM 0 HG13 VAL A 66 81.583 74.530 24.437 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.794 73.459 26.600 1.00 0.00 H new ATOM 0 HG22 VAL A 66 81.185 74.542 26.846 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.588 74.983 27.496 1.00 0.00 H new ATOM 1079 N ARG A 67 80.970 77.460 23.170 1.00 0.00 N ATOM 1080 CA ARG A 67 80.590 77.290 21.740 1.00 0.00 C ATOM 1081 C ARG A 67 80.520 75.870 21.120 1.00 0.00 C ATOM 1082 O ARG A 67 81.200 75.560 20.210 1.00 0.00 O ATOM 1083 CB ARG A 67 81.500 78.210 20.940 1.00 0.00 C ATOM 1084 CG ARG A 67 81.280 79.680 21.290 1.00 0.00 C ATOM 1085 CD ARG A 67 79.840 80.090 21.040 1.00 0.00 C ATOM 1086 NE ARG A 67 79.630 81.500 21.410 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.460 82.110 21.320 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.420 81.460 20.850 1.00 0.00 N ATOM 1089 NH2 ARG A 67 78.330 83.370 21.650 1.00 0.00 N ATOM 0 H ARG A 67 81.962 77.616 23.349 1.00 0.00 H new ATOM 0 HA ARG A 67 79.532 77.547 21.695 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.540 77.944 21.129 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.321 78.060 19.875 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.534 79.850 22.336 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.948 80.303 20.695 1.00 0.00 H new ATOM 0 HD2 ARG A 67 79.592 79.944 19.989 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.170 79.453 21.617 1.00 0.00 H new ATOM 0 HE ARG A 67 80.428 82.034 21.754 1.00 0.00 H new ATOM 0 HH11 ARG A 67 77.516 80.488 20.556 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.516 81.927 20.779 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.138 83.896 21.982 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.421 83.826 21.575 1.00 0.00 H new ATOM 1103 N VAL A 68 79.610 75.010 21.520 1.00 0.00 N ATOM 1104 CA VAL A 68 78.610 74.330 20.690 1.00 0.00 C ATOM 1105 C VAL A 68 77.280 74.950 21.010 1.00 0.00 C ATOM 1106 O VAL A 68 76.270 74.410 20.570 1.00 0.00 O ATOM 1107 CB VAL A 68 78.550 72.810 20.940 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.880 72.170 20.580 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.250 72.520 22.410 1.00 0.00 C ATOM 0 H VAL A 68 79.534 74.741 22.501 1.00 0.00 H new ATOM 0 HA VAL A 68 78.880 74.452 19.641 1.00 0.00 H new ATOM 0 HB VAL A 68 77.757 72.396 20.318 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.828 71.096 20.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.098 72.351 19.528 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.670 72.603 21.194 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.211 71.442 22.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.034 72.950 23.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.290 72.961 22.679 1.00 0.00 H new ATOM 1119 N SER A 69 77.240 76.070 21.760 1.00 0.00 N ATOM 1120 CA SER A 69 75.950 76.630 22.090 1.00 0.00 C ATOM 1121 C SER A 69 75.240 77.090 20.820 1.00 0.00 C ATOM 1122 O SER A 69 74.080 76.930 20.630 1.00 0.00 O ATOM 1123 CB SER A 69 76.110 77.810 23.010 1.00 0.00 C ATOM 1124 OG SER A 69 76.780 78.880 22.430 1.00 0.00 O ATOM 0 H SER A 69 78.051 76.570 22.124 1.00 0.00 H new ATOM 0 HA SER A 69 75.360 75.859 22.586 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.124 78.143 23.336 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.651 77.494 23.902 1.00 0.00 H new ATOM 0 HG SER A 69 76.778 79.641 23.048 1.00 0.00 H new ATOM 1130 N THR A 70 75.960 