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 69 SER OG : rot 150:sc= -0.294 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 HIS : no HD1:sc= -2.57! C(o=-2.7!,f=-5.6!) USER MOD Set 2.2: A 47 MET CE :methyl 169:sc= -0.131 (180deg=-0.37) USER MOD Set 3.1: A 34 SER OG : rot 170:sc= 0.163 USER MOD Set 3.2: A 77 TYR OH : rot 180:sc= 0.159 USER MOD Single : A 1 SER N :NH3+ -138:sc= 0.0317 (180deg=0) USER MOD Single : A 1 SER OG : rot 54:sc= 0.317 USER MOD Single : A 2 HIS :FLIP no HE2:sc= -0.0161 F(o=-0.96,f=-0.016) USER MOD Single : A 3 MET CE :methyl 136:sc= -0.122 (180deg=-0.645) 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 :FLIP amide:sc= -0.234 F(o=-1.5,f=-0.23) 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 180:sc= 0.0859 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.811) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00395 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 29 SER OG : rot -26:sc= 0.393 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 -76:sc= 0.321 USER MOD Single : A 42 ASN : amide:sc=-0.00798 K(o=-0.008,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= -0.374 (180deg=-0.397) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= -3.55! (180deg=-3.95!) USER MOD Single : A 59 HIS : no HD1:sc= -0.807 X(o=-0.81,f=-0.46) USER MOD Single : A 60 THR OG1 : rot 20:sc= 0.731 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -6.93! C(o=-10!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 77.070 62.190 44.040 1.00 0.00 N ATOM 2 CA SER A 1 76.650 62.100 42.620 1.00 0.00 C ATOM 3 C SER A 1 76.910 63.410 41.890 1.00 0.00 C ATOM 4 O SER A 1 75.950 64.100 41.520 1.00 0.00 O ATOM 5 CB SER A 1 75.220 61.600 42.510 1.00 0.00 C ATOM 6 OG SER A 1 74.430 62.500 43.240 1.00 0.00 O ATOM 0 H1 SER A 1 77.555 61.312 44.315 1.00 0.00 H new ATOM 0 H2 SER A 1 77.717 62.995 44.160 1.00 0.00 H new ATOM 0 H3 SER A 1 76.233 62.326 44.642 1.00 0.00 H new ATOM 0 HA SER A 1 77.263 61.356 42.111 1.00 0.00 H new ATOM 0 HB2 SER A 1 74.901 61.560 41.468 1.00 0.00 H new ATOM 0 HB3 SER A 1 75.129 60.590 42.910 1.00 0.00 H new ATOM 0 HG SER A 1 74.592 63.412 42.919 1.00 0.00 H new ATOM 14 N HIS A 2 78.160 63.700 41.570 1.00 0.00 N ATOM 15 CA HIS A 2 78.460 64.720 40.550 1.00 0.00 C ATOM 16 C HIS A 2 79.500 64.310 39.510 1.00 0.00 C ATOM 17 O HIS A 2 80.350 63.430 39.750 1.00 0.00 O ATOM 18 CB HIS A 2 78.880 66.010 41.240 1.00 0.00 C ATOM 19 CG HIS A 2 77.810 66.650 42.040 1.00 0.00 C ATOM 20 ND1 HIS A 2 77.760 66.770 43.400 1.00 0.00 N flip ATOM 21 CD2 HIS A 2 76.660 67.140 41.480 1.00 0.00 C flip ATOM 22 CE1 HIS A 2 76.550 67.350 43.660 1.00 0.00 C flip ATOM 23 NE2 HIS A 2 75.920 67.580 42.510 1.00 0.00 N flip ATOM 0 H HIS A 2 78.979 63.258 41.987 1.00 0.00 H new ATOM 0 HA HIS A 2 77.540 64.858 39.983 1.00 0.00 H new ATOM 0 HB2 HIS A 2 79.728 65.800 41.891 1.00 0.00 H new ATOM 0 HB3 HIS A 2 79.225 66.716 40.485 1.00 0.00 H new ATOM 0 HD1 HIS A 2 78.471 66.488 44.075 1.00 0.00 H new ATOM 0 HD2 HIS A 2 76.403 67.167 40.431 1.00 0.00 H new ATOM 0 HE1 HIS A 2 76.166 67.584 44.642 1.00 0.00 H new ATOM 31 N MET A 3 79.410 64.940 38.340 1.00 0.00 N ATOM 32 CA MET A 3 80.410 64.870 37.260 1.00 0.00 C ATOM 33 C MET A 3 81.030 66.190 36.800 1.00 0.00 C ATOM 34 O MET A 3 81.510 66.280 35.660 1.00 0.00 O ATOM 35 CB MET A 3 79.820 64.170 36.060 1.00 0.00 C ATOM 36 CG MET A 3 79.640 62.720 36.340 1.00 0.00 C ATOM 37 SD MET A 3 78.830 62.060 34.900 1.00 0.00 S ATOM 38 CE MET A 3 80.250 61.970 33.790 1.00 0.00 C ATOM 0 H MET A 3 78.615 65.534 38.104 1.00 0.00 H new ATOM 0 HA MET A 3 81.234 64.316 37.710 1.00 0.00 H new ATOM 0 HB2 MET A 3 78.860 64.619 35.805 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.473 64.302 35.197 1.00 0.00 H new ATOM 0 HG2 MET A 3 80.599 62.231 36.511 1.00 0.00 H new ATOM 0 HG3 MET A 3 79.039 62.564 37.236 1.00 0.00 H new ATOM 0 HE1 MET A 3 80.238 61.017 33.261 1.00 0.00 H new ATOM 0 HE2 MET A 3 80.201 62.786 33.069 1.00 0.00 H new ATOM 0 HE3 MET A 3 81.170 62.052 34.369 1.00 0.00 H new ATOM 48 N LYS A 4 81.010 67.220 37.620 1.00 0.00 N ATOM 49 CA LYS A 4 81.230 68.600 37.170 1.00 0.00 C ATOM 50 C LYS A 4 80.220 69.070 36.120 1.00 0.00 C ATOM 51 O LYS A 4 80.570 69.800 35.170 1.00 0.00 O ATOM 52 CB LYS A 4 82.670 68.880 36.780 1.00 0.00 C ATOM 53 CG LYS A 4 83.590 68.630 37.960 1.00 0.00 C ATOM 54 CD LYS A 4 85.010 68.870 37.460 1.00 0.00 C ATOM 55 CE LYS A 4 85.960 68.600 38.590 1.00 0.00 C ATOM 56 NZ LYS A 4 87.370 68.860 38.230 1.00 0.00 N ATOM 0 H LYS A 4 80.841 67.135 38.622 1.00 0.00 H new ATOM 0 HA LYS A 4 81.038 69.218 38.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 82.958 68.243 35.943 1.00 0.00 H new ATOM 0 HB3 LYS A 4 82.769 69.912 36.444 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.351 69.299 38.787 1.00 0.00 H new ATOM 0 HG3 LYS A 4 83.476 67.612 38.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 85.230 68.218 36.615 1.00 0.00 H new ATOM 0 HD3 LYS A 4 85.120 69.896 37.108 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.688 69.221 39.443 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.856 67.562 38.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.980 68.657 39.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 87.643 68.249 37.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 87.480 69.857 37.955 1.00 0.00 H new ATOM 70 N LEU A 5 78.970 68.650 36.230 1.00 0.00 N ATOM 71 CA LEU A 5 77.870 69.330 35.570 1.00 0.00 C ATOM 72 C LEU A 5 76.620 69.560 36.410 1.00 0.00 C ATOM 73 O LEU A 5 76.330 68.800 37.340 1.00 0.00 O ATOM 74 CB LEU A 5 77.570 68.640 34.240 1.00 0.00 C ATOM 75 CG LEU A 5 77.160 67.180 34.450 1.00 0.00 C ATOM 76 CD1 LEU A 5 75.800 66.960 35.120 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.010 66.570 33.090 1.00 0.00 C ATOM 0 H LEU A 5 78.692 67.834 36.775 1.00 0.00 H new ATOM 0 HA LEU A 5 78.213 70.349 35.390 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.772 69.173 33.723 1.00 0.00 H new ATOM 0 HB3 LEU A 5 78.450 68.684 33.599 1.00 0.00 H new ATOM 0 HG LEU A 5 77.926 66.751 35.096 1.00 0.00 H new ATOM 0 HD11 LEU A 5 75.612 65.891 35.219 1.00 0.00 H new ATOM 0 HD12 LEU A 5 75.802 67.421 36.108 1.00 0.00 H new ATOM 0 HD13 LEU A 5 75.017 67.412 34.511 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.717 65.525 33.190 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.245 67.109 32.532 1.00 0.00 H new ATOM 0 HD23 LEU A 5 77.959 66.631 32.557 1.00 0.00 H new ATOM 89 N VAL A 6 75.820 70.500 35.930 1.00 0.00 N ATOM 90 CA VAL A 6 74.500 70.810 36.440 1.00 0.00 C ATOM 91 C VAL A 6 73.470 70.740 35.330 1.00 0.00 C ATOM 92 O VAL A 6 73.540 71.440 34.330 1.00 0.00 O ATOM 93 CB VAL A 6 74.480 72.170 37.100 1.00 0.00 C ATOM 94 CG1 VAL A 6 73.060 72.530 37.570 1.00 0.00 C ATOM 95 CG2 VAL A 6 75.440 72.110 38.280 1.00 0.00 C ATOM 0 H VAL A 6 76.087 71.090 35.142 1.00 0.00 H new ATOM 0 HA VAL A 6 74.246 70.065 37.194 1.00 0.00 H new ATOM 0 HB VAL A 6 74.786 72.942 36.394 1.00 0.00 H new ATOM 0 HG11 VAL A 6 73.071 73.513 38.042 1.00 0.00 H new ATOM 0 HG12 VAL A 6 72.386 72.546 36.713 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.715 71.787 38.289 1.00 0.00 H new ATOM 0 HG21 VAL A 6 75.456 73.075 38.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 75.111 71.340 38.978 1.00 0.00 H new ATOM 0 HG23 VAL A 6 76.442 71.872 37.922 1.00 0.00 H new ATOM 105 N LEU A 7 72.490 69.880 35.510 1.00 0.00 N ATOM 106 CA LEU A 7 71.400 69.680 34.580 1.00 0.00 C ATOM 107 C LEU A 7 70.230 70.560 35.010 1.00 0.00 C ATOM 108 O LEU A 7 69.940 70.770 36.170 1.00 0.00 O ATOM 109 CB LEU A 7 71.030 68.190 34.540 1.00 0.00 C ATOM 110 CG LEU A 7 72.240 67.320 34.140 1.00 0.00 C ATOM 111 CD1 LEU A 7 71.860 65.870 34.220 1.00 0.00 C ATOM 112 CD2 LEU A 7 72.620 67.590 32.690 1.00 0.00 C ATOM 0 H LEU A 7 72.429 69.282 36.334 1.00 0.00 H new ATOM 0 HA LEU A 7 71.686 69.967 33.568 1.00 0.00 H new ATOM 0 HB2 LEU A 7 70.663 67.878 35.518 1.00 0.00 H new ATOM 0 HB3 LEU A 7 70.217 68.034 33.830 1.00 0.00 H new ATOM 0 HG LEU A 7 73.066 67.556 34.811 1.00 0.00 H new ATOM 0 HD11 LEU A 7 72.714 65.254 33.938 1.00 0.00 H new ATOM 0 HD12 LEU A 7 71.559 65.628 35.240 1.00 0.00 H new ATOM 0 HD13 LEU A 7 71.030 65.673 33.541 1.00 0.00 H new ATOM 0 HD21 LEU A 7 73.475 66.972 32.417 1.00 0.00 H new ATOM 0 HD22 LEU A 7 71.777 67.350 32.042 1.00 0.00 H new ATOM 0 HD23 LEU A 7 72.881 68.642 32.572 1.00 0.00 H new ATOM 124 N ALA A 8 69.520 71.030 34.000 1.00 0.00 N ATOM 125 CA ALA A 8 68.190 71.590 34.110 1.00 0.00 C ATOM 126 C ALA A 8 67.140 70.530 34.400 1.00 0.00 C ATOM 127 O ALA A 8 67.160 69.380 33.950 1.00 0.00 O ATOM 128 CB ALA A 8 67.850 72.240 32.780 1.00 0.00 C ATOM 0 H ALA A 8 69.871 71.031 33.042 1.00 0.00 H new ATOM 0 HA ALA A 8 68.185 72.302 34.935 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.851 72.672 32.831 1.00 0.00 H new ATOM 0 HB2 ALA A 8 68.574 73.025 32.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.881 71.490 31.990 1.00 0.00 H new ATOM 134 N LYS A 9 66.110 71.030 35.070 1.00 0.00 N ATOM 135 CA LYS A 9 64.890 70.310 35.380 1.00 0.00 C ATOM 136 C LYS A 9 63.840 70.380 34.250 1.00 0.00 C ATOM 137 O LYS A 9 63.090 69.400 34.130 1.00 0.00 O ATOM 138 CB LYS A 9 64.400 70.880 36.710 1.00 0.00 C ATOM 139 CG LYS A 9 63.020 70.300 37.110 1.00 0.00 C ATOM 140 CD LYS A 9 62.450 71.070 38.310 1.00 0.00 C ATOM 141 CE LYS A 9 61.130 70.440 38.740 1.00 0.00 C ATOM 142 NZ LYS A 9 60.650 71.090 39.980 1.00 0.00 N ATOM 0 H LYS A 9 66.105 71.986 35.425 1.00 0.00 H new ATOM 0 HA LYS A 9 65.077 69.240 35.468 1.00 0.00 H new ATOM 0 HB2 LYS A 9 65.128 70.659 37.491 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.331 71.965 36.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 62.332 70.364 36.267 1.00 0.00 H new ATOM 0 HG3 LYS A 9 63.120 69.244 37.360 1.00 0.00 H new ATOM 0 HD2 LYS A 9 63.160 71.052 39.137 1.00 0.00 H new ATOM 0 HD3 LYS A 9 62.296 72.116 38.044 1.00 0.00 H new ATOM 0 HE2 LYS A 9 60.388 70.550 37.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 61.263 69.371 38.