USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HD1:sc= -0.524 X(o=-0.53,f=-0.32) USER MOD Set 1.2: A 47 MET CE :methyl 165:sc=-0.00733 (180deg=-0.271) USER MOD Set 2.1: A 34 SER OG : rot 172:sc= 0.365 USER MOD Set 2.2: A 77 TYR OH : rot 30:sc= 0.349 USER MOD Single : A 1 SER N :NH3+ 163:sc= 0 (180deg=-0.268) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -5.44! K(o=-5.4!,f=-3.5) USER MOD Single : A 3 MET CE :methyl 166:sc= 0 (180deg=-0.207) 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= -1.5 K(o=-1.5,f=-3.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-1.6!) USER MOD Single : A 29 SER OG : rot -37:sc= 0.524 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 -82:sc= 0.732 USER MOD Single : A 42 ASN : amide:sc= -0.0834 K(o=-0.083,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= -0.359 (180deg=-0.426) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -121:sc= -1.97 (180deg=-3.28!) USER MOD Single : A 59 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.24) USER MOD Single : A 60 THR OG1 : rot 28:sc= 0.277 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 90:sc= -1.21 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.261 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -7.21! C(o=-7.2!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 76.360 61.460 42.520 1.00 0.00 N ATOM 2 CA SER A 1 75.900 61.540 41.140 1.00 0.00 C ATOM 3 C SER A 1 76.320 62.890 40.630 1.00 0.00 C ATOM 4 O SER A 1 75.570 63.550 39.910 1.00 0.00 O ATOM 5 CB SER A 1 74.390 61.370 41.050 1.00 0.00 C ATOM 6 OG SER A 1 73.790 62.400 41.800 1.00 0.00 O ATOM 0 H1 SER A 1 75.861 60.689 43.008 1.00 0.00 H new ATOM 0 H2 SER A 1 77.383 61.274 42.535 1.00 0.00 H new ATOM 0 H3 SER A 1 76.165 62.360 43.004 1.00 0.00 H new ATOM 0 HA SER A 1 76.334 60.740 40.540 1.00 0.00 H new ATOM 0 HB2 SER A 1 74.063 61.415 40.011 1.00 0.00 H new ATOM 0 HB3 SER A 1 74.093 60.395 41.436 1.00 0.00 H new ATOM 0 HG SER A 1 72.815 62.312 41.755 1.00 0.00 H new ATOM 14 N HIS A 2 77.600 63.230 40.850 1.00 0.00 N ATOM 15 CA HIS A 2 78.170 64.420 40.260 1.00 0.00 C ATOM 16 C HIS A 2 79.230 64.090 39.220 1.00 0.00 C ATOM 17 O HIS A 2 80.230 63.430 39.480 1.00 0.00 O ATOM 18 CB HIS A 2 78.730 65.300 41.350 1.00 0.00 C ATOM 19 CG HIS A 2 79.190 66.610 40.790 1.00 0.00 C ATOM 20 ND1 HIS A 2 78.330 67.620 40.470 1.00 0.00 N ATOM 21 CD2 HIS A 2 80.440 66.950 40.410 1.00 0.00 C ATOM 22 CE1 HIS A 2 79.090 68.640 40.070 1.00 0.00 C ATOM 23 NE2 HIS A 2 80.380 68.250 39.960 1.00 0.00 N ATOM 0 H HIS A 2 78.244 62.693 41.430 1.00 0.00 H new ATOM 0 HA HIS A 2 77.379 64.956 39.735 1.00 0.00 H new ATOM 0 HB2 HIS A 2 77.970 65.472 42.112 1.00 0.00 H new ATOM 0 HB3 HIS A 2 79.563 64.795 41.839 1.00 0.00 H new ATOM 0 HD2 HIS A 2 81.318 66.323 40.451 1.00 0.00 H new ATOM 0 HE1 HIS A 2 78.727 69.636 39.863 1.00 0.00 H new ATOM 0 HE2 