77.680 19.900 1.00 0.00 N ATOM 1131 CA THR A 70 75.470 78.260 18.680 1.00 0.00 C ATOM 1132 C THR A 70 74.750 77.210 17.810 1.00 0.00 C ATOM 1133 O THR A 70 73.730 77.510 17.240 1.00 0.00 O ATOM 1134 CB THR A 70 76.660 78.890 17.940 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.260 79.890 18.720 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.200 79.510 16.680 1.00 0.00 C ATOM 0 H THR A 70 76.972 77.773 19.992 1.00 0.00 H new ATOM 0 HA THR A 70 74.731 79.029 18.904 1.00 0.00 H new ATOM 0 HB THR A 70 77.381 78.098 17.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 78.016 80.277 18.231 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.050 79.954 16.162 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.745 78.750 16.045 1.00 0.00 H new ATOM 0 HG23 THR A 70 75.466 80.284 16.902 1.00 0.00 H new ATOM 1144 N ASP A 71 75.300 76.010 17.730 1.00 0.00 N ATOM 1145 CA ASP A 71 74.660 74.780 17.230 1.00 0.00 C ATOM 1146 C ASP A 71 73.560 74.190 18.080 1.00 0.00 C ATOM 1147 O ASP A 71 72.530 73.900 17.530 1.00 0.00 O ATOM 1148 CB ASP A 71 75.780 73.770 17.080 1.00 0.00 C ATOM 1149 CG ASP A 71 76.670 74.140 15.920 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.170 75.030 15.210 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.780 73.580 15.790 1.00 0.00 O ATOM 0 H ASP A 71 76.262 75.847 18.027 1.00 0.00 H new ATOM 0 HA ASP A 71 74.147 75.037 16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.366 73.729 17.998 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.363 72.775 16.924 1.00 0.00 H new ATOM 1156 N GLU A 72 73.710 74.100 19.410 1.00 0.00 N ATOM 1157 CA GLU A 72 72.740 73.420 20.230 1.00 0.00 C ATOM 1158 C GLU A 72 71.900 74.220 21.200 1.00 0.00 C ATOM 1159 O GLU A 72 70.740 73.950 21.500 1.00 0.00 O ATOM 1160 CB GLU A 72 73.370 72.210 20.890 1.00 0.00 C ATOM 1161 CG GLU A 72 73.860 71.160 19.890 1.00 0.00 C ATOM 1162 CD GLU A 72 74.530 70.030 20.620 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.660 70.090 21.860 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.950 69.070 19.980 1.00 0.00 O ATOM 0 H GLU A 72 74.498 74.494 19.924 1.00 0.00 H new ATOM 0 HA GLU A 72 71.979 73.131 19.505 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.209 72.536 21.504 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.643 71.751 21.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.020 70.781 19.307 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.558 71.614 19.186 1.00 0.00 H new ATOM 1171 N LYS A 73 72.540 75.240 21.720 1.00 0.00 N ATOM 1172 CA LYS A 73 72.290 75.990 22.940 1.00 0.00 C ATOM 1173 C LYS A 73 72.010 75.210 24.270 1.00 0.00 C ATOM 1174 O LYS A 73 71.150 75.640 25.030 1.00 0.00 O ATOM 1175 CB LYS A 73 71.160 76.950 22.580 1.00 0.00 C ATOM 1176 CG LYS A 73 71.610 78.060 21.630 1.00 0.00 C ATOM 1177 CD LYS A 73 70.450 78.990 21.300 1.00 0.00 C ATOM 1178 CE LYS A 73 70.870 80.100 20.360 1.00 0.00 C ATOM 1179 NZ LYS A 73 69.770 81.010 20.060 1.00 0.00 N ATOM 0 H LYS A 73 73.356 75.616 21.237 1.00 0.00 H new ATOM 0 HA LYS A 73 73.226 76.471 23.224 1.00 0.00 H new ATOM 0 HB2 LYS A 73 70.346 76.390 22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.763 77.396 23.492 1.00 0.00 H new ATOM 0 HG2 LYS A 73 72.420 78.629 22.086 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.004 77.623 20.