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.750 70.659 40.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 61.355 70.963 40.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 60.508 72.106 39.807 1.00 0.00 H new ATOM 156 N ASN A 10 63.730 71.420 33.440 1.00 0.00 N ATOM 157 CA ASN A 10 62.560 71.580 32.560 1.00 0.00 C ATOM 158 C ASN A 10 62.470 70.440 31.540 1.00 0.00 C ATOM 159 O ASN A 10 61.430 69.830 31.390 1.00 0.00 O ATOM 160 CB ASN A 10 62.570 72.950 31.850 1.00 0.00 C ATOM 161 CG ASN A 10 62.300 74.150 32.730 1.00 0.00 C ATOM 162 OD1 ASN A 10 62.450 75.360 32.350 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 61.970 74.140 33.870 1.00 0.00 N flip ATOM 0 H ASN A 10 64.423 72.165 33.366 1.00 0.00 H new ATOM 0 HA ASN A 10 61.673 71.538 33.192 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.541 73.084 31.374 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.825 72.931 31.055 1.00 0.00 H new ATOM 0 HD21 ASN A 10 61.803 73.253 34.345 1.00 0.00 H new ATOM 0 HD22 ASN A 10 61.853 75.019 34.375 1.00 0.00 H new ATOM 170 N THR A 11 63.570 70.080 30.890 1.00 0.00 N ATOM 171 CA THR A 11 63.510 68.900 30.030 1.00 0.00 C ATOM 172 C THR A 11 63.330 67.600 30.800 1.00 0.00 C ATOM 173 O THR A 11 62.550 66.740 30.360 1.00 0.00 O ATOM 174 CB THR A 11 64.750 68.830 29.200 1.00 0.00 C ATOM 175 OG1 THR A 11 64.570 69.990 28.400 1.00 0.00 O ATOM 176 CG2 THR A 11 64.780 67.510 28.420 1.00 0.00 C ATOM 0 H THR A 11 64.471 70.557 30.934 1.00 0.00 H new ATOM 0 HA THR A 11 62.628 69.010 29.399 1.00 0.00 H new ATOM 0 HB THR A 11 65.705 68.827 29.726 1.00 0.00 H new ATOM 0 HG1 THR A 11 65.328 70.084 27.786 1.00 0.00 H new ATOM 0 HG21 THR A 11 65.687 67.465 27.816 1.00 0.00 H new ATOM 0 HG22 THR A 11 64.767 66.674 29.119 1.00 0.00 H new ATOM 0 HG23 THR A 11 63.908 67.452 27.769 1.00 0.00 H new ATOM 184 N ARG A 12 64.050 67.410 31.890 1.00 0.00 N ATOM 185 CA ARG A 12 64.330 66.060 32.380 1.00 0.00 C ATOM 186 C ARG A 12 63.550 65.690 33.610 1.00 0.00 C ATOM 187 O ARG A 12 63.250 64.510 33.820 1.00 0.00 O ATOM 188 CB ARG A 12 65.810 65.940 32.680 1.00 0.00 C ATOM 189 CG ARG A 12 66.580 65.990 31.370 1.00 0.00 C ATOM 190 CD ARG A 12 68.050 65.880 31.670 1.00 0.00 C ATOM 191 NE ARG A 12 68.860 65.990 30.440 1.00 0.00 N ATOM 192 CZ ARG A 12 69.060 65.010 29.560 1.00 0.00 C ATOM 193 NH1 ARG A 12 68.560 63.830 29.770 1.00 0.00 N ATOM 194 NH2 ARG A 12 69.740 65.220 28.470 1.00 0.00 N ATOM 0 H ARG A 12 64.451 68.160 32.453 1.00 0.00 H new ATOM 0 HA ARG A 12 64.022 65.371 31.593 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.129 66.749 33.337 1.00 0.00 H new ATOM 0 HB3 ARG A 12 66.015 65.006 33.203 1.00 0.00 H new ATOM 0 HG2 ARG A 12 66.266 65.177 30.716 1.00 0.00 H new ATOM 0 HG3 ARG A 12 66.370 66.921 30.844 1.00 0.00 H new ATOM 0 HD2 ARG A 12 68.340 66.664 32.370 1.00 0.00 H new ATOM 0 HD3 ARG A 12 68.253 64.926 32.157 1.00 0.00 H new ATOM 0 HE ARG A 12 69.302 66.889 30.249 1.00 0.00 H new ATOM 0 HH11 ARG A 12 68.012 63.651 30.611 1.00 0.00 H new ATOM 0 HH12 ARG A 12 68.715 63.082 29.094 1.00 0.00 H new ATOM 0 HH21 ARG A 12 70.128 66.144 28.281 1.00 0.00 H new ATOM 0 HH22 ARG A 12 69.885 64.460 27.805 1.00 0.00 H new ATOM 208 N LYS A 13 63.150 66.670 34.370 1.00 0.00 N ATOM 209 CA LYS A 13 62.190 66.530 35.450 1.00 0.00 C ATOM 210 C LYS A 13 62.600 65.530 36.530 1.00 0.00 C ATOM 211 O LYS A 13 61.710 64.830 37.040 1.00 0.00 O ATOM 212 CB LYS A 13 60.840 66.200 34.800 1.00 0.00 C ATOM 213 CG LYS A 13 60.240 67.350 34.030 1.00 0.00 C ATOM 214 CD LYS A 13 58.880 66.910 33.490 1.00 0.00 C ATOM 215 CE LYS A 13 58.220 68.080 32.740 1.00 0.00 C ATOM 216 NZ LYS A 13 56.880 67.750 32.210 1.00 0.00 N ATOM 0 H LYS A 13 63.490 67.625 34.258 1.00 0.00 H new ATOM 0 HA LYS A 13 62.130 67.465 36.007 1.00 0.00 H new ATOM 0 HB2 LYS A 13 60.968 65.352 34.128 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.140 65.889 35.575 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.128 68.221 34.675 1.00 0.00 H new ATOM 0 HG3 LYS A 13 60.897 67.642 33.211 1.00 0.00 H new ATOM 0 HD2 LYS A 13 59.001 66.058 32.821 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.240 66.583 34.310 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.137 68.934 33.412 1.00 0.00 H new ATOM 0 HE3 LYS A 13 58.865 68.385 31.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.489 68.577 31.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.956 66.954 31.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.251 67.486 32.995 1.00 0.00 H new ATOM 230 N SER A 14 63.830 65.460 36.970 1.00 0.00 N ATOM 231 CA SER A 14 64.190 64.460 38.000 1.00 0.00 C ATOM 232 C SER A 14 64.350 65.100 39.400 1.00 0.00 C ATOM 233 O SER A 14 63.440 64.930 40.210 1.00 0.00 O ATOM 234 CB SER A 14 65.360 63.650 37.510 1.00 0.00 C ATOM 235 OG SER A 14 66.410 64.570 37.450 1.00 0.00 O ATOM 0 H SER A 14 64.596 66.056 36.656 1.00 0.00 H new ATOM 0 HA SER A 14 63.373 63.754 38.150 1.00 0.00 H new ATOM 0 HB2 SER A 14 65.588 62.828 38.189 1.00 0.00 H new ATOM 0 HB3 SER A 14 65.159 63.210 36.533 1.00 0.00 H new ATOM 0 HG SER A 14 67.222 64.119 37.137 1.00 0.00 H new ATOM 241 N ASP A 15 65.320 65.970 39.620 1.00 0.00 N ATOM 242 CA ASP A 15 65.450 66.850 40.800 1.00 0.00 C ATOM 243 C ASP A 15 66.560 67.920 40.600 1.00 0.00 C ATOM 244 O ASP A 15 67.220 68.370 41.520 1.00 0.00 O ATOM 245 CB ASP A 15 65.750 66.090 42.060 1.00 0.00 C ATOM 246 CG ASP A 15 67.120 65.410 42.090 1.00 0.00 C ATOM 247 OD1 ASP A 15 67.760 65.370 40.890 1.00 0.00 O ATOM 248 OD2 ASP A 15 67.530 64.980 43.060 1.00 0.00 O ATOM 0 H ASP A 15 66.083 66.099 38.956 1.00 0.00 H new ATOM 0 HA ASP A 15 64.480 67.336 40.904 1.00 0.00 H new ATOM 0 HB2 ASP A 15 65.682 66.775 42.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 64.980 65.331 42.201 1.00 0.00 H new ATOM 253 N ALA A 16 66.810 68.290 39.350 1.00 0.00 N ATOM 254 CA ALA A 16 68.120 68.840 38.990 1.00 0.00 C ATOM 255 C ALA A 16 68.340 70.260 39.550 1.00 0.00 C ATOM 256 O ALA A 16 69.450 70.760 39.690 1.00 0.00 O ATOM 257 CB ALA A 16 68.160 68.880 37.460 1.00 0.00 C ATOM 0 H ALA A 16 66.143 68.224 38.581 1.00 0.00 H new ATOM 0 HA ALA A 16 68.908 68.218 39.415 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.118 69.283 37.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 68.037 67.871 37.066 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.354 69.514 37.091 1.00 0.00 H new ATOM 263 N LYS A 17 67.250 71.000 39.750 1.00 0.00 N ATOM 264 CA LYS A 17 67.250 72.460 39.630 1.00 0.00 C ATOM 265 C LYS A 17 68.170 73.170 40.630 1.00 0.00 C ATOM 266 O LYS A 17 68.830 74.160 40.250 1.00 0.00 O ATOM 267 CB LYS A 17 65.820 72.990 39.760 1.00 0.00 C ATOM 268 CG LYS A 17 65.740 74.510 39.620 1.00 0.00 C ATOM 269 CD LYS A 17 66.180 74.940 38.220 1.00 0.00 C ATOM 270 CE LYS A 17 66.110 76.440 38.050 1.00 0.00 C ATOM 271 NZ LYS A 17 66.580 76.710 36.670 1.00 0.00 N ATOM 0 H LYS A 17 66.343 70.606 39.999 1.00 0.00 H new ATOM 0 HA LYS A 17 67.653 72.686 38.643 1.00 0.00 H new ATOM 0 HB2 LYS A 17 65.194 72.525 38.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 65.415 72.696 40.728 1.00 0.00 H new ATOM 0 HG2 LYS A 17 64.720 74.846 39.807 1.00 0.00 H new ATOM 0 HG3 LYS A 17 66.374 74.985 40.369 1.00 0.00 H new ATOM 0 HD2 LYS A 17 67.200 74.600 38.038 1.00 0.00 H new ATOM 0 HD3 LYS A 17 65.546 74.459 37.475 1.00 0.00 H new ATOM 0 HE2 LYS A 17 65.093 76.803 38.195 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.737 76.947 38.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 66.798 77.722 36.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 67.436 76.151 36.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 65.836 76.447 35.992 1.00 0.00 H new ATOM 285 N SER A 18 68.110 72.780 41.880 1.00 0.00 N ATOM 286 CA SER A 18 68.820 73.400 43.010 1.00 0.00 C ATOM 287 C SER A 18 70.340 73.260 42.990 1.00 0.00 C ATOM 288 O SER A 18 71.020 74.010 43.670 1.00 0.00 O ATOM 289 CB SER A 18 68.270 72.790 44.310 1.00 0.00 C ATOM 290 OG SER A 18 68.340 71.380 44.310 1.00 0.00 O ATOM 0 H SER A 18 67.541 71.984 42.168 1.00 0.00 H new ATOM 0 HA SER A 18 68.637 74.472 42.934 1.00 0.00 H new ATOM 0 HB2 SER A 18 68.833 73.180 45.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.234 73.100 44.445 1.00 0.00 H new ATOM 0 HG SER A 18 67.982 71.035 45.154 1.00 0.00 H new ATOM 296 N VAL A 19 70.850 72.310 42.170 1.00 0.00 N ATOM 297 CA VAL A 19 72.150 71.660 42.330 1.00 0.00 C ATOM 298 C VAL A 19 73.270 72.640 42.250 1.00 0.00 C ATOM 299 O VAL A 19 74.190 72.580 43.040 1.00 0.00 O ATOM 300 CB VAL A 19 72.340 70.630 41.220 1.00 0.00 C ATOM 301 CG1 VAL A 19 73.750 70.040 41.190 1.00 0.00 C ATOM 302 CG2 VAL A 19 71.330 69.520 41.430 1.00 0.00 C ATOM 0 H VAL A 19 70.341 71.971 41.354 1.00 0.00 H new ATOM 0 HA VAL A 19 72.164 71.189 43.313 1.00 0.00 H new ATOM 0 HB VAL A 19 72.192 71.131 40.264 1.00 0.00 H new ATOM 0 HG11 VAL A 19 73.824 69.314 40.380 1.00 0.00 H new ATOM 0 HG12 VAL A 19 74.475 70.838 41.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 73.958 69.546 42.139 1.00 0.00 H new ATOM 0 HG21 VAL A 19 71.446 68.770 40.648 1.00 0.00 H new ATOM 0 HG22 VAL A 19 71.495 69.058 42.403 1.00 0.00 H new ATOM 0 HG23 VAL A 19 70.322 69.933 41.390 1.00 0.00 H new ATOM 312 N GLU A 20 73.130 73.590 41.360 1.00 0.00 N ATOM 313 CA GLU A 20 74.210 74.520 41.210 1.00 0.00 C ATOM 314 C GLU A 20 74.420 75.330 42.460 1.00 0.00 C ATOM 315 O GLU A 20 75.560 75.510 42.880 1.00 0.00 O ATOM 316 CB GLU A 20 73.790 75.430 40.120 1.00 0.00 C ATOM 317 CG GLU A 20 74.870 76.380 39.800 1.00 0.00 C ATOM 318 CD GLU A 20 76.180 75.810 39.240 1.00 0.00 C ATOM 319 OE1 GLU A 20 76.120 74.730 38.680 1.00 0.00 O ATOM 320 OE2 GLU A 20 77.220 76.490 39.290 1.00 0.00 O ATOM 0 H GLU A 20 72.320 73.734 40.757 1.00 0.00 H new ATOM 0 HA GLU A 20 75.143 73.996 41.003 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.532 74.851 39.