HIS A 2 81.158 68.810 39.611 1.00 0.00 H new ATOM 31 N MET A 3 78.920 64.540 38.010 1.00 0.00 N ATOM 32 CA MET A 3 79.760 64.410 36.830 1.00 0.00 C ATOM 33 C MET A 3 80.100 65.740 36.210 1.00 0.00 C ATOM 34 O MET A 3 80.210 65.840 35.000 1.00 0.00 O ATOM 35 CB MET A 3 79.070 63.510 35.810 1.00 0.00 C ATOM 36 CG MET A 3 79.040 62.080 36.300 1.00 0.00 C ATOM 37 SD MET A 3 78.210 60.940 35.190 1.00 0.00 S ATOM 38 CE MET A 3 79.470 60.870 33.890 1.00 0.00 C ATOM 0 H MET A 3 78.043 65.024 37.819 1.00 0.00 H new ATOM 0 HA MET A 3 80.702 63.962 37.145 1.00 0.00 H new ATOM 0 HB2 MET A 3 78.053 63.862 35.635 1.00 0.00 H new ATOM 0 HB3 MET A 3 79.595 63.563 34.856 1.00 0.00 H new ATOM 0 HG2 MET A 3 80.064 61.739 36.454 1.00 0.00 H new ATOM 0 HG3 MET A 3 78.544 62.050 37.270 1.00 0.00 H new ATOM 0 HE1 MET A 3 79.263 60.030 33.227 1.00 0.00 H new ATOM 0 HE2 MET A 3 79.453 61.797 33.317 1.00 0.00 H new ATOM 0 HE3 MET A 3 80.453 60.741 34.343 1.00 0.00 H new ATOM 48 N LYS A 4 80.250 66.790 37.020 1.00 0.00 N ATOM 49 CA LYS A 4 80.500 68.130 36.490 1.00 0.00 C ATOM 50 C LYS A 4 79.400 68.600 35.530 1.00 0.00 C ATOM 51 O LYS A 4 79.640 69.400 34.650 1.00 0.00 O ATOM 52 CB LYS A 4 81.840 68.180 35.770 1.00 0.00 C ATOM 53 CG LYS A 4 83.000 67.930 36.710 1.00 0.00 C ATOM 54 CD LYS A 4 84.310 67.980 35.940 1.00 0.00 C ATOM 55 CE LYS A 4 85.450 67.740 36.900 1.00 0.00 C ATOM 56 NZ LYS A 4 86.730 67.980 36.240 1.00 0.00 N ATOM 0 H LYS A 4 80.203 66.739 38.038 1.00 0.00 H new ATOM 0 HA LYS A 4 80.509 68.802 37.348 1.00 0.00 H new ATOM 0 HB2 LYS A 4 81.852 67.435 34.974 1.00 0.00 H new ATOM 0 HB3 LYS A 4 81.961 69.154 35.297 1.00 0.00 H new ATOM 0 HG2 LYS A 4 83.005 68.678 37.502 1.00 0.00 H new ATOM 0 HG3 LYS A 4 82.887 66.958 37.190 1.00 0.00 H new ATOM 0 HD2 LYS A 4 84.314 67.225 35.153 1.00 0.00 H new ATOM 0 HD3 LYS A 4 84.425 68.948 35.453 1.00 0.00 H new ATOM 0 HE2 LYS A 4 85.350 68.397 37.764 1.00 0.00 H new ATOM 0 HE3 LYS A 4 85.412 66.716 37.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 87.505 67.811 36.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 86.829 67.336 35.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 86.770 68.964 35.907 1.00 0.00 H new ATOM 70 N LEU A 5 78.210 68.020 35.630 1.00 0.00 N ATOM 71 CA LEU A 5 77.080 68.400 34.810 1.00 0.00 C ATOM 72 C LEU A 5 75.980 68.750 35.780 1.00 0.00 C ATOM 73 O LEU A 5 75.920 68.110 36.810 1.00 0.00 O ATOM 74 CB LEU A 5 76.700 67.280 33.810 1.00 0.00 C ATOM 75 CG LEU A 5 77.760 66.820 32.840 1.00 0.00 C ATOM 76 CD1 LEU A 5 77.340 65.530 32.140 1.00 0.00 C ATOM 77 CD2 LEU A 5 77.990 67.880 31.820 1.00 0.00 C ATOM 0 H LEU A 5 78.007 67.268 36.289 1.00 0.00 H new ATOM 0 HA LEU A 5 77.300 69.255 34.170 1.00 0.00 H new ATOM 0 HB2 LEU A 5 76.372 66.414 34.385 1.00 0.00 H new ATOM 0 HB3 LEU A 5 75.842 67.623 33.232 1.00 0.00 H new ATOM 0 HG LEU A 5 