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 69.642 78.416 20.847 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.057 79.422 22.220 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.692 80.660 20.805 1.00 0.00 H new ATOM 0 HE3 LYS A 73 71.245 79.667 19.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.102 81.754 19.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 68.995 80.482 19.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 69.428 81.444 20.941 1.00 0.00 H new ATOM 1193 N ASP A 74 72.750 74.150 24.620 1.00 0.00 N ATOM 1194 CA ASP A 74 72.530 73.470 25.890 1.00 0.00 C ATOM 1195 C ASP A 74 73.460 73.830 27.030 1.00 0.00 C ATOM 1196 O ASP A 74 72.990 74.010 28.160 1.00 0.00 O ATOM 1197 CB ASP A 74 72.600 71.970 25.620 1.00 0.00 C ATOM 1198 CG ASP A 74 71.320 71.580 24.920 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.390 72.390 25.120 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.300 70.510 24.300 1.00 0.00 O ATOM 0 H ASP A 74 73.495 73.754 24.047 1.00 0.00 H new ATOM 0 HA ASP A 74 71.556 73.805 26.245 1.00 0.00 H new ATOM 0 HB2 ASP A 74 73.465 71.731 25.001 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.712 71.416 26.552 1.00 0.00 H new ATOM 1205 N PHE A 75 74.770 73.940 26.750 1.00 0.00 N ATOM 1206 CA PHE A 75 75.820 73.870 27.790 1.00 0.00 C ATOM 1207 C PHE A 75 76.610 75.140 28.160 1.00 0.00 C ATOM 1208 O PHE A 75 77.390 75.630 27.390 1.00 0.00 O ATOM 1209 CB PHE A 75 76.810 72.800 27.390 1.00 0.00 C ATOM 1210 CG PHE A 75 76.300 71.430 27.690 1.00 0.00 C ATOM 1211 CD1 PHE A 75 75.550 70.730 26.730 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.550 70.840 28.920 1.00 0.00 C ATOM 1213 CE1 PHE A 75 75.100 69.440 27.000 1.00 0.00 C ATOM 1214 CE2 PHE A 75 76.100 69.560 29.190 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.340 68.870 28.260 1.00 0.00 C ATOM 0 H PHE A 75 75.132 74.079 25.807 1.00 0.00 H new ATOM 0 HA PHE A 75 75.250 73.666 28.696 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.023 72.883 26.324 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.751 72.961 27.917 1.00 0.00 H new ATOM 0 HD1 PHE A 75 75.322 71.193 25.781 1.00 0.00 H new ATOM 0 HD2 PHE A 75 77.100 71.384 29.673 1.00 0.00 H new ATOM 0 HE1 PHE A 75 74.569 68.881 26.244 1.00 0.00 H new ATOM 0 HE2 PHE A 75 76.343 69.095 30.134 1.00 0.00 H new ATOM 0 HZ PHE A 75 74.934 67.899 28.503 1.00 0.00 H new ATOM 1225 N LEU A 76 76.380 75.690 29.330 1.00 0.00 N ATOM 1226 CA LEU A 76 76.990 76.870 29.890 1.00 0.00 C ATOM 1227 C LEU A 76 78.190 76.340 30.610 1.00 0.00 C ATOM 1228 O LEU A 76 78.150 75.230 31.130 1.00 0.00 O ATOM 1229 CB LEU A 76 76.060 77.580 30.860 1.00 0.00 C ATOM 1230 CG LEU A 76 74.860 78.240 30.220 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.900 78.800 31.250 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.280 79.340 29.260 1.00 0.00 C ATOM 0 H LEU A 76 75.698 75.284 29.971 1.00 0.00 H new ATOM 0 HA LEU A 76 77.234 77.608 29.126 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.710 76.859 31.599 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.629 78.337 31.399 1.00 0.00 H new ATOM 0 HG LEU A 76 74.342 77.461 29.661 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.054 79.264 30.744 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.542 77.994 31.890 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.413 79.545 31.858 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.394 79.794 28.817 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.845 80.099 29.801 