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.894 75.975 40.417 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.481 77.098 39.078 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.107 76.936 40.707 1.00 0.00 H new ATOM 327 N LEU A 21 73.380 75.790 43.130 1.00 0.00 N ATOM 328 CA LEU A 21 73.590 76.650 44.290 1.00 0.00 C ATOM 329 C LEU A 21 74.400 75.950 45.380 1.00 0.00 C ATOM 330 O LEU A 21 75.290 76.550 45.990 1.00 0.00 O ATOM 331 CB LEU A 21 72.240 77.090 44.860 1.00 0.00 C ATOM 332 CG LEU A 21 71.420 77.910 43.860 1.00 0.00 C ATOM 333 CD1 LEU A 21 70.080 78.280 44.450 1.00 0.00 C ATOM 334 CD2 LEU A 21 72.100 79.220 43.500 1.00 0.00 C ATOM 0 H LEU A 21 72.405 75.593 42.904 1.00 0.00 H new ATOM 0 HA LEU A 21 74.157 77.519 43.957 1.00 0.00 H new ATOM 0 HB2 LEU A 21 71.670 76.209 45.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 72.405 77.681 45.761 1.00 0.00 H new ATOM 0 HG LEU A 21 71.315 77.283 42.975 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.512 78.862 43.725 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.529 77.373 44.699 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.231 78.872 45.353 1.00 0.00 H new ATOM 0 HD21 LEU A 21 71.482 79.767 42.788 1.00 0.00 H new ATOM 0 HD22 LEU A 21 72.234 79.820 44.400 1.00 0.00 H new ATOM 0 HD23 LEU A 21 73.072 79.014 43.053 1.00 0.00 H new ATOM 346 N GLU A 22 74.030 74.700 45.650 1.00 0.00 N ATOM 347 CA GLU A 22 74.800 73.820 46.520 1.00 0.00 C ATOM 348 C GLU A 22 76.160 73.480 45.980 1.00 0.00 C ATOM 349 O GLU A 22 77.080 73.480 46.820 1.00 0.00 O ATOM 350 CB GLU A 22 74.080 72.510 46.730 1.00 0.00 C ATOM 351 CG GLU A 22 72.810 72.750 47.510 1.00 0.00 C ATOM 352 CD GLU A 22 72.070 71.460 47.760 1.00 0.00 C ATOM 353 OE1 GLU A 22 72.560 70.340 47.400 1.00 0.00 O ATOM 354 OE2 GLU A 22 71.000 71.620 48.330 1.00 0.00 O ATOM 0 H GLU A 22 73.187 74.270 45.270 1.00 0.00 H new ATOM 0 HA GLU A 22 74.914 74.378 47.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 73.847 72.053 45.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 74.722 71.812 47.267 1.00 0.00 H new ATOM 0 HG2 GLU A 22 73.049 73.225 48.461 1.00 0.00 H new ATOM 0 HG3 GLU A 22 72.168 73.440 46.962 1.00 0.00 H new ATOM 361 N ASP A 23 76.310 73.250 44.690 1.00 0.00 N ATOM 362 CA ASP A 23 77.590 72.880 44.120 1.00 0.00 C ATOM 363 C ASP A 23 78.510 74.020 44.340 1.00 0.00 C ATOM 364 O ASP A 23 79.560 73.800 44.890 1.00 0.00 O ATOM 365 CB ASP A 23 77.550 72.550 42.650 1.00 0.00 C ATOM 366 CG ASP A 23 76.990 71.150 42.360 1.00 0.00 C ATOM 367 OD1 ASP A 23 76.670 70.430 43.410 1.00 0.00 O ATOM 368 OD2 ASP A 23 76.820 70.800 41.230 1.00 0.00 O ATOM 0 H ASP A 23 75.552 73.314 44.011 1.00 0.00 H new ATOM 0 HA ASP A 23 77.918 71.965 44.612 1.00 0.00 H new ATOM 0 HB2 ASP A 23 76.941 73.292 42.134 1.00 0.00 H new ATOM 0 HB3 ASP A 23 78.557 72.624 42.240 1.00 0.00 H new ATOM 373 N LEU A 24 78.060 75.250 44.100 1.00 0.00 N ATOM 374 CA LEU A 24 78.960 76.370 44.140 1.00 0.00 C ATOM 375 C LEU A 24 79.680 76.400 45.470 1.00 0.00 C ATOM 376 O LEU A 24 80.890 76.320 45.560 1.00 0.00 O ATOM 377 CB LEU A 24 78.160 77.660 43.990 1.00 0.00 C ATOM 378 CG LEU A 24 77.550 77.920 42.610 1.00 0.00 C ATOM 379 CD1 LEU A 24 76.560 79.070 42.710 1.00 0.00 C ATOM 380 CD2 LEU A 24 78.640 78.220 41.600 1.00 0.00 C ATOM 0 H LEU A 24 77.091 75.481 43.880 1.00 0.00 H new ATOM 0 HA LEU A 24 79.685 76.277 43.331 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.355 77.651 44.724 1.00 0.00 H new ATOM 0 HB3 LEU A 24 78.811 78.498 44.240 1.00 0.00 H new ATOM 0 HG LEU A 24 77.021 77.030 42.269 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.122 79.260 41.730 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.771 78.810 43.416 1.00 0.00 H new ATOM 0 HD13 LEU A 24 77.076 79.965 43.056 1.00 0.00 H new ATOM 0 HD21 LEU A 24 78.191 78.403 40.624 1.00 0.00 H new ATOM 0 HD22 LEU A 24 79.195 79.104 41.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 79.319 77.370 41.534 1.00 0.00 H new ATOM 392 N TYR A 25 78.870 76.460 46.530 1.00 0.00 N ATOM 393 CA TYR A 25 79.400 76.570 47.870 1.00 0.00 C ATOM 394 C TYR A 25 80.160 75.300 48.270 1.00 0.00 C ATOM 395 O TYR A 25 81.260 75.420 48.820 1.00 0.00 O ATOM 396 CB TYR A 25 78.250 76.830 48.850 1.00 0.00 C ATOM 397 CG TYR A 25 78.720 76.910 50.290 1.00 0.00 C ATOM 398 CD1 TYR A 25 79.140 78.120 50.860 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.760 75.740 51.060 1.00 0.00 C ATOM 400 CE1 TYR A 25 79.690 78.180 52.150 1.00 0.00 C ATOM 401 CE2 TYR A 25 79.200 75.830 52.380 1.00 0.00 C ATOM 402 CZ TYR A 25 79.700 76.980 52.910 1.00 0.00 C ATOM 403 OH TYR A 25 80.170 76.810 54.160 1.00 0.00 O ATOM 0 H TYR A 25 77.852 76.434 46.476 1.00 0.00 H new ATOM 0 HA TYR A 25 80.103 77.402 47.901 1.00 0.00 H new ATOM 0 HB2 TYR A 25 77.752 77.762 48.582 1.00 0.00 H new ATOM 0 HB3 TYR A 25 77.510 76.035 48.756 1.00 0.00 H new ATOM 0 HD1 TYR A 25 79.037 79.032 50.290 1.00 0.00 H new ATOM 0 HD2 TYR A 25 78.457 74.792 50.641 1.00 0.00 H new ATOM 0 HE1 TYR A 25 80.089 79.101 52.548 1.00 0.00 H new ATOM 0 HE2 TYR A 25 79.142 74.953 53.007 1.00 0.00 H new ATOM 0 HH TYR A 25 80.046 75.877 54.432 1.00 0.00 H new ATOM 413 N HIS A 26 79.540 74.130 48.080 1.00 0.00 N ATOM 414 CA HIS A 26 80.070 72.840 48.560 1.00 0.00 C ATOM 415 C HIS A 26 81.350 72.510 47.850 1.00 0.00 C ATOM 416 O HIS A 26 82.350 72.070 48.450 1.00 0.00 O ATOM 417 CB HIS A 26 79.080 71.690 48.330 1.00 0.00 C ATOM 418 CG HIS A 26 79.590 70.370 48.820 1.00 0.00 C ATOM 419 ND1 HIS A 26 79.660 70.020 50.170 1.00 0.00 N ATOM 420 CD2 HIS A 26 80.040 69.330 48.060 1.00 0.00 C ATOM 421 CE1 HIS A 26 80.160 68.770 50.170 1.00 0.00 C ATOM 422 NE2 HIS A 26 80.430 68.340 48.930 1.00 0.00 N ATOM 0 H HIS A 26 78.651 74.046 47.587 1.00 0.00 H new ATOM 0 HA HIS A 26 80.241 72.947 49.631 1.00 0.00 H new ATOM 0 HB2 HIS A 26 78.141 71.920 48.834 1.00 0.00 H new ATOM 0 HB3 HIS A 26 78.860 71.615 47.265 1.00 0.00 H new ATOM 0 HD2 HIS A 26 80.082 69.292 46.981 1.00 0.00 H new ATOM 0 HE1 HIS A 26 80.324 68.184 51.062 1.00 0.00 H new ATOM 0 HE2 HIS A 26 80.848 67.444 48.678 1.00 0.00 H new ATOM 430 N GLU A 27 81.350 72.690 46.570 1.00 0.00 N ATOM 431 CA GLU A 27 82.470 72.430 45.730 1.00 0.00 C ATOM 432 C GLU A 27 83.570 73.450 45.820 1.00 0.00 C ATOM 433 O GLU A 27 84.710 72.990 45.880 1.00 0.00 O ATOM 434 CB GLU A 27 82.030 72.230 44.320 1.00 0.00 C ATOM 435 CG GLU A 27 81.140 71.000 44.090 1.00 0.00 C ATOM 436 CD GLU A 27 80.710 70.880 42.660 1.00 0.00 C ATOM 437 OE1 GLU A 27 80.840 71.940 42.010 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.570 69.760 42.160 1.00 0.00 O ATOM 0 H GLU A 27 80.536 73.036 46.062 1.00 0.00 H new ATOM 0 HA GLU A 27 82.914 71.508 46.106 1.00 0.00 H new ATOM 0 HB2 GLU A 27 81.489 73.118 43.994 1.00 0.00 H new ATOM 0 HB3 GLU A 27 82.914 72.145 43.687 1.00 0.00 H new ATOM 0 HG2 GLU A 27 81.681 70.100 44.383 1.00 0.00 H new ATOM 0 HG3 GLU A 27 80.260 71.064 44.729 1.00 0.00 H new ATOM 445 N PHE A 28 83.260 74.730 45.960 1.00 0.00 N ATOM 446 CA PHE A 28 84.260 75.760 46.200 1.00 0.00 C ATOM 447 C PHE A 28 85.050 75.390 47.460 1.00 0.00 C ATOM 448 O PHE A 28 86.270 75.500 47.520 1.00 0.00 O ATOM 449 CB PHE A 28 83.560 77.130 46.360 1.00 0.00 C ATOM 450 CG PHE A 28 84.410 78.260 46.910 1.00 0.00 C ATOM 451 CD1 PHE A 28 84.690 78.330 48.290 1.00 0.00 C ATOM 452 CD2 PHE A 28 85.020 79.170 46.020 1.00 0.00 C ATOM 453 CE1 PHE A 28 85.580 79.290 48.800 1.00 0.00 C ATOM 454 CE2 PHE A 28 85.950 80.090 46.550 1.00 0.00 C ATOM 455 CZ PHE A 28 86.210 80.180 47.920 1.00 0.00 C ATOM 0 H PHE A 28 82.305 75.085 45.910 1.00 0.00 H new ATOM 0 HA PHE A 28 84.950 75.830 45.359 1.00 0.00 H new ATOM 0 HB2 PHE A 28 83.176 77.434 45.386 1.00 0.00 H new ATOM 0 HB3 PHE A 28 82.699 77.000 47.015 1.00 0.00 H new ATOM 0 HD1 PHE A 28 84.213 77.635 48.965 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.783 79.163 44.966 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.777 79.342 49.861 1.00 0.00 H new ATOM 0 HE2 PHE A 28 86.478 80.746 45.874 1.00 0.00 H new ATOM 0 HZ PHE A 28 86.891 80.929 48.297 1.00 0.00 H new ATOM 465 N SER A 29 84.370 74.980 48.510 1.00 0.00 N ATOM 466 CA SER A 29 85.020 74.640 49.770 1.00 0.00 C ATOM 467 C SER A 29 85.780 73.320 49.750 1.00 0.00 C ATOM 468 O SER A 29 86.870 73.290 50.330 1.00 0.00 O ATOM 469 CB SER A 29 83.970 74.670 50.870 1.00 0.00 C ATOM 470 OG SER A 29 83.080 73.630 50.620 1.00 0.00 O ATOM 0 H SER A 29 83.356 74.871 48.520 1.00 0.00 H new ATOM 0 HA SER A 29 85.794 75.385 49.957 1.00 0.00 H new ATOM 0 HB2 SER A 29 84.435 74.551 51.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 83.450 75.628 50.879 1.00 0.00 H new ATOM 0 HG SER A 29 83.075 73.427 49.661 1.00 0.00 H new ATOM 476 N GLU A 30 85.260 72.260 49.120 1.00 0.00 N ATOM 477 CA GLU A 30 85.940 70.950 49.010 1.00 0.00 C ATOM 478 C GLU A 30 87.130 70.970 48.060 1.00 0.00 C ATOM 479 O GLU A 30 88.170 70.320 48.320 1.00 0.00 O ATOM 480 CB GLU A 30 84.930 69.890 48.510 1.00 0.00 C ATOM 481 CG GLU A 30 85.500 68.460 48.460 1.00 0.00 C ATOM 482 CD GLU A 30 84.510 67.330 48.100 1.00 0.00 C ATOM 483 OE1 GLU A 30 83.260 67.450 48.150 1.00 0.00 O ATOM 484 OE2 GLU A 30 85.010 66.210 47.900 1.00 0.00 O ATOM 0 H GLU A 30 84.347 72.281 48.666 1.00 0.00 H new ATOM 0 HA GLU A 30 86.317 70.707 50.004 1.00 0.00 H new ATOM 0 HB2 GLU A 30 84.056 69.900 49.