78.677 66.629 33.398 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.122 65.221 31.447 1.00 0.00 H new ATOM 0 HD12 LEU A 5 77.183 64.748 32.882 1.00 0.00 H new ATOM 0 HD13 LEU A 5 76.414 65.699 31.590 1.00 0.00 H new ATOM 0 HD21 LEU A 5 78.756 67.550 31.118 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.063 68.073 31.281 1.00 0.00 H new ATOM 0 HD23 LEU A 5 78.320 68.794 32.313 1.00 0.00 H new ATOM 89 N VAL A 6 75.110 69.670 35.390 1.00 0.00 N ATOM 90 CA VAL A 6 73.800 69.880 36.000 1.00 0.00 C ATOM 91 C VAL A 6 72.770 69.750 34.910 1.00 0.00 C ATOM 92 O VAL A 6 72.990 70.180 33.790 1.00 0.00 O ATOM 93 CB VAL A 6 73.700 71.270 36.640 1.00 0.00 C ATOM 94 CG1 VAL A 6 72.280 71.520 37.160 1.00 0.00 C ATOM 95 CG2 VAL A 6 74.670 71.410 37.790 1.00 0.00 C ATOM 0 H VAL A 6 75.299 70.310 34.619 1.00 0.00 H new ATOM 0 HA VAL A 6 73.639 69.144 36.788 1.00 0.00 H new ATOM 0 HB VAL A 6 73.947 72.002 35.871 1.00 0.00 H new ATOM 0 HG11 VAL A 6 72.227 72.511 37.611 1.00 0.00 H new ATOM 0 HG12 VAL A 6 71.574 71.460 36.332 1.00 0.00 H new ATOM 0 HG13 VAL A 6 72.028 70.767 37.907 1.00 0.00 H new ATOM 0 HG21 VAL A 6 74.577 72.405 38.225 1.00 0.00 H new ATOM 0 HG22 VAL A 6 74.446 70.660 38.549 1.00 0.00 H new ATOM 0 HG23 VAL A 6 75.688 71.266 37.427 1.00 0.00 H new ATOM 105 N LEU A 7 71.610 69.190 35.240 1.00 0.00 N ATOM 106 CA LEU A 7 70.490 69.110 34.310 1.00 0.00 C ATOM 107 C LEU A 7 69.400 70.050 34.740 1.00 0.00 C ATOM 108 O LEU A 7 69.150 70.290 35.920 1.00 0.00 O ATOM 109 CB LEU A 7 69.940 67.680 34.220 1.00 0.00 C ATOM 110 CG LEU A 7 70.950 66.670 33.770 1.00 0.00 C ATOM 111 CD1 LEU A 7 70.390 65.240 33.830 1.00 0.00 C ATOM 112 CD2 LEU A 7 71.310 67.000 32.350 1.00 0.00 C ATOM 0 H LEU A 7 71.421 68.781 36.155 1.00 0.00 H new ATOM 0 HA LEU A 7 70.850 69.397 33.322 1.00 0.00 H new ATOM 0 HB2 LEU A 7 69.557 67.386 35.197 1.00 0.00 H new ATOM 0 HB3 LEU A 7 69.096 67.668 33.530 1.00 0.00 H new ATOM 0 HG LEU A 7 71.818 66.709 34.428 1.00 0.00 H new ATOM 0 HD11 LEU A 7 71.152 64.536 33.496 1.00 0.00 H new ATOM 0 HD12 LEU A 7 70.103 65.004 34.855 1.00 0.00 H new ATOM 0 HD13 LEU A 7 69.517 65.164 33.182 1.00 0.00 H new ATOM 0 HD21 LEU A 7 72.046 66.284 31.985 1.00 0.00 H new ATOM 0 HD22 LEU A 7 70.417 66.951 31.727 1.00 0.00 H new ATOM 0 HD23 LEU A 7 71.729 68.005 32.305 1.00 0.00 H new ATOM 124 N ALA A 8 68.690 70.560 33.750 1.00 0.00 N ATOM 125 CA ALA A 8 67.440 71.260 33.910 1.00 0.00 C ATOM 126 C ALA A 8 66.350 70.350 34.480 1.00 0.00 C ATOM 127 O ALA A 8 66.340 69.160 34.270 1.00 0.00 O ATOM 128 CB ALA A 8 67.080 71.770 32.530 1.00 0.00 C ATOM 0 H ALA A 8 68.985 70.492 32.776 1.00 0.00 H new ATOM 0 HA ALA A 8 67.531 72.078 34.625 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.137 72.314 32.578 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.865 72.436 32.172 