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.903 78.917 28.472 1.00 0.00 H new ATOM 1244 N TYR A 77 79.270 77.060 30.660 1.00 0.00 N ATOM 1245 CA TYR A 77 80.450 76.600 31.350 1.00 0.00 C ATOM 1246 C TYR A 77 80.650 77.550 32.520 1.00 0.00 C ATOM 1247 O TYR A 77 80.780 78.770 32.370 1.00 0.00 O ATOM 1248 CB TYR A 77 81.670 76.610 30.420 1.00 0.00 C ATOM 1249 CG TYR A 77 82.910 76.100 31.130 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.120 74.720 31.280 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.840 77.010 31.650 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.260 74.250 31.950 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.980 76.540 32.320 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.190 75.160 32.470 1.00 0.00 C ATOM 1255 OH TYR A 77 86.310 74.710 33.090 1.00 0.00 O ATOM 0 H TYR A 77 79.364 77.979 30.228 1.00 0.00 H new ATOM 0 HA TYR A 77 80.332 75.571 31.691 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.468 75.991 29.546 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.846 77.623 30.059 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.403 74.019 30.879 1.00 0.00 H new ATOM 0 HD2 TYR A 77 83.680 78.072 31.535 1.00 0.00 H new ATOM 0 HE1 TYR A 77 84.420 73.188 32.065 1.00 0.00 H new ATOM 0 HE2 TYR A 77 85.697 77.241 32.721 1.00 0.00 H new ATOM 0 HH TYR A 77 86.847 75.473 33.390 1.00 0.00 H new ATOM 1265 N GLU A 78 80.680 77.010 33.720 1.00 0.00 N ATOM 1266 CA GLU A 78 80.900 77.850 34.900 1.00 0.00 C ATOM 1267 C GLU A 78 82.150 77.450 35.640 1.00 0.00 C ATOM 1268 O GLU A 78 82.350 76.290 35.940 1.00 0.00 O ATOM 1269 CB GLU A 78 79.710 77.750 35.840 1.00 0.00 C ATOM 1270 CG GLU A 78 79.880 78.620 37.090 1.00 0.00 C ATOM 1271 CD GLU A 78 78.680 78.500 38.020 1.00 0.00 C ATOM 1272 OE1 GLU A 78 78.120 77.400 38.080 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.340 79.510 38.640 1.00 0.00 O ATOM 0 H GLU A 78 80.559 76.016 33.913 1.00 0.00 H new ATOM 0 HA GLU A 78 81.018 78.877 34.555 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.806 78.051 35.311 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.573 76.711 36.139 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.784 78.323 37.621 1.00 0.00 H new ATOM 0 HG3 GLU A 78 80.011 79.661 36.795 1.00 0.00 H new ATOM 1280 N LEU A 79 83.050 78.360 35.980 1.00 0.00 N ATOM 1281 CA LEU A 79 84.270 77.950 36.680 1.00 0.00 C ATOM 1282 C LEU A 79 84.190 78.500 38.110 1.00 0.00 C ATOM 1283 O LEU A 79 83.870 79.670 38.270 1.00 0.00 O ATOM 1284 CB LEU A 79 85.540 78.430 35.950 1.00 0.00 C ATOM 1285 CG LEU A 79 85.680 79.950 35.990 1.00 0.00 C ATOM 1286 CD1 LEU A 79 87.030 80.390 35.490 1.00 0.00 C ATOM 1287 CD2 LEU A 79 84.650 80.590 35.100 1.00 0.00 C ATOM 0 H LEU A 79 82.970 79.359 35.792 1.00 0.00 H new ATOM 0 HA LEU A 79 84.340 76.862 36.702 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.417 77.973 36.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.511 78.095 34.913 1.00 0.00 H new ATOM 0 HG LEU A 79 85.548 80.254 37.029 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.097 81.477 35.532 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.809 79.954 36.115 1.00 0.00 H new ATOM 0 HD13 LEU A 79 87.163 80.058 34.460 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.760 81.674 35.137 1.00 0.00 H new ATOM 0 HD22 LEU A 79 84.790 80.246 34.075 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.652 80.315 35.442 1.00 0.00 H new