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 84.588 70.170 47.513 1.00 0.00 H new ATOM 0 HG2 GLU A 30 86.314 68.443 47.735 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.936 68.233 49.433 1.00 0.00 H new ATOM 491 N ASP A 31 87.000 71.640 46.950 1.00 0.00 N ATOM 492 CA ASP A 31 87.900 71.490 45.820 1.00 0.00 C ATOM 493 C ASP A 31 88.000 72.790 44.990 1.00 0.00 C ATOM 494 O ASP A 31 87.140 73.670 45.130 1.00 0.00 O ATOM 495 CB ASP A 31 87.360 70.330 44.990 1.00 0.00 C ATOM 496 CG ASP A 31 88.370 69.860 43.970 1.00 0.00 C ATOM 497 OD1 ASP A 31 89.530 70.290 43.910 1.00 0.00 O ATOM 498 OD2 ASP A 31 87.930 68.920 43.260 1.00 0.00 O ATOM 0 H ASP A 31 86.256 72.320 46.793 1.00 0.00 H new ATOM 0 HA ASP A 31 88.915 71.285 46.159 1.00 0.00 H new ATOM 0 HB2 ASP A 31 87.095 69.503 45.649 1.00 0.00 H new ATOM 0 HB3 ASP A 31 86.446 70.639 44.483 1.00 0.00 H new ATOM 503 N LYS A 32 88.950 72.980 44.090 1.00 0.00 N ATOM 504 CA LYS A 32 88.920 74.100 43.120 1.00 0.00 C ATOM 505 C LYS A 32 88.870 73.680 41.660 1.00 0.00 C ATOM 506 O LYS A 32 89.730 72.940 41.180 1.00 0.00 O ATOM 507 CB LYS A 32 90.090 75.030 43.380 1.00 0.00 C ATOM 508 CG LYS A 32 90.010 75.570 44.810 1.00 0.00 C ATOM 509 CD LYS A 32 91.150 76.540 45.050 1.00 0.00 C ATOM 510 CE LYS A 32 91.060 77.130 46.450 1.00 0.00 C ATOM 511 NZ LYS A 32 92.200 78.030 46.670 1.00 0.00 N ATOM 0 H LYS A 32 89.766 72.375 43.998 1.00 0.00 H new ATOM 0 HA LYS A 32 87.977 74.621 43.287 1.00 0.00 H new ATOM 0 HB2 LYS A 32 91.030 74.498 43.234 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.077 75.855 42.668 1.00 0.00 H new ATOM 0 HG2 LYS A 32 89.054 76.070 44.968 1.00 0.00 H new ATOM 0 HG3 LYS A 32 90.062 74.748 45.524 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.104 76.028 44.925 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.118 77.339 44.309 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.123 77.675 46.568 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.062 76.333 47.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.143 78.436 47.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.087 77.496 46.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.178 78.796 45.967 1.00 0.00 H new ATOM 525 N ARG A 33 87.810 74.050 40.940 1.00 0.00 N ATOM 526 CA ARG A 33 87.260 73.210 39.880 1.00 0.00 C ATOM 527 C ARG A 33 86.400 73.990 38.920 1.00 0.00 C ATOM 528 O ARG A 33 86.070 75.130 39.210 1.00 0.00 O ATOM 529 CB ARG A 33 86.430 72.110 40.540 1.00 0.00 C ATOM 530 CG ARG A 33 85.170 72.570 41.270 1.00 0.00 C ATOM 531 CD ARG A 33 84.240 71.380 41.520 1.00 0.00 C ATOM 532 NE ARG A 33 84.830 70.400 42.460 1.00 0.00 N ATOM 533 CZ ARG A 33 84.250 69.270 42.820 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.120 68.920 42.310 1.00 0.00 N ATOM 535 NH2 ARG A 33 84.870 68.440 43.620 1.00 0.00 N ATOM 0 H ARG A 33 87.314 74.931 41.074 1.00 0.00 H new ATOM 0 HA ARG A 33 88.083 72.794 39.299 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.140 71.391 39.773 1.00 0.00 H new ATOM 0 HB3 ARG A 33 87.065 71.580 41.250 1.00 0.00 H new ATOM 0 HG2 ARG A 33 85.440 73.036 42.218 1.00 0.00 H new ATOM 0 HG3 ARG A 33 84.654 73.326 40.679 1.00 0.00 H new ATOM 0 HD2 ARG A 33 83.292 71.739 41.920 1.00 0.00 H new ATOM 0 HD3 ARG A 33 84.021 70.887 40.573 1.00 0.00 H new ATOM 0 HE ARG A 33 85.746 70.612 42.856 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.664 69.518 41.621 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.681 68.045 42.595 1.00 0.00 H new ATOM 0 HH21 ARG A 33 85.802 68.666 43.966 1.00 0.00 H new ATOM 0 HH22 ARG A 33 84.421 67.567 43.897 1.00 0.00 H new ATOM 549 N SER A 34 85.960 73.400 37.830 1.00 0.00 N ATOM 550 CA SER A 34 84.980 74.070 36.960 1.00 0.00 C ATOM 551 C SER A 34 83.890 73.120 36.520 1.00 0.00 C ATOM 552 O SER A 34 84.070 71.910 36.610 1.00 0.00 O ATOM 553 CB SER A 34 85.690 74.690 35.770 1.00 0.00 C ATOM 554 OG SER A 34 86.230 73.660 34.970 1.00 0.00 O ATOM 0 H SER A 34 86.251 72.474 37.517 1.00 0.00 H new ATOM 0 HA SER A 34 84.495 74.864 37.529 1.00 0.00 H new ATOM 0 HB2 SER A 34 84.993 75.293 35.188 1.00 0.00 H new ATOM 0 HB3 SER A 34 86.482 75.357 36.110 1.00 0.00 H new ATOM 0 HG SER A 34 86.551 74.037 34.124 1.00 0.00 H new ATOM 560 N ILE A 35 82.760 73.690 36.090 1.00 0.00 N ATOM 561 CA ILE A 35 81.510 72.970 35.840 1.00 0.00 C ATOM 562 C ILE A 35 80.890 73.360 34.470 1.00 0.00 C ATOM 563 O ILE A 35 80.970 74.470 33.960 1.00 0.00 O ATOM 564 CB ILE A 35 80.590 73.130 37.080 1.00 0.00 C ATOM 565 CG1 ILE A 35 81.160 72.390 38.290 1.00 0.00 C ATOM 566 CG2 ILE A 35 79.160 72.590 36.840 1.00 0.00 C ATOM 567 CD1 ILE A 35 80.390 72.840 39.520 1.00 0.00 C ATOM 0 H ILE A 35 82.689 74.690 35.902 1.00 0.00 H new ATOM 0 HA ILE A 35 81.685 71.900 35.729 1.00 0.00 H new ATOM 0 HB ILE A 35 80.543 74.203 37.266 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.068 71.312 38.156 1.00 0.00 H new ATOM 0 HG13 ILE A 35 82.222 72.607 38.404 1.00 0.00 H new ATOM 0 HG21 ILE A 35 78.563 72.729 37.741 1.00 0.00 H new ATOM 0 HG22 ILE A 35 78.701 73.132 36.013 1.00 0.00 H new ATOM 0 HG23 ILE A 35 79.208 71.529 36.596 1.00 0.00 H new ATOM 0 HD11 ILE A 35 80.777 72.326 40.400 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.506 73.916 39.648 1.00 0.00 H new ATOM 0 HD13 ILE A 35 79.334 72.601 39.396 1.00 0.00 H new ATOM 579 N PHE A 36 80.270 72.370 33.830 1.00 0.00 N ATOM 580 CA PHE A 36 79.400 72.580 32.670 1.00 0.00 C ATOM 581 C PHE A 36 77.920 72.600 33.080 1.00 0.00 C ATOM 582 O PHE A 36 77.460 71.760 33.830 1.00 0.00 O ATOM 583 CB PHE A 36 79.690 71.480 31.660 1.00 0.00 C ATOM 584 CG PHE A 36 80.940 71.740 30.860 1.00 0.00 C ATOM 585 CD1 PHE A 36 80.910 72.530 29.710 1.00 0.00 C ATOM 586 CD2 PHE A 36 82.160 71.220 31.310 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.070 72.720 28.940 1.00 0.00 C ATOM 588 CE2 PHE A 36 83.330 71.470 30.580 1.00 0.00 C ATOM 589 CZ PHE A 36 83.290 72.190 29.380 1.00 0.00 C ATOM 0 H PHE A 36 80.357 71.391 34.103 1.00 0.00 H new ATOM 0 HA PHE A 36 79.604 73.552 32.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.790 70.529 32.183 1.00 0.00 H new ATOM 0 HB3 PHE A 36 78.843 71.383 30.981 1.00 0.00 H new ATOM 0 HD1 PHE A 36 79.986 73.000 29.409 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.199 70.630 32.214 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.021 73.272 28.013 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.276 71.102 30.949 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.189 72.335 28.800 1.00 0.00 H new ATOM 599 N TYR A 37 77.130 73.510 32.510 1.00 0.00 N ATOM 600 CA TYR A 37 75.740 73.680 32.930 1.00 0.00 C ATOM 601 C TYR A 37 74.880 73.300 31.750 1.00 0.00 C ATOM 602 O TYR A 37 74.830 74.050 30.790 1.00 0.00 O ATOM 603 CB TYR A 37 75.440 75.110 33.350 1.00 0.00 C ATOM 604 CG TYR A 37 74.220 75.230 34.220 1.00 0.00 C ATOM 605 CD1 TYR A 37 72.940 75.210 33.640 1.00 0.00 C ATOM 606 CD2 TYR A 37 74.370 75.370 35.600 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.810 75.310 34.460 1.00 0.00 C ATOM 608 CE2 TYR A 37 73.220 75.480 36.410 1.00 0.00 C ATOM 609 CZ TYR A 37 71.930 75.390 35.850 1.00 0.00 C ATOM 610 OH TYR A 37 70.780 75.440 36.560 1.00 0.00 O ATOM 0 H TYR A 37 77.426 74.136 31.762 1.00 0.00 H new ATOM 0 HA TYR A 37 75.539 73.053 33.799 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.300 75.512 33.885 1.00 0.00 H new ATOM 0 HB3 TYR A 37 75.304 75.722 32.459 1.00 0.00 H new ATOM 0 HD1 TYR A 37 72.829 75.118 32.570 1.00 0.00 H new ATOM 0 HD2 TYR A 37 75.355 75.394 36.043 1.00 0.00 H new ATOM 0 HE1 TYR A 37 70.828 75.326 34.011 1.00 0.00 H new ATOM 0 HE2 TYR A 37 73.330 75.635 37.473 1.00 0.00 H new ATOM 0 HH TYR A 37 70.988 75.493 37.516 1.00 0.00 H new ATOM 620 N PHE A 38 74.230 72.170 31.810 1.00 0.00 N ATOM 621 CA PHE A 38 73.350 71.690 30.770 1.00 0.00 C ATOM 622 C PHE A 38 71.960 72.220 31.110 1.00 0.00 C ATOM 623 O PHE A 38 71.260 71.660 31.980 1.00 0.00 O ATOM 624 CB PHE A 38 73.410 70.180 30.700 1.00 0.00 C ATOM 625 CG PHE A 38 72.450 69.570 29.680 1.00 0.00 C ATOM 626 CD1 PHE A 38 71.040 69.570 29.820 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.950 68.910 28.550 1.00 0.00 C ATOM 628 CE1 PHE A 38 70.190 69.000 28.860 1.00 0.00 C ATOM 629 CE2 PHE A 38 72.080 68.330 27.630 1.00 0.00 C ATOM 630 CZ PHE A 38 70.700 68.390 27.730 1.00 0.00 C ATOM 0 H PHE A 38 74.297 71.536 32.606 1.00 0.00 H new ATOM 0 HA PHE A 38 73.639 72.042 29.780 1.00 0.00 H new ATOM 0 HB2 PHE A 38 74.428 69.877 30.453 1.00 0.00 H new ATOM 0 HB3 PHE A 38 73.186 69.771 31.685 1.00 0.00 H new ATOM 0 HD1 PHE A 38 70.604 70.025 30.697 1.00 0.00 H new ATOM 0 HD2 PHE A 38 74.017 68.851 28.391 1.00 0.00 H new ATOM 0 HE1 PHE A 38 69.121 69.039 29.007 1.00 0.00 H new ATOM 0 HE2 PHE A 38 72.506 67.803 26.789 1.00 0.00 H new ATOM 0 HZ PHE A 38 70.056 67.981 26.965 1.00 0.00 H new ATOM 640 N ALA A 39 71.520 73.260 30.470 1.00 0.00 N ATOM 641 CA ALA A 39 70.170 73.770 30.580 1.00 0.00 C ATOM 642 C ALA A 39 69.600 74.320 29.290 1.00 0.00 C ATOM 643 O ALA A 39 70.330 74.730 28.410 1.00 0.00 O ATOM 644 CB ALA A 39 70.120 74.790 31.690 1.00 0.00 C ATOM 0 H ALA A 39 72.104 73.802 29.833 1.00 0.00 H new ATOM 0 HA ALA A 39 69.526 72.923 30.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 69.106 75.180 31.780 1.00 0.00 H new ATOM 0 HB2 ALA A 39 70.413 74.321 32.629 1.00 0.00 H new ATOM 0 HB3 ALA A 39 70.804 75.608 31.464 1.00 0.00 H new ATOM 650 N PRO A 40 68.260 74.280 29.160 1.00 0.00 N ATOM 651 CA PRO A 40 67.620 73.560 28.080 1.00 0.00 C ATOM 652 C PRO A 40 67.910 74.220 26.740 1.00 0.00 C ATOM 653 O PRO A 40 67.770 75.440 26.640 1.00 0.00 O ATOM 654 CB PRO A 40 66.120 73.620 28.420 1.00 0.00 C ATOM 655 CG PRO A 40 65.970 74.900 29.220 1.00 0.00 C ATOM 656 CD PRO A 40 67.270 74.950 29.970 1.00 0.00 C ATOM 0 HA PRO A 40 67.981 72.536 27.989 1.00 0.00 H new ATOM 0 HB2 PRO A 40 65.508 73.640 27.518 1.00 0.00 H new ATOM 0 HB3 PRO A 40 65.808 72.750 28.998 1.00 0.00 H new ATOM 0 HG2 PRO A 40 65.835 75.770 28.577 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.112 74.864 29.891 1.00 0.00 H new ATOM 0 HD2 PRO A 40 67.564 75.982 30.