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.979 70.928 31.846 1.00 0.00 H new ATOM 134 N LYS A 9 65.310 70.900 35.080 1.00 0.00 N ATOM 135 CA LYS A 9 64.130 70.110 35.380 1.00 0.00 C ATOM 136 C LYS A 9 63.150 70.040 34.240 1.00 0.00 C ATOM 137 O LYS A 9 62.450 69.060 34.200 1.00 0.00 O ATOM 138 CB LYS A 9 63.470 70.550 36.670 1.00 0.00 C ATOM 139 CG LYS A 9 63.020 72.010 36.640 1.00 0.00 C ATOM 140 CD LYS A 9 64.180 72.990 36.910 1.00 0.00 C ATOM 141 CE LYS A 9 63.730 74.420 36.900 1.00 0.00 C ATOM 142 NZ LYS A 9 64.930 75.260 37.140 1.00 0.00 N ATOM 0 H LYS A 9 65.258 71.878 35.366 1.00 0.00 H new ATOM 0 HA LYS A 9 64.485 69.090 35.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 62.607 69.913 36.866 1.00 0.00 H new ATOM 0 HB3 LYS A 9 64.167 70.407 37.496 1.00 0.00 H new ATOM 0 HG2 LYS A 9 62.580 72.232 35.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 62.239 72.162 37.385 1.00 0.00 H new ATOM 0 HD2 LYS A 9 64.630 72.760 37.876 1.00 0.00 H new ATOM 0 HD3 LYS A 9 64.954 72.850 36.156 1.00 0.00 H new ATOM 0 HE2 LYS A 9 63.269 74.672 35.945 1.00 0.00 H new ATOM 0 HE3 LYS A 9 62.979 74.592 37.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.657 76.264 37.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 65.347 75.015 38.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.628 75.091 36.388 1.00 0.00 H new ATOM 156 N ASN A 10 63.050 70.980 33.300 1.00 0.00 N ATOM 157 CA ASN A 10 61.800 71.180 32.560 1.00 0.00 C ATOM 158 C ASN A 10 61.450 69.980 31.710 1.00 0.00 C ATOM 159 O ASN A 10 60.280 69.620 31.670 1.00 0.00 O ATOM 160 CB ASN A 10 61.900 72.430 31.700 1.00 0.00 C ATOM 161 CG ASN A 10 61.960 73.700 32.520 1.00 0.00 C ATOM 162 OD1 ASN A 10 61.930 73.700 33.720 1.00 0.00 O ATOM 163 ND2 ASN A 10 62.140 74.840 31.920 1.00 0.00 N ATOM 0 H ASN A 10 63.808 71.609 33.034 1.00 0.00 H new ATOM 0 HA ASN A 10 60.998 71.306 33.288 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.790 72.365 31.073 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.041 72.475 31.030 1.00 0.00 H new ATOM 0 HD21 ASN A 10 62.250 75.693 32.468 1.00 0.00 H new ATOM 0 HD22 ASN A 10 62.171 74.881 30.901 1.00 0.00 H new ATOM 170 N THR A 11 62.440 69.350 31.090 1.00 0.00 N ATOM 171 CA THR A 11 62.150 68.350 30.070 1.00 0.00 C ATOM 172 C THR A 11 62.330 66.940 30.550 1.00 0.00 C ATOM 173 O THR A 11 61.640 66.080 30.040 1.00 0.00 O ATOM 174 CB THR A 11 63.010 68.570 28.840 1.00 0.00 C ATOM 175 OG1 THR A 11 64.320 68.630 29.270 1.00 0.00 O ATOM 176 CG2 THR A 11 62.730 69.920 28.210 1.00 0.00 C ATOM 0 H THR A 11 63.431 69.509 31.270 1.00 0.00 H new ATOM 0 HA THR A 11 61.097 68.479 29.822 1.00 0.00 H new ATOM 0 HB THR A 11 62.810 67.772 28.125 1.00 0.00 H new ATOM 0 HG1 THR A 11 64.911 68.770 28.501 1.00 0.00 H new ATOM 0 HG21 THR A 11 63.361 70.049 27.331 1.00 0.00 H new ATOM 0 HG22 THR A 11 61.682 69.974 27.915 1.00 0.00 H new