ATOM 1299 N HIS A 80 84.450 77.610 39.080 1.00 0.00 N ATOM 1300 CA HIS A 80 84.320 77.870 40.500 1.00 0.00 C ATOM 1301 C HIS A 80 85.740 77.970 40.960 1.00 0.00 C ATOM 1302 O HIS A 80 86.490 77.010 40.850 1.00 0.00 O ATOM 1303 CB HIS A 80 83.600 76.780 41.310 1.00 0.00 C ATOM 1304 CG HIS A 80 82.260 76.370 40.760 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.680 76.710 39.580 1.00 0.00 N flip ATOM 1306 CD2 HIS A 80 81.410 75.510 41.430 1.00 0.00 C flip ATOM 1307 CE1 HIS A 80 80.480 76.060 39.530 1.00 0.00 C flip ATOM 1308 NE2 HIS A 80 80.330 75.340 40.650 1.00 0.00 N flip ATOM 0 H HIS A 80 84.766 76.662 38.878 1.00 0.00 H new ATOM 0 HA HIS A 80 83.705 78.756 40.657 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.242 75.900 41.360 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.465 77.135 42.332 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.582 75.060 42.397 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.768 76.117 38.720 1.00 0.00 H new ATOM 0 HE2 HIS A 80 79.524 74.756 40.874 1.00 0.00 H new ATOM 1316 N ILE A 81 86.110 79.120 41.480 1.00 0.00 N ATOM 1317 CA ILE A 81 87.450 79.510 41.840 1.00 0.00 C ATOM 1318 C ILE A 81 88.310 79.450 40.610 1.00 0.00 C ATOM 1319 O ILE A 81 88.910 80.440 40.350 1.00 0.00 O ATOM 1320 CB ILE A 81 88.020 78.600 42.940 1.00 0.00 C ATOM 1321 CG1 ILE A 81 87.240 78.780 44.240 1.00 0.00 C ATOM 1322 CG2 ILE A 81 89.470 78.890 43.230 1.00 0.00 C ATOM 1323 CD1 ILE A 81 87.580 77.700 45.250 1.00 0.00 C ATOM 0 H ILE A 81 85.432 79.857 41.675 1.00 0.00 H new ATOM 0 HA ILE A 81 87.435 80.525 42.237 1.00 0.00 H new ATOM 0 HB ILE A 81 87.929 77.579 42.569 1.00 0.00 H new ATOM 0 HG12 ILE A 81 87.461 79.759 44.665 1.00 0.00 H new ATOM 0 HG13 ILE A 81 86.171 78.758 44.029 1.00 0.00 H new ATOM 0 HG21 ILE A 81 89.825 78.221 44.014 1.00 0.00 H new ATOM 0 HG22 ILE A 81 90.060 78.736 42.326 1.00 0.00 H new ATOM 0 HG23 ILE A 81 89.575 79.923 43.560 1.00 0.00 H new ATOM 0 HD11 ILE A 81 87.006 77.861 46.162 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.334 76.723 44.834 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.645 77.739 45.480 1.00 0.00 H new ATOM 1335 N ILE A 82 88.330 78.450 39.730 1.00 0.00 N ATOM 1336 CA ILE A 82 89.310 78.240 38.650 1.00 0.00 C ATOM 1337 C ILE A 82 90.780 78.230 39.140 1.00 0.00 C ATOM 1338 O ILE A 82 91.720 77.920 38.470 1.00 0.00 O ATOM 1339 CB ILE A 82 89.040 79.290 37.570 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.610 78.880 36.200 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.650 80.650 37.940 1.00 0.00 C ATOM 1342 CD1 ILE A 82 91.080 78.660 36.180 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.240 78.410 40.250 1.00 0.00 O ATOM 0 H ILE A 82 87.622 77.716 39.748 1.00 0.00 H new ATOM 0 HA ILE A 82 89.180 77.241 38.233 1.00 0.00 H new ATOM 0 HB ILE A 82 87.955 79.367 37.505 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.115 77.965 35.875 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.362 79.653 35.472 1.00 0.00 H new ATOM 0 HG21 ILE A 82 89.438 81.371 37.150 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.217 81.000 38.877 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.729 80.545 38.056 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.392 78.375 35.175 1.00 0.00 H new ATOM 0 HD12 ILE A 82 91.589 79.579 36.471 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.338 77.865 36.879 1.00 0.00 H new TER 1355 ILE A 82