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 67.173 74.462 30.940 1.00 0.00 H new ATOM 664 N THR A 41 68.020 73.390 25.700 1.00 0.00 N ATOM 665 CA THR A 41 67.890 73.830 24.310 1.00 0.00 C ATOM 666 C THR A 41 66.500 74.390 24.110 1.00 0.00 C ATOM 667 O THR A 41 66.320 75.390 23.420 1.00 0.00 O ATOM 668 CB THR A 41 68.040 72.670 23.290 1.00 0.00 C ATOM 669 OG1 THR A 41 69.200 71.910 23.340 1.00 0.00 O ATOM 670 CG2 THR A 41 67.880 73.120 21.850 1.00 0.00 C ATOM 0 H THR A 41 68.202 72.391 25.799 1.00 0.00 H new ATOM 0 HA THR A 41 68.681 74.560 24.138 1.00 0.00 H new ATOM 0 HB THR A 41 67.222 72.029 23.620 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.939 72.415 22.941 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.996 72.263 21.186 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.890 73.554 21.712 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.639 73.866 21.615 1.00 0.00 H new ATOM 678 N ASN A 42 65.500 73.710 24.660 1.00 0.00 N ATOM 679 CA ASN A 42 64.180 73.890 24.090 1.00 0.00 C ATOM 680 C ASN A 42 63.620 75.200 24.620 1.00 0.00 C ATOM 681 O ASN A 42 63.420 76.170 23.900 1.00 0.00 O ATOM 682 CB ASN A 42 63.380 72.630 24.380 1.00 0.00 C ATOM 683 CG ASN A 42 63.990 71.470 23.600 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.680 71.600 22.630 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.750 70.260 24.070 1.00 0.00 N ATOM 0 H ASN A 42 65.571 73.069 25.450 1.00 0.00 H new ATOM 0 HA ASN A 42 64.161 73.996 23.005 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.391 72.414 25.448 1.00 0.00 H new ATOM 0 HB3 ASN A 42 62.338 72.771 24.094 1.00 0.00 H new ATOM 0 HD21 ASN A 42 64.151 69.444 23.607 1.00 0.00 H new ATOM 0 HD22 ASN A 42 63.163 70.141 24.896 1.00 0.00 H new ATOM 692 N ALA A 43 63.470 75.250 25.920 1.00 0.00 N ATOM 693 CA ALA A 43 63.000 76.440 26.550 1.00 0.00 C ATOM 694 C ALA A 43 63.940 77.650 26.480 1.00 0.00 C ATOM 695 O ALA A 43 63.450 78.750 26.400 1.00 0.00 O ATOM 696 CB ALA A 43 62.830 76.060 27.980 1.00 0.00 C ATOM 0 H ALA A 43 63.669 74.477 26.555 1.00 0.00 H new ATOM 0 HA ALA A 43 62.097 76.768 26.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 62.469 76.920 28.544 1.00 0.00 H new ATOM 0 HB2 ALA A 43 62.109 75.246 28.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 63.788 75.735 28.387 1.00 0.00 H new ATOM 702 N HIS A 44 65.250 77.460 26.710 1.00 0.00 N ATOM 703 CA HIS A 44 66.210 78.440 27.270 1.00 0.00 C ATOM 704 C HIS A 44 66.080 78.730 28.770 1.00 0.00 C ATOM 705 O HIS A 44 66.960 79.310 29.400 1.00 0.00 O ATOM 706 CB HIS A 44 66.170 79.760 26.490 1.00 0.00 C ATOM 707 CG HIS A 44 66.800 79.560 25.170 1.00 0.00 C ATOM 708 ND1 HIS A 44 68.150 79.740 25.020 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.220 79.250 23.990 1.00 0.00 C ATOM 710 CE1 HIS A 44 68.380 79.530 23.740 1.00 0.00 C ATOM 711 NE2 HIS A 44 67.250 79.220 23.070 1.00 0.00 N ATOM 0 H HIS A 44 65.698 76.568 26.500 1.00 0.00 H new ATOM 0 HA HIS A 44 67.175 77.946 27.153 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.140 80.094 26.368 1.00 0.00 H new ATOM 0 HB3 HIS A 44 66.694 80.540 27.043 1.00 0.00 H new ATOM 0 HD2 HIS A 44 65.172 79.065 23.805 1.00 0.00 H new ATOM 0 HE1 HIS A 44 69.356 79.598 23.282 1.00 0.00 H new ATOM 0 HE2 HIS A 44 67.172 79.005 22.076 1.00 0.00 H new ATOM 719 N LYS A 45 64.990 78.340 29.400 1.00 0.00 N ATOM 720 CA LYS A 45 64.570 78.950 30.680 1.00 0.00 C ATOM 721 C LYS A 45 65.460 78.680 31.870 1.00 0.00 C ATOM 722 O LYS A 45 65.710 79.590 32.650 1.00 0.00 O ATOM 723 CB LYS A 45 63.160 78.490 30.960 1.00 0.00 C ATOM 724 CG LYS A 45 62.580 78.980 32.290 1.00 0.00 C ATOM 725 CD LYS A 45 61.140 78.510 32.480 1.00 0.00 C ATOM 726 CE LYS A 45 60.620 78.940 33.830 1.00 0.00 C ATOM 727 NZ LYS A 45 59.230 78.470 34.040 1.00 0.00 N ATOM 0 H LYS A 45 64.369 77.606 29.060 1.00 0.00 H new ATOM 0 HA LYS A 45 64.643 80.030 30.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.514 78.829 30.150 1.00 0.00 H new ATOM 0 HB3 LYS A 45 63.139 77.400 30.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 63.195 78.615 33.113 1.00 0.00 H new ATOM 0 HG3 LYS A 45 62.616 80.069 32.325 1.00 0.00 H new ATOM 0 HD2 LYS A 45 60.509 78.922 31.692 1.00 0.00 H new ATOM 0 HD3 LYS A 45 61.091 77.425 32.393 1.00 0.00 H new ATOM 0 HE2 LYS A 45 61.264 78.543 34.615 1.00 0.00 H new ATOM 0 HE3 LYS A 45 60.656 80.027 33.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.897 78.779 34.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.614 78.869 33.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.203 77.432 33.989 1.00 0.00 H new ATOM 741 N ASP A 46 65.840 77.430 32.080 1.00 0.00 N ATOM 742 CA ASP A 46 66.760 77.150 33.180 1.00 0.00 C ATOM 743 C ASP A 46 68.110 77.810 32.940 1.00 0.00 C ATOM 744 O ASP A 46 68.680 78.300 33.920 1.00 0.00 O ATOM 745 CB ASP A 46 66.920 75.660 33.430 1.00 0.00 C ATOM 746 CG ASP A 46 65.640 74.970 33.930 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.860 75.760 34.630 1.00 0.00 O ATOM 748 OD2 ASP A 46 65.420 73.810 33.750 1.00 0.00 O ATOM 0 H ASP A 46 65.544 76.622 31.533 1.00 0.00 H new ATOM 0 HA ASP A 46 66.322 77.579 34.081 1.00 0.00 H new ATOM 0 HB2 ASP A 46 67.243 75.179 32.506 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.713 75.508 34.162 1.00 0.00 H new ATOM 753 N MET A 47 68.570 77.870 31.690 1.00 0.00 N ATOM 754 CA MET A 47 69.840 78.480 31.340 1.00 0.00 C ATOM 755 C MET A 47 69.820 79.980 31.630 1.00 0.00 C ATOM 756 O MET A 47 70.760 80.500 32.220 1.00 0.00 O ATOM 757 CB MET A 47 70.140 78.220 29.860 1.00 0.00 C ATOM 758 CG MET A 47 71.530 78.730 29.490 1.00 0.00 C ATOM 759 SD MET A 47 71.770 78.400 27.740 1.00 0.00 S ATOM 760 CE MET A 47 70.770 79.740 27.030 1.00 0.00 C ATOM 0 H MET A 47 68.063 77.492 30.890 1.00 0.00 H new ATOM 0 HA MET A 47 70.627 78.034 31.948 1.00 0.00 H new ATOM 0 HB2 MET A 47 70.073 77.152 29.653 1.00 0.00 H new ATOM 0 HB3 MET A 47 69.390 78.712 29.241 1.00 0.00 H new ATOM 0 HG2 MET A 47 71.615 79.797 29.695 1.00 0.00 H new ATOM 0 HG3 MET A 47 72.294 78.229 30.084 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.960 79.808 25.959 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.713 79.534 27.198 1.00 0.00 H new ATOM 0 HE3 MET A 47 71.036 80.684 27.506 1.00 0.00 H new ATOM 770 N LEU A 48 68.710 80.650 31.320 1.00 0.00 N ATOM 771 CA LEU A 48 68.560 82.070 31.610 1.00 0.00 C ATOM 772 C LEU A 48 68.550 82.360 33.110 1.00 0.00 C ATOM 773 O LEU A 48 69.180 83.310 33.570 1.00 0.00 O ATOM 774 CB LEU A 48 67.270 82.600 30.970 1.00 0.00 C ATOM 775 CG LEU A 48 67.330 82.610 29.430 1.00 0.00 C ATOM 776 CD1 LEU A 48 65.980 83.050 28.880 1.00 0.00 C ATOM 777 CD2 LEU A 48 68.390 83.540 28.870 1.00 0.00 C ATOM 0 H LEU A 48 67.900 80.227 30.866 1.00 0.00 H new ATOM 0 HA LEU A 48 69.424 82.580 31.185 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.430 81.985 31.293 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.081 83.612 31.329 1.00 0.00 H new ATOM 0 HG LEU A 48 67.587 81.596 29.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.016 83.059 27.791 1.00 0.00 H new ATOM 0 HD12 LEU A 48 65.208 82.355 29.212 1.00 0.00 H new ATOM 0 HD13 LEU A 48 65.748 84.051 29.244 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.375 83.495 27.781 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.187 84.561 29.194 1.00 0.00 H new ATOM 0 HD23 LEU A 48 69.371 83.233 29.232 1.00 0.00 H new ATOM 789 N LYS A 49 67.870 81.510 33.880 1.00 0.00 N ATOM 790 CA LYS A 49 67.910 81.620 35.350 1.00 0.00 C ATOM 791 C LYS A 49 69.320 81.410 35.890 1.00 0.00 C ATOM 792 O LYS A 49 69.650 82.070 36.880 1.00 0.00 O ATOM 793 CB LYS A 49 66.960 80.610 35.990 1.00 0.00 C ATOM 794 CG LYS A 49 65.500 80.970 35.750 1.00 0.00 C ATOM 795 CD LYS A 49 64.560 79.970 36.400 1.00 0.00 C ATOM 796 CE LYS A 49 63.120 80.390 36.130 1.00 0.00 C ATOM 797 NZ LYS A 49 62.220 79.420 36.780 1.00 0.00 N ATOM 0 H LYS A 49 67.292 80.748 33.524 1.00 0.00 H new ATOM 0 HA LYS A 49 67.591 82.630 35.608 1.00 0.00 H new ATOM 0 HB2 LYS A 49 67.160 79.618 35.586 1.00 0.00 H new ATOM 0 HB3 LYS A 49 67.150 80.562 37.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 65.301 81.966 36.145 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.306 81.008 34.678 1.00 0.00 H new ATOM 0 HD2 LYS A 49 64.741 78.971 36.003 1.00 0.00 H new ATOM 0 HD3 LYS A 49 64.743 79.925 37.474 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.939 81.393 36.517 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.930 80.423 35.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.233 79.653 36.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 62.438 78.462 36.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 62.353 79.460 37.811 1.00 0.00 H new ATOM 811 N ALA A 50 70.110 80.520 35.310 1.00 0.00 N ATOM 812 CA ALA A 50 71.460 80.250 35.790 1.00 0.00 C ATOM 813 C ALA A 50 72.320 81.520 35.830 1.00 0.00 C ATOM 814 O ALA A 50 72.920 81.820 36.830 1.00 0.00 O ATOM 815 CB ALA A 50 72.130 79.170 34.940 1.00 0.00 C ATOM 0 H ALA A 50 69.837 79.966 34.498 1.00 0.00 H new ATOM 0 HA ALA A 50 71.373 79.885 36.813 1.00 0.00 H new ATOM 0 HB1 ALA A 50 73.136 78.984 35.315 1.00 0.00 H new ATOM 0 HB2 ALA A 50 71.547 78.251 34.994 1.00 0.00 H new ATOM 0 HB3 ALA A 50 72.185 79.504 33.904 1.00 0.00 H new ATOM 821 N VAL A 51 72.240 82.300 34.730 1.00 0.00 N ATOM 822 CA VAL A 51 72.970 83.560 34.620 1.00 0.00 C ATOM 823 C VAL A 51 72.660 84.500 35.770 1.00 0.00 C ATOM 824 O VAL A 51 73.560 85.090 36.360 1.00 0.00 O ATOM 825 CB VAL A 51 72.610 84.220 33.280 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.300 85.550 33.200 1.00 0.00 C ATOM 827 CG2 VAL A 51 73.130 83.370 32.100 1.00 0.00 C ATOM 0 H VAL A 51 71.675 82.071 33.912 1.00 0.00 H new ATOM 0 HA VAL A 51 74.038 83.348 34.664 1.00 0.00 H new ATOM 0 HB VAL A 51 71.526 84.318 33.222 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.054 86.031 32.253 1.00 0.00 H new ATOM 0 HG12 VAL A 51 72.970 86.181 34.025 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.378 85.405 33.264 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.866 83.853 31.159 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.214 83.277 32.168 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.678 82.379 32.138 1.00 0.00 H new ATOM 837 N ASP A 52 71.370 84.620 36.080 1.00 0.00 N ATOM 838 CA ASP A 52 70.950 85.400 37.230 1.00 0.00 C ATOM 839 C ASP A 52 71.420 84.800 38.530 1.00 0.00 C ATOM 840 O ASP A 52 71.960 85.530 39.360 1.00 0.00 O ATOM 841 CB ASP A 52 69.450 85.610 37.220 1.00 0.00 C ATOM 842 CG ASP A 52 69.110 86.620 36.090 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.970 87.330 35.560 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.940 86.610 35.630 1.00 0.00 O ATOM 0 H ASP A 52 70.609 84.190 35.554 1.00 0.00 H new ATOM 0 HA ASP A 52 71.427 86.377 37.152 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.935 