ATOM 0 HG23 THR A 11 62.945 70.709 28.930 1.00 0.00 H new ATOM 184 N ARG A 12 63.230 66.660 31.510 1.00 0.00 N ATOM 185 CA ARG A 12 63.400 65.270 31.940 1.00 0.00 C ATOM 186 C ARG A 12 62.710 64.970 33.250 1.00 0.00 C ATOM 187 O ARG A 12 62.040 63.950 33.360 1.00 0.00 O ATOM 188 CB ARG A 12 64.870 64.930 32.020 1.00 0.00 C ATOM 189 CG ARG A 12 65.510 64.980 30.660 1.00 0.00 C ATOM 190 CD ARG A 12 67.020 64.760 30.750 1.00 0.00 C ATOM 191 NE ARG A 12 67.700 64.960 29.460 1.00 0.00 N ATOM 192 CZ ARG A 12 68.990 64.800 29.240 1.00 0.00 C ATOM 193 NH1 ARG A 12 69.760 64.470 30.220 1.00 0.00 N ATOM 194 NH2 ARG A 12 69.480 64.960 28.060 1.00 0.00 N ATOM 0 H ARG A 12 63.823 67.344 31.981 1.00 0.00 H new ATOM 0 HA ARG A 12 62.921 64.641 31.190 1.00 0.00 H new ATOM 0 HB2 ARG A 12 65.373 65.629 32.688 1.00 0.00 H new ATOM 0 HB3 ARG A 12 64.994 63.935 32.448 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.067 64.218 30.019 1.00 0.00 H new ATOM 0 HG3 ARG A 12 65.308 65.945 30.195 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.440 65.444 31.487 1.00 0.00 H new ATOM 0 HD3 ARG A 12 67.215 63.749 31.106 1.00 0.00 H new ATOM 0 HE ARG A 12 67.124 65.247 28.669 1.00 0.00 H new ATOM 0 HH11 ARG A 12 69.369 64.336 31.153 1.00 0.00 H new ATOM 0 HH12 ARG A 12 70.760 64.343 30.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 68.868 65.213 27.284 1.00 0.00 H new ATOM 0 HH22 ARG A 12 70.480 64.834 27.901 1.00 0.00 H new ATOM 208 N LYS A 13 62.810 65.890 34.210 1.00 0.00 N ATOM 209 CA LYS A 13 62.190 65.810 35.540 1.00 0.00 C ATOM 210 C LYS A 13 62.430 64.440 36.230 1.00 0.00 C ATOM 211 O LYS A 13 61.450 63.840 36.660 1.00 0.00 O ATOM 212 CB LYS A 13 60.680 66.130 35.440 1.00 0.00 C ATOM 213 CG LYS A 13 60.360 67.520 34.950 1.00 0.00 C ATOM 214 CD LYS A 13 58.880 67.720 34.760 1.00 0.00 C ATOM 215 CE LYS A 13 58.570 69.140 34.330 1.00 0.00 C ATOM 216 NZ LYS A 13 57.130 69.480 34.410 1.00 0.00 N ATOM 0 H LYS A 13 63.346 66.748 34.080 1.00 0.00 H new ATOM 0 HA LYS A 13 62.671 66.557 36.172 1.00 0.00 H new ATOM 0 HB2 LYS A 13 60.213 65.407 34.771 1.00 0.00 H new ATOM 0 HB3 LYS A 13 60.228 65.993 36.422 1.00 0.00 H new ATOM 0 HG2 LYS A 13 60.737 68.253 35.664 1.00 0.00 H new ATOM 0 HG3 LYS A 13 60.875 67.700 34.006 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.509 67.021 34.010 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.358 67.497 35.690 1.00 0.00 H new ATOM 0 HE2 LYS A 13 59.134 69.832 34.955 1.00 0.00 H new ATOM 0 HE3 LYS A 13 58.913 69.284 33.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.988 70.463 34.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.588 68.842 33.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.802 69.373 35.391 1.00 0.00 H new ATOM 230 N SER A 14 63.650 63.890 36.280 1.00 0.00 N ATOM 231 CA SER A 14 63.800 62.650 37.080 1.00 0.00 C ATOM 232 C SER A 14 63.980 62.910 38.580 1.00 0.00 C ATOM 233 O SER A 14 63.110 62.540 39.350 1.00 0.00 O ATOM 234 CB SER A 14 64.890 61.760 36.510 1.00 0.00 C ATOM 235 OG SER A 14 66.150 62.350 36.730 1.00 0.00 O ATOM 0 H SER A 14 64.490 64.241 35.820 1.00 0.00 H new ATOM 0 HA SER A 14 62.856 62.111 36.998 1.00 0.00 H new ATOM 0 HB2 SER A 14 64.852 60.777 36.979 1.00 0.00 H new ATOM 0 HB3 SER A 14 64.729 61.611 35.442 1.00 0.00 H new ATOM 0 HG SER A 14 66.851 61.772 36.362 1.00 0.00 H new ATOM 241 N ASP A 15 64.990 63.700 38.940 1.00 0.00 N ATOM 242 CA ASP A 15 65.070 64.490 40.180 1.00 0.00 C ATOM 243 C ASP A 15 65.940 65.760 40.040 1.00 0.00 C ATOM 244 O ASP A 15 66.170 66.490 41.000 1.00 0.00 O ATOM 245 CB ASP A 15 65.650 63.630 41.310 1.00 0.00 C ATOM 246 CG ASP A 15 67.080 63.140 40.980 1.00 0.00 C ATOM 247 OD1 ASP A 15 67.540 63.330 39.820 1.00 0.00 O ATOM 248 OD2 ASP A 15 67.720 62.550 41.850 1.00 0.00 O ATOM 0 H ASP A 15 65.816 63.816 38.352 1.00 0.00 H new ATOM 0 HA ASP A 15 64.052 64.807 40.405 1.00 0.00 H new ATOM 0 HB2 ASP A 15 65.667 64.207 42.234 1.00 0.00 H new ATOM 0 HB3 ASP A 15 65.002 62.771 41.483 1.00 0.00 H new ATOM 253 N ALA A 16 66.390 66.050 38.820 1.00 0.00 N ATOM 254 CA ALA A 16 67.520 66.920 38.520 1.00 0.00 C ATOM 255 C ALA A 16 67.010 68.360 38.430 1.00 0.00 C ATOM 256 O ALA A 16 66.930 69.010 37.390 1.00 0.00 O ATOM 257 CB ALA A 16 68.280 66.470 37.270 1.00 0.00 C ATOM 0 H ALA A 16 65.957 65.667 37.980 1.00 0.00 H new ATOM 0 HA ALA A 16 68.254 66.860 39.323 1.00 0.00 H new ATOM 0 HB1 ALA A 16 69.113 67.149 37.087 1.00 0.00 H new ATOM 0 HB2 ALA A 16 68.661 65.460 37.420 1.00 0.00 H new ATOM 0 HB3 ALA A 16 67.608 66.481 36.412 1.00 0.00 H new ATOM 263 N LYS A 17 66.580 68.850 39.580 1.00 0.00 N ATOM 264 CA LYS A 17 66.060 70.180 39.790 1.00 0.00 C ATOM 265 C LYS A 17 66.830 70.770 40.960 1.00 0.00 C ATOM 266 O LYS A 17 67.020 70.110 41.960 1.00 0.00 O ATOM 267 CB LYS A 17 64.560 70.100 40.110 1.00 0.00 C ATOM 268 CG LYS A 17 63.980 71.510 40.280 1.00 0.00 C ATOM 269 CD LYS A 17 62.510 71.490 40.560 1.00 0.00 C ATOM 270 CE LYS A 17 61.910 72.870 40.610 1.00 0.00 C ATOM 271 NZ LYS A 17 60.500 72.780 40.980 1.00 0.00 N ATOM 0 H LYS A 17 66.587 68.296 40.436 1.00 0.00 H new ATOM 0 HA LYS A 17 66.177 70.803 38.903 1.00 0.00 H new ATOM 0 HB2 LYS A 17 64.037 69.578 39.309 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.405 69.523 41.021 1.00 0.00 H new ATOM 0 HG2 LYS A 17 64.496 72.017 41.096 1.00 0.00 H new ATOM 0 HG3 LYS A 17 64.167 72.089 39.376 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.005 70.906 39.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.332 70.986 41.510 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.447 73.485 41.332 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.011 73.357 39.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.088 73.734 41.