84.664 37.052 1.00 0.00 H new ATOM 0 HB3 ASP A 52 69.113 85.990 38.184 1.00 0.00 H new ATOM 849 N PHE A 53 71.290 83.510 38.700 1.00 0.00 N ATOM 850 CA PHE A 53 71.650 82.930 39.970 1.00 0.00 C ATOM 851 C PHE A 53 73.140 83.110 40.290 1.00 0.00 C ATOM 852 O PHE A 53 73.520 83.330 41.440 1.00 0.00 O ATOM 853 CB PHE A 53 71.230 81.470 39.910 1.00 0.00 C ATOM 854 CG PHE A 53 69.820 81.100 39.900 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.920 81.930 40.540 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.440 79.920 39.260 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.580 81.600 40.490 1.00 0.00 C ATOM 858 CE2 PHE A 53 68.090 79.560 39.230 1.00 0.00 C ATOM 859 CZ PHE A 53 67.170 80.420 39.840 1.00 0.00 C ATOM 0 H PHE A 53 70.947 82.855 37.997 1.00 0.00 H new ATOM 0 HA PHE A 53 71.138 83.437 40.788 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.680 81.044 39.013 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.687 80.970 40.764 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.255 82.812 41.065 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.182 79.290 38.792 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.847 82.247 40.949 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.767 78.647 38.751 1.00 0.00 H new ATOM 0 HZ PHE A 53 66.119 80.173 39.812 1.00 0.00 H new ATOM 869 N PHE A 54 73.990 83.060 39.260 1.00 0.00 N ATOM 870 CA PHE A 54 75.420 82.980 39.470 1.00 0.00 C ATOM 871 C PHE A 54 75.990 84.300 39.900 1.00 0.00 C ATOM 872 O PHE A 54 76.910 84.320 40.710 1.00 0.00 O ATOM 873 CB PHE A 54 76.110 82.580 38.180 1.00 0.00 C ATOM 874 CG PHE A 54 75.850 81.200 37.710 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.890 80.170 38.610 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.500 80.910 36.400 1.00 0.00 C ATOM 877 CE1 PHE A 54 75.440 78.960 38.230 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.240 79.600 35.980 1.00 0.00 C ATOM 879 CZ PHE A 54 75.140 78.580 36.920 1.00 0.00 C ATOM 0 H PHE A 54 73.705 83.074 38.281 1.00 0.00 H new ATOM 0 HA PHE A 54 75.589 82.240 40.252 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.805 83.274 37.397 1.00 0.00 H new ATOM 0 HB3 PHE A 54 77.185 82.702 38.312 1.00 0.00 H new ATOM 0 HD1 PHE A 54 76.276 80.325 39.607 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.426 81.716 35.685 1.00 0.00 H new ATOM 0 HE1 PHE A 54 75.299 78.220 39.004 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.117 79.382 34.929 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.853 77.573 36.657 1.00 0.00 H new ATOM 889 N LYS A 55 75.450 85.390 39.420 1.00 0.00 N ATOM 890 CA LYS A 55 75.710 86.760 39.910 1.00 0.00 C ATOM 891 C LYS A 55 75.210 86.940 41.340 1.00 0.00 C ATOM 892 O LYS A 55 75.900 87.600 42.120 1.00 0.00 O ATOM 893 CB LYS A 55 74.950 87.740 39.050 1.00 0.00 C ATOM 894 CG LYS A 55 75.490 87.760 37.620 1.00 0.00 C ATOM 895 CD LYS A 55 74.730 88.750 36.730 1.00 0.00 C ATOM 896 CE LYS A 55 75.300 88.760 35.330 1.00 0.00 C ATOM 897 NZ LYS A 55 74.520 89.710 34.520 1.00 0.00 N ATOM 0 H LYS A 55 74.787 85.369 38.645 1.00 0.00 H new ATOM 0 HA LYS A 55 76.786 86.930 39.872 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.893 87.473 39.038 1.00 0.00 H new ATOM 0 HB3 LYS A 55 75.022 88.738 39.482 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.547 88.025 37.636 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.419 86.760 37.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.675 88.479 36.696 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.789 89.750 37.159 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.350 89.051 35.350 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.254 87.762 34.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.897 89.732 33.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.524 89.411 34.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.587 90.660 34.939 1.00 0.00 H new ATOM 911 N GLU A 56 74.050 86.390 41.660 1.00 0.00 N ATOM 912 CA GLU A 56 73.420 86.510 42.970 1.00 0.00 C ATOM 913 C GLU A 56 74.270 85.920 44.080 1.00 0.00 C ATOM 914 O GLU A 56 74.260 86.450 45.180 1.00 0.00 O ATOM 915 CB GLU A 56 72.050 85.840 42.980 1.00 0.00 C ATOM 916 CG GLU A 56 71.000 86.620 42.190 1.00 0.00 C ATOM 917 CD GLU A 56 69.630 85.910 42.170 1.00 0.00 C ATOM 918 OE1 GLU A 56 69.500 84.810 42.750 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.680 86.510 41.620 1.00 0.00 O ATOM 0 H GLU A 56 73.505 85.833 41.002 1.00 0.00 H new ATOM 0 HA GLU A 56 73.310 87.578 43.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.139 84.837 42.564 1.00 0.00 H new ATOM 0 HB3 GLU A 56 71.713 85.729 44.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.885 87.613 42.625 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.349 86.759 41.167 1.00 0.00 H new ATOM 926 N LYS A 57 75.010 84.820 43.810 1.00 0.00 N ATOM 927 CA LYS A 57 75.910 84.170 44.780 1.00 0.00 C ATOM 928 C LYS A 57 77.360 84.110 44.310 1.00 0.00 C ATOM 929 O LYS A 57 77.580 83.610 43.230 1.00 0.00 O ATOM 930 CB LYS A 57 75.400 82.750 44.980 1.00 0.00 C ATOM 931 CG LYS A 57 74.110 82.790 45.800 1.00 0.00 C ATOM 932 CD LYS A 57 73.690 81.350 45.970 1.00 0.00 C ATOM 933 CE LYS A 57 72.380 81.250 46.770 1.00 0.00 C ATOM 934 NZ LYS A 57 72.000 79.820 46.930 1.00 0.00 N ATOM 0 H LYS A 57 74.996 84.357 42.901 1.00 0.00 H new ATOM 0 HA LYS A 57 75.905 84.755 45.699 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.217 82.277 44.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.152 82.149 45.492 1.00 0.00 H new ATOM 0 HG2 LYS A 57 74.275 83.267 46.766 1.00 0.00 H new ATOM 0 HG3 LYS A 57 73.338 83.365 45.288 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.559 80.887 44.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 74.477 80.796 46.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 72.503 81.716 47.748 1.00 0.00 H new ATOM 0 HE3 LYS A 57 71.586 81.792 46.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.964 79.735 46.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.389 79.267 46.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 72.382 79.458 47.827 1.00 0.00 H new ATOM 948 N GLY A 58 78.320 84.460 45.140 1.00 0.00 N ATOM 949 CA GLY A 58 79.740 84.810 44.880 1.00 0.00 C ATOM 950 C GLY A 58 80.840 83.730 44.660 1.00 0.00 C ATOM 951 O GLY A 58 82.020 84.120 44.630 1.00 0.00 O ATOM 0 H GLY A 58 78.120 84.519 46.139 1.00 0.00 H new ATOM 0 HA2 GLY A 58 79.747 85.448 43.996 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.069 85.424 45.719 1.00 0.00 H new ATOM 955 N HIS A 59 80.540 82.430 44.610 1.00 0.00 N ATOM 956 CA HIS A 59 81.490 81.280 44.650 1.00 0.00 C ATOM 957 C HIS A 59 82.230 80.910 43.350 1.00 0.00 C ATOM 958 O HIS A 59 83.360 80.460 43.360 1.00 0.00 O ATOM 959 CB HIS A 59 80.660 80.050 45.030 1.00 0.00 C ATOM 960 CG HIS A 59 80.020 80.090 46.390 1.00 0.00 C ATOM 961 ND1 HIS A 59 80.750 80.200 47.570 1.00 0.00 N ATOM 962 CD2 HIS A 59 78.690 80.170 46.670 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.840 80.420 48.520 1.00 0.00 C ATOM 964 NE2 HIS A 59 78.600 80.310 48.040 1.00 0.00 N ATOM 0 H HIS A 59 79.572 82.117 44.536 1.00 0.00 H new ATOM 0 HA HIS A 59 82.271 81.585 45.346 1.00 0.00 H new ATOM 0 HB2 HIS A 59 79.876 79.919 44.284 1.00 0.00 H new ATOM 0 HB3 HIS A 59 81.302 79.171 44.977 1.00 0.00 H new ATOM 0 HD2 HIS A 59 77.873 80.132 45.965 1.00 0.00 H new ATOM 0 HE1 HIS A 59 80.077 80.657 49.547 1.00 0.00 H new ATOM 0 HE2 HIS A 59 77.740 80.326 48.588 1.00 0.00 H new ATOM 972 N THR A 60 81.540 80.990 42.190 1.00 0.00 N ATOM 973 CA THR A 60 82.170 80.960 40.870 1.00 0.00 C ATOM 974 C THR A 60 83.220 82.060 40.700 1.00 0.00 C ATOM 975 O THR A 60 83.030 83.220 41.140 1.00 0.00 O ATOM 976 CB THR A 60 81.100 81.020 39.790 1.00 0.00 C ATOM 977 OG1 THR A 60 81.740 80.850 38.550 1.00 0.00 O ATOM 978 CG2 THR A 60 80.370 82.360 39.760 1.00 0.00 C ATOM 0 H THR A 60 80.524 81.078 42.154 1.00 0.00 H new ATOM 0 HA THR A 60 82.711 80.019 40.772 1.00 0.00 H new ATOM 0 HB THR A 60 80.364 80.243 39.998 1.00 0.00 H new ATOM 0 HG1 THR A 60 82.613 80.427 38.688 1.00 0.00 H new ATOM 0 HG21 THR A 60 79.618 82.347 38.971 1.00 0.00 H new ATOM 0 HG22 THR A 60 79.885 82.532 40.721 1.00 0.00 H new ATOM 0 HG23 THR A 60 81.085 83.160 39.567 1.00 0.00 H new ATOM 986 N ALA A 61 84.320 81.750 40.060 1.00 0.00 N ATOM 987 CA ALA A 61 85.230 82.750 39.530 1.00 0.00 C ATOM 988 C ALA A 61 84.570 83.500 38.370 1.00 0.00 C ATOM 989 O ALA A 61 84.670 84.730 38.310 1.00 0.00 O ATOM 990 CB ALA A 61 86.510 82.080 39.050 1.00 0.00 C ATOM 0 H ALA A 61 84.617 80.789 39.888 1.00 0.00 H new ATOM 0 HA ALA A 61 85.472 83.462 40.319 1.00 0.00 H new ATOM 0 HB1 ALA A 61 87.189 82.835 38.653 1.00 0.00 H new ATOM 0 HB2 ALA A 61 86.987 81.566 39.885 1.00 0.00 H new ATOM 0 HB3 ALA A 61 86.272 81.359 38.268 1.00 0.00 H new ATOM 996 N TYR A 62 83.980 82.760 37.430 1.00 0.00 N ATOM 997 CA TYR A 62 83.470 83.310 36.180 1.00 0.00 C ATOM 998 C TYR A 62 82.410 82.430 35.500 1.00 0.00 C ATOM 999 O TYR A 62 82.530 81.190 35.590 1.00 0.00 O ATOM 1000 CB TYR A 62 84.690 83.490 35.260 1.00 0.00 C ATOM 1001 CG TYR A 62 84.330 84.100 33.940 1.00 0.00 C ATOM 1002 CD1 TYR A 62 84.050 85.470 33.840 1.00 0.00 C ATOM 1003 CD2 TYR A 62 84.270 83.280 32.790 1.00 0.00 C ATOM 1004 CE1 TYR A 62 83.680 86.040 32.620 1.00 0.00 C ATOM 1005 CE2 TYR A 62 83.960 83.870 31.570 1.00 0.00 C ATOM 1006 CZ TYR A 62 83.560 85.220 31.480 1.00 0.00 C ATOM 1007 OH TYR A 62 83.120 85.790 30.330 1.00 0.00 O ATOM 0 H TYR A 62 83.843 81.753 37.519 1.00 0.00 H new ATOM 0 HA TYR A 62 82.959 84.250 36.387 1.00 0.00 H new ATOM 0 HB2 TYR A 62 85.427 84.120 35.759 1.00 0.00 H new ATOM 0 HB3 TYR A 62 85.160 82.521 35.092 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.121 86.093 34.719 1.00 0.00 H new ATOM 0 HD2 TYR A 62 84.461 82.219 32.858 1.00 0.00 H new ATOM 0 HE1 TYR A 62 83.487 87.100 32.551 1.00 0.00 H new ATOM 0 HE2 TYR A 62 84.027 83.280 30.668 1.00 0.00 H new ATOM 0 HH TYR A 62 83.085 85.113 29.622 1.00 0.00 H new ATOM 1017 N LEU A 63 81.490 82.970 34.700 1.00 0.00 N ATOM 1018 CA LEU A 63 80.690 82.160 33.780 1.00 0.00 C ATOM 1019 C LEU A 63 80.780 82.630 32.330 1.00 0.00 C ATOM 1020 O LEU A 63 80.580 83.820 32.050 1.00 0.00 O ATOM 1021 CB LEU A 63 79.240 82.090 34.250 1.00 0.00 C ATOM 1022 CG LEU A 63 78.360 81.210 33.340 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.070 81.050 34.030 1.00 0.00 C ATOM 1024 CD2 LEU A 63 77.950 81.900 32.060 1.00 0.00 C ATOM 0 H LEU A 63 81.280 83.968 34.670 1.00 0.00 H new ATOM 0 HA LEU A 63 81.114 81.156 33.796 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.211 81.697 35.266 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.825 83.097 34.285 1.00 0.00 H new ATOM 0 HG LEU A 63 78.929 80.304 33.131 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.408 80.432 33.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.231 80.571 34.996 1.00 0.00 H new ATOM 0 HD13 LEU A 63 76.615 82.029 34.182 1.00 0.00 H new ATOM 0 HD21 LEU A 63 77.333 81.227 31.465 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.381 82.799 32.297 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.840 82.173 31.493 1.00 0.00 H new ATOM 1036 N ASP A 64 80.880 81.680 31.400 1.00 0.00 N ATOM 1037 CA ASP A 64 80.630 81.900 29.960 1.00 0.00 C ATOM 1038 C ASP A 64 79.810 80.790 29.270 1.00 0.00 C ATOM 1039 O ASP A 64 79.570 79.730 29.850 1.00 0.00 O ATOM 1040 CB ASP A 64 81.960 82.040 29.250 1.00 0.00 C ATOM 1041 CG ASP A 64 81.850 83.040 28.070 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.760 83.320 27.600 1.00 0.00 O ATOM 1043 OD2 ASP A 64 82.920 83.620 27.640 1.00 0.00 O ATOM 0 H ASP A 64 81.140 80.719 31.621 1.00 0.00 H new ATOM 0 HA ASP A 64 80.027 82.806 29.892 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.719 82.382 29.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 82.284 81.067 28.880 1.00 0.00 H new ATOM 1048 N GLU A 65 79.340 81.000 28.050 1.00 0.00 N ATOM 1049 CA GLU A 65 78.780 79.880 27.310 1.00 0.00 C ATOM 1050 C GLU A 65 79.880 78.890 26.890 1.00 0.00 C ATOM 1051 O GLU A 65 81.090 79.180 26.960 1.00 0.00 O ATOM 1052 CB GLU A 65 77.980 80.310 26.080 1.00 0.00 C ATOM 1053 CG GLU A 65 76.790 81.220 26.400 1.00 0.00 C ATOM 1054 CD GLU A 65 76.080 81.720 25.120 1.00 0.00 C ATOM 1055 OE1 GLU A 65 76.620 81.510 24.000 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.040 82.410 25.220 1.00 0.00 O ATOM 0 H GLU A 65 79.333 81.898 27.566 1.00 0.00 H new ATOM 0 HA GLU A 65 78.087 79.390 27.994 1.00 0.00 H new ATOM 0 HB2 GLU A 65 78.645 80.828 25.389 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.616 79.420 25.566 1.00 0.00 H new ATOM 0 HG2 GLU A 65 76.077 80.679 27.022 1.00 0.00 H new ATOM 0 HG3 GLU A 65 77.134 82.076 26.981 1.00 0.00 H new ATOM 1063 N VAL A 66 79.530 77.760 26.340 1.00 0.00 N ATOM 1064 CA VAL A 66 80.360 77.080 25.330 1.00 0.00 C ATOM 1065 C VAL A 66 80.210 77.700 23.920 1.00 0.00 C ATOM 1066 O VAL A 66 79.150 78.230 23.600 1.00 0.00 O ATOM 1067 CB VAL A 66 79.970 75.610 25.310 1.00 0.00 C ATOM 1068 CG1 VAL A 66 80.260 74.940 26.660 1.00 0.00 C ATOM 1069 CG2 VAL A 66 78.530 75.360 24.860 1.00 0.00 C ATOM 0 H VAL A 66 78.665 77.268 26.566 1.00 0.00 H new ATOM 0 HA VAL A 66 81.408 77.199 25.603 1.00 0.00 H new ATOM 0 HB VAL A 66 80.599 75.145 24.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.971 73.890 26.615 1.00 0.00 H new ATOM 0 HG12 VAL A 66 81.325 75.014 26.882 1.00 0.00 H new ATOM 0 HG13 VAL A 66 79.691 75.440 27.444 1.00 0.00 H new ATOM 0 HG21 VAL A 66 78.326 74.289 24.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 77.844 75.867 25.538 1.00 0.00 H new ATOM 0 HG23 VAL A 66 78.393 75.745 23.849 1.00 0.00 H new ATOM 1079 N ARG A 67 81.100 77.470 22.950 1.00 0.00 N ATOM 1080 CA ARG A 67 80.750 77.450 21.510 1.00 0.00 C ATOM 1081 C ARG A 67 80.530 76.070 20.870 1.00 0.00 C ATOM 1082 O ARG A 67 80.900 75.820 19.750 1.00 0.00 O ATOM 1083 CB ARG A 67 81.700 78.300 20.670 1.00 0.00 C ATOM 1084 CG ARG A 67 81.530 79.800 20.890 1.00 0.00 C ATOM 1085 CD ARG A 67 80.170 80.320 20.380 1.00 0.00 C ATOM 1086 NE ARG A 67 79.910 81.640 20.910 1.00 0.00 N ATOM 1087 CZ ARG A 67 79.430 81.860 22.120 1.00 0.00 C ATOM 1088 NH1 ARG A 67 79.050 80.900 22.880 1.00 0.00 N ATOM 1089 NH2 ARG A 67 79.290 83.060 22.560 1.00 0.00 N ATOM 0 H ARG A 67 82.088 77.291 23.132 1.00 0.00 H new ATOM 0 HA ARG A 67 79.759 77.904 21.503 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.727 78.021 20.903 1.00 0.00 H new ATOM 0 HB3 ARG A 67 81.540 78.075 19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.625 80.021 21.953 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.333 80.332 20.381 1.00 0.00 H new ATOM 0 HD2 ARG A 67 80.170 80.351 19.290 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.375 79.637 20.680 1.00 0.00 H new ATOM 0 HE ARG A 67 80.108 82.445 20.316 1.00 0.00 H new ATOM 0 HH11 ARG A 67 79.115 79.936 22.554 1.00 0.00 H new ATOM 0 HH12 ARG A 67 78.683 81.101 23.810 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.551 83.852 21.973 1.00 0.00 H new ATOM 0 HH22 ARG A 67 78.918 83.220 23.496 1.00 0.00 H new ATOM 1103 N VAL A 68 79.670 75.270 21.490 1.00 0.00 N ATOM 1104 CA VAL A 68 78.610 74.560 20.730 1.00 0.00 C ATOM 1105 C VAL A 68 77.260 75.200 21.020 1.00 0.00 C ATOM 1106 O VAL A 68 76.220 74.650 20.670 1.00 0.00 O ATOM 1107 CB VAL A 68 78.580 73.090 21.090 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.920 72.500 20.690 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.400 72.920 22.600 1.00 0.00 C ATOM 0 H VAL A 68 79.671 75.089 22.494 1.00 0.00 H new ATOM 0 HA VAL A 68 78.829 74.642 19.665 1.00 0.00 H new ATOM 0 HB VAL A 68 77.754 72.594 20.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.937 71.438 20.934 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.068 72.628 19.618 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.718 73.010 21.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.380 71.858 22.847 1.00 0.00 H new ATOM 0 HG22 VAL A 68 79.229 73.398 23.121 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.462 73.382 22.909 1.00 0.00 H new ATOM 1119 N SER A 69 77.250 76.360 21.670 1.00 0.00 N ATOM 1120 CA SER A 69 76.030 77.110 21.920 1.00 0.00 C ATOM 1121 C SER A 69 75.340 77.330 20.590 1.00 0.00 C ATOM 1122 O SER A 69 74.140 77.190 20.470 1.00 0.00 O ATOM 1123 CB SER A 69 76.300 78.500 22.510 1.00 0.00 C ATOM 1124 OG SER A 69 76.950 79.330 21.560 1.00 0.00 O ATOM 0 H SER A 69 78.091 76.805 22.038 1.00 0.00 H new ATOM 0 HA SER A 69 75.433 76.538 22.630 1.00 0.00 H new ATOM 0 HB2 SER A 69 75.360 78.958 22.818 1.00 0.00 H new ATOM 0 HB3 SER A 69 76.918 78.408 23.403 1.00 0.00 H new ATOM 0 HG SER A 69 76.700 80.265 21.717 1.00 0.00 H new ATOM 1130 N THR A 70 76.150 77.670 19.590 1.00 0.00 N ATOM 1131 CA THR A 70 75.680 78.290 18.370 1.00 0.00 C ATOM 1132 C THR A 70 74.810 77.320 17.630 1.00 0.00 C ATOM 1133 O THR A 70 73.750 77.690 17.130 1.00 0.00 O ATOM 1134 CB THR A 70 76.850 78.700 17.510 1.00 0.00 C ATOM 1135 OG1 THR A 70 77.450 79.760 18.220 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.330 79.280 16.230 1.00 0.00 C ATOM 0 H THR A 70 77.158 77.518 19.611 1.00 0.00 H new ATOM 0 HA THR A 70 75.103 79.182 18.615 1.00 0.00 H new ATOM 0 HB THR A 70 77.520 77.866 17.299 1.00 0.00 H new ATOM 0 HG1 THR A 70 78.229 80.087 17.723 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.167 79.580 15.600 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.733 78.532 15.708 1.00 0.00 H new ATOM 0 HG23 THR A 70 75.711 80.150 16.450 1.00 0.00 H new ATOM 1144 N ASP A 71 75.310 76.100 17.650 1.00 0.00 N ATOM 1145 CA ASP A 71 74.690 74.910 17.170 1.00 0.00 C ATOM 1146 C ASP A 71 73.600 74.370 18.100 1.00 0.00 C ATOM 1147 O ASP A 71 72.540 74.080 17.590 1.00 0.00 O ATOM 1148 CB ASP A 71 75.830 73.940 16.960 1.00 0.00 C ATOM 1149 CG ASP A 71 76.720 74.310 15.750 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.310 75.200 14.960 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.870 73.840 15.670 1.00 0.00 O ATOM 0 H ASP A 71 76.236 75.916 18.036 1.00 0.00 H new ATOM 0 HA ASP A 71 74.142 75.093 16.246 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.444 73.908 17.860 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.426 72.938 16.815 1.00 0.00 H new ATOM 1156 N GLU A 72 73.770 74.240 19.430 1.00 0.00 N ATOM 1157 CA GLU A 72 72.870 73.390 20.240 1.00 0.00 C ATOM 1158 C GLU A 72 72.270 74.020 21.510 1.00 0.00 C ATOM 1159 O GLU A 72 71.320 73.510 22.080 1.00 0.00 O ATOM 1160 CB GLU A 72 73.550 72.030 20.540 1.00 0.00 C ATOM 1161 CG GLU A 72 73.710 71.110 19.350 1.00 0.00 C ATOM 1162 CD GLU A 72 74.410 69.800 19.720 1.00 0.00 C ATOM 1163 OE1 GLU A 72 75.160 69.740 20.740 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.370 68.920 18.850 1.00 0.00 O ATOM 0 H GLU A 72 74.508 74.703 19.961 1.00 0.00 H new ATOM 0 HA GLU A 72 71.992 73.248 19.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 74.535 72.221 20.965 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.968 71.512 21.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.729 70.889 18.930 1.00 0.00 H new ATOM 0 HG3 GLU A 72 74.282 71.619 18.574 1.00 0.00 H new ATOM 1171 N LYS A 73 72.780 75.190 21.890 1.00 0.00 N ATOM 1172 CA LYS A 73 72.400 76.000 23.060 1.00 0.00 C ATOM 1173 C LYS A 73 72.270 75.330 24.450 1.00 0.00 C ATOM 1174 O LYS A 73 71.410 75.770 25.200 1.00 0.00 O ATOM 1175 CB LYS A 73 71.090 76.680 22.680 1.00 0.00 C ATOM 1176 CG LYS A 73 71.340 77.610 21.500 1.00 0.00 C ATOM 1177 CD LYS A 73 70.030 78.180 21.040 1.00 0.00 C ATOM 1178 CE LYS A 73 70.240 79.230 19.970 1.00 0.00 C ATOM 1179 NZ LYS A 73 68.940 79.850 19.660 1.00 0.00 N ATOM 0 H LYS A 73 73.525 75.635 21.353 1.00 0.00 H new ATOM 0 HA LYS A 73 73.247 76.663 23.240 1.00 0.00 H new ATOM 0 HB2 LYS A 73 70.340 75.933 22.419 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.698 77.243 23.527 1.00 0.00 H new ATOM 0 HG2 LYS A 73 72.018 78.412 21.790 1.00 0.00 H new ATOM 0 HG3 LYS A 73 71.820 77.066 20.687 1.00 0.00 H new ATOM 0 HD2 LYS A 73 69.398 77.381 20.651 1.00 0.00 H new ATOM 0 HD3 LYS A 73 69.503 78.619 21.887 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.947 79.985 20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.667 78.778 19.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 69.068 80.575 18.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 68.281 79.122 19.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 68.552 80.291 20.518 1.00 0.00 H new ATOM 1193 N ASP A 74 73.130 74.410 24.890 1.00 0.00 N ATOM 1194 CA ASP A 74 72.850 73.690 26.140 1.00 0.00 C ATOM 1195 C ASP A 74 73.810 73.930 27.260 1.00 0.00 C ATOM 1196 O ASP A 74 73.360 73.950 28.410 1.00 0.00 O ATOM 1197 CB ASP A 74 72.790 72.210 25.980 1.00 0.00 C ATOM 1198 CG ASP A 74 71.690 71.820 25.050 1.00 0.00 C ATOM 1199 OD1 ASP A 74 70.470 72.270 25.630 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.760 71.110 24.250 1.00 0.00 O ATOM 0 H ASP A 74 73.998 74.150 24.421 1.00 0.00 H new ATOM 0 HA ASP A 74 71.878 74.111 26.396 1.00 0.00 H new ATOM 0 HB2 ASP A 74 73.742 71.842 25.598 1.00 0.00 H new ATOM 0 HB3 ASP A 74 72.634 71.741 26.951 1.00 0.00 H new ATOM 1205 N PHE A 75 75.080 74.130 26.960 1.00 0.00 N ATOM 1206 CA PHE A 75 76.110 74.180 27.990 1.00 0.00 C ATOM 1207 C PHE A 75 76.690 75.560 28.320 1.00 0.00 C ATOM 1208 O PHE A 75 77.240 76.250 27.490 1.00 0.00 O ATOM 1209 CB PHE A 75 77.210 73.210 27.670 1.00 0.00 C ATOM 1210 CG PHE A 75 76.760 71.780 27.830 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.900 71.150 29.070 1.00 0.00 C ATOM 1212 CD2 PHE A 75 76.240 71.090 26.740 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.640 69.780 29.200 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.930 69.730 26.870 1.00 0.00 C ATOM 1215 CZ PHE A 75 76.200 69.060 28.080 1.00 0.00 C ATOM 0 H PHE A 75 75.427 74.261 26.010 1.00 0.00 H new ATOM 0 HA PHE A 75 75.586 73.895 28.903 1.00 0.00 H new ATOM 0 HB2 PHE A 75 77.551 73.371 26.647 1.00 0.00 H new ATOM 0 HB3 PHE A 75 78.062 73.398 28.323 1.00 0.00 H new ATOM 0 HD1 PHE A 75 77.210 71.722 29.932 1.00 0.00 H new ATOM 0 HD2 PHE A 75 76.077 71.598 25.801 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.777 69.285 30.150 1.00 0.00 H new ATOM 0 HE2 PHE A 75 75.485 69.196 26.044 1.00 0.00 H new ATOM 0 HZ PHE A 75 76.068 67.990 28.145 1.00 0.00 H new ATOM 1225 N LEU A 76 76.570 75.970 29.590 1.00 0.00 N ATOM 1226 CA LEU A 76 77.480 76.970 30.110 1.00 0.00 C ATOM 1227 C LEU A 76 78.800 76.280 30.420 1.00 0.00 C ATOM 1228 O LEU A 76 78.810 75.070 30.730 1.00 0.00 O ATOM 1229 CB LEU A 76 76.910 77.640 31.360 1.00 0.00 C ATOM 1230 CG LEU A 76 75.530 78.300 31.120 1.00 0.00 C ATOM 1231 CD1 LEU A 76 74.910 78.740 32.440 1.00 0.00 C ATOM 1232 CD2 LEU A 76 75.680 79.510 30.200 1.00 0.00 C ATOM 0 H LEU A 76 75.871 75.630 30.250 1.00 0.00 H new ATOM 0 HA LEU A 76 77.629 77.757 29.371 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.818 76.898 32.153 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.612 78.397 31.711 1.00 0.00 H new ATOM 0 HG LEU A 76 74.877 77.565 30.650 1.00 0.00 H new ATOM 0 HD11 LEU A 76 73.941 79.201 32.251 1.00 0.00 H new ATOM 0 HD12 LEU A 76 74.779 77.873 33.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 75.566 79.461 32.928 1.00 0.00 H new ATOM 0 HD21 LEU A 76 74.704 79.967 30.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.349 80.237 30.661 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.095 79.191 29.244 1.00 0.00 H new ATOM 1244 N TYR A 77 79.880 77.010 30.370 1.00 0.00 N ATOM 1245 CA TYR A 77 81.120 76.700 31.050 1.00 0.00 C ATOM 1246 C TYR A 77 81.350 77.710 32.180 1.00 0.00 C ATOM 1247 O TYR A 77 81.600 78.900 31.920 1.00 0.00 O ATOM 1248 CB TYR A 77 82.270 76.750 30.060 1.00 0.00 C ATOM 1249 CG TYR A 77 83.550 76.280 30.710 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.700 74.940 31.100 1.00 0.00 C ATOM 1251 CD2 TYR A 77 84.640 77.160 30.850 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.930 74.480 31.600 1.00 0.00 C ATOM 1253 CE2 TYR A 77 85.860 76.700 31.360 1.00 0.00 C ATOM 1254 CZ TYR A 77 86.000 75.370 31.790 1.00 0.00 C ATOM 1255 OH TYR A 77 87.200 74.940 32.250 1.00 0.00 O ATOM 0 H TYR A 77 79.928 77.876 29.833 1.00 0.00 H new ATOM 0 HA TYR A 77 81.064 75.698 31.475 1.00 0.00 H new ATOM 0 HB2 TYR A 77 82.042 76.124 29.197 1.00 0.00 H new ATOM 0 HB3 TYR A 77 82.395 77.768 29.691 1.00 0.00 H new ATOM 0 HD1 TYR A 77 82.866 74.259 31.015 1.00 0.00 H new ATOM 0 HD2 TYR A 77 84.534 78.196 30.562 1.00 0.00 H new ATOM 0 HE1 TYR A 77 85.054 73.434 31.840 1.00 0.00 H new ATOM 0 HE2 TYR A 77 86.701 77.374 31.423 1.00 0.00 H new ATOM 0 HH TYR A 77 87.816 75.699 32.316 1.00 0.00 H new ATOM 1265 N GLU A 78 81.290 77.280 33.430 1.00 0.00 N ATOM 1266 CA GLU A 78 81.410 78.160 34.600 1.00 0.00 C ATOM 1267 C GLU A 78 82.420 77.600 35.620 1.00 0.00 C ATOM 1268 O GLU A 78 82.470 76.410 35.930 1.00 0.00 O ATOM 1269 CB GLU A 78 80.040 78.370 35.230 1.00 0.00 C ATOM 1270 CG GLU A 78 80.070 79.190 36.510 1.00 0.00 C ATOM 1271 CD GLU A 78 78.810 79.040 37.340 1.00 0.00 C ATOM 1272 OE1 GLU A 78 78.060 78.090 37.060 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.660 79.910 38.230 1.00 0.00 O ATOM 0 H GLU A 78 81.155 76.298 33.672 1.00 0.00 H new ATOM 0 HA GLU A 78 81.792 79.127 34.273 1.00 0.00 H new ATOM 0 HB2 GLU A 78 79.391 78.865 34.508 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.596 77.398 35.443 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.930 78.889 37.108 1.00 0.00 H new ATOM 0 HG3 GLU A 78 80.209 80.241 36.258 1.00 0.00 H new ATOM 1280 N LEU A 79 83.330 78.440 36.100 1.00 0.00 N ATOM 1281 CA LEU A 79 84.600 78.020 36.700 1.00 0.00 C ATOM 1282 C LEU A 79 84.620 78.460 38.140 1.00 0.00 C ATOM 1283 O LEU A 79 84.350 79.640 38.380 1.00 0.00 O ATOM 1284 CB LEU A 79 85.810 78.630 35.980 1.00 0.00 C ATOM 1285 CG LEU A 79 85.890 78.180 34.510 1.00 0.00 C ATOM 1286 CD1 LEU A 79 84.750 78.730 33.670 1.00 0.00 C ATOM 1287 CD2 LEU A 79 87.120 78.710 33.860 1.00 0.00 C ATOM 0 H LEU A 79 83.207 79.452 36.085 1.00 0.00 H new ATOM 0 HA LEU A 79 84.672 76.936 36.614 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.748 79.717 36.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.724 78.341 36.498 1.00 0.00 H new ATOM 0 HG LEU A 79 85.864 77.091 34.547 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.855 78.382 32.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.799 78.383 34.075 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.777 79.820 33.689 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.155 78.379 32.822 1.00 0.00 H new ATOM 0 HD22 LEU A 79 87.108 79.799 33.893 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.999 78.340 34.388 1.00 0.00 H new ATOM 1299 N HIS A 80 84.880 77.600 39.090 1.00 0.00 N ATOM 1300 CA HIS A 80 84.670 77.890 40.500 1.00 0.00 C ATOM 1301 C HIS A 80 86.000 78.040 41.160 1.00 0.00 C ATOM 1302 O HIS A 80 86.830 77.120 41.090 1.00 0.00 O ATOM 1303 CB HIS A 80 83.790 76.840 41.160 1.00 0.00 C ATOM 1304 CG HIS A 80 82.380 76.710 40.600 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.890 77.110 39.380 1.00 0.00 N flip ATOM 1306 CD2 HIS A 80 81.340 76.090 41.270 1.00 0.00 C flip ATOM 1307 CE1 HIS A 80 80.610 76.610 39.280 1.00 0.00 C flip ATOM 1308 NE2 HIS A 80 80.330 75.950 40.400 1.00 0.00 N flip ATOM 0 H HIS A 80 85.248 76.665 38.913 1.00 0.00 H new ATOM 0 HA HIS A 80 84.127 78.828 40.611 1.00 0.00 H new ATOM 0 HB2 HIS A 80 84.285 75.873 41.075 1.00 0.00 H new ATOM 0 HB3 HIS A 80 83.719 77.069 42.223 1.00 0.00 H new ATOM 0 HD2 HIS A 80 81.342 75.777 42.304 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.947 76.733 38.436 1.00 0.00 H new ATOM 0 HE2 HIS A 80 79.477 75.418 40.571 1.00 0.00 H new ATOM 1316 N ILE A 81 86.240 79.210 41.720 1.00 0.00 N ATOM 1317 CA ILE A 81 87.580 79.670 42.120 1.00 0.00 C ATOM 1318 C ILE A 81 88.750 79.150 41.200 1.00 0.00 C ATOM 1319 O ILE A 81 89.660 78.410 41.610 1.00 0.00 O ATOM 1320 CB ILE A 81 87.750 79.370 43.600 1.00 0.00 C ATOM 1321 CG1 ILE A 81 88.980 80.050 44.220 1.00 0.00 C ATOM 1322 CG2 ILE A 81 87.710 77.870 43.820 1.00 0.00 C ATOM 1323 CD1 ILE A 81 89.110 80.060 45.720 1.00 0.00 C ATOM 0 H ILE A 81 85.504 79.888 41.918 1.00 0.00 H new ATOM 0 HA ILE A 81 87.652 80.747 41.968 1.00 0.00 H new ATOM 0 HB ILE A 81 86.911 79.812 44.138 1.00 0.00 H new ATOM 0 HG12 ILE A 81 89.868 79.566 43.813 1.00 0.00 H new ATOM 0 HG13 ILE A 81 88.995 81.085 43.878 1.00 0.00 H new ATOM 0 HG21 ILE A 81 87.832 77.655 44.882 1.00 0.00 H new ATOM 0 HG22 ILE A 81 86.752 77.477 43.478 1.00 0.00 H new ATOM 0 HG23 ILE A 81 88.517 77.398 43.259 1.00 0.00 H new ATOM 0 HD11 ILE A 81 90.028 80.575 46.002 1.00 0.00 H new ATOM 0 HD12 ILE A 81 88.255 80.577 46.156 1.00 0.00 H new ATOM 0 HD13 ILE A 81 89.141 79.035 46.089 1.00 0.00 H new ATOM 1335 N ILE A 82 88.710 79.520 39.940 1.00 0.00 N ATOM 1336 CA ILE A 82 89.750 79.310 38.880 1.00 0.00 C ATOM 1337 C ILE A 82 91.240 79.720 39.130 1.00 0.00 C ATOM 1338 O ILE A 82 92.080 79.370 38.290 1.00 0.00 O ATOM 1339 CB ILE A 82 89.210 79.970 37.610 1.00 0.00 C ATOM 1340 CG1 ILE A 82 90.060 79.650 36.360 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.220 81.470 37.780 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.460 80.010 35.030 1.00 0.00 C ATOM 1343 OXT ILE A 82 91.600 80.500 40.050 1.00 0.00 O ATOM 0 H ILE A 82 87.899 80.016 39.570 1.00 0.00 H new ATOM 0 HA ILE A 82 89.873 78.228 38.833 1.00 0.00 H new ATOM 0 HB ILE A 82 88.204 79.577 37.462 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.014 80.168 36.455 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.276 78.582 36.359 1.00 0.00 H new ATOM 0 HG21 ILE A 82 88.835 81.941 36.876 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.592 81.744 38.627 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.240 81.809 37.960 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.151 79.736 34.233 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.521 79.472 34.897 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.271 81.083 34.994 1.00 0.00 H new TER 1355 ILE A 82