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 59.992 72.209 40.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 60.414 72.333 41.915 1.00 0.00 H new ATOM 285 N SER A 18 67.210 72.040 40.830 1.00 0.00 N ATOM 286 CA SER A 18 67.830 72.840 41.920 1.00 0.00 C ATOM 287 C SER A 18 69.170 72.350 42.380 1.00 0.00 C ATOM 288 O SER A 18 69.680 72.780 43.410 1.00 0.00 O ATOM 289 CB SER A 18 66.910 72.910 43.120 1.00 0.00 C ATOM 290 OG SER A 18 65.810 73.520 42.620 1.00 0.00 O ATOM 0 H SER A 18 67.101 72.561 39.960 1.00 0.00 H new ATOM 0 HA SER A 18 67.987 73.824 41.479 1.00 0.00 H new ATOM 0 HB2 SER A 18 66.680 71.919 43.512 1.00 0.00 H new ATOM 0 HB3 SER A 18 67.353 73.481 43.936 1.00 0.00 H new ATOM 0 HG SER A 18 65.139 73.615 43.327 1.00 0.00 H new ATOM 296 N VAL A 19 69.730 71.470 41.570 1.00 0.00 N ATOM 297 CA VAL A 19 71.010 70.860 41.750 1.00 0.00 C ATOM 298 C VAL A 19 72.120 71.850 41.650 1.00 0.00 C ATOM 299 O VAL A 19 73.020 71.770 42.460 1.00 0.00 O ATOM 300 CB VAL A 19 71.180 69.810 40.670 1.00 0.00 C ATOM 301 CG1 VAL A 19 72.590 69.300 40.680 1.00 0.00 C ATOM 302 CG2 VAL A 19 70.210 68.660 40.880 1.00 0.00 C ATOM 0 H VAL A 19 69.264 71.151 40.720 1.00 0.00 H new ATOM 0 HA VAL A 19 71.053 70.422 42.747 1.00 0.00 H new ATOM 0 HB VAL A 19 70.966 70.266 39.703 1.00 0.00 H new ATOM 0 HG11 VAL A 19 72.709 68.545 39.903 1.00 0.00 H new ATOM 0 HG12 VAL A 19 73.277 70.125 40.493 1.00 0.00 H new ATOM 0 HG13 VAL A 19 72.810 68.858 41.652 1.00 0.00 H new ATOM 0 HG21 VAL A 19 70.349 67.918 40.094 1.00 0.00 H new ATOM 0 HG22 VAL A 19 70.396 68.200 41.850 1.00 0.00 H new ATOM 0 HG23 VAL A 19 69.187 69.036 40.847 1.00 0.00 H new ATOM 312 N GLU A 20 72.050 72.790 40.710 1.00 0.00 N ATOM 313 CA GLU A 20 73.160 73.720 40.550 1.00 0.00 C ATOM 314 C GLU A 20 73.300 74.480 41.840 1.00 0.00 C ATOM 315 O GLU A 20 74.380 74.570 42.370 1.00 0.00 O ATOM 316 CB GLU A 20 72.870 74.680 39.430 1.00 0.00 C ATOM 317 CG GLU A 20 74.040 75.580 39.140 1.00 0.00 C ATOM 318 CD GLU A 20 75.270 74.890 38.570 1.00 0.00 C ATOM 319 OE1 GLU A 20 75.010 74.060 37.700 1.00 0.00 O ATOM 320 OE2 GLU A 20 76.400 75.170 38.990 1.00 0.00 O ATOM 0 H GLU A 20 71.267 72.925 40.070 1.00 0.00 H new ATOM 0 HA GLU A 20 74.078 73.182 40.313 1.00 0.00 H new ATOM 0 HB2 GLU A 20 72.612 74.120 38.531 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.002 75.286 39.688 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.719 76.350 38.439 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.324 76.087 40.062 1.00 0.00 H new ATOM 327 N LEU A 21 72.200 74.940 42.460 1.00 0.00 N ATOM 328 CA LEU A 21 72.330 75.810 43.630 1.00 0.00 C ATOM 329 C LEU A 21 73.150 75.190 44.760 1.00 0.00 C ATOM 330 O LEU A 21 74.010 75.820 45.370 1.00 0.00 O ATOM 331 CB LEU A 21 70.970 76.280 44.120 1.00 0.00 C ATOM 332 CG LEU A 21 70.200 77.120 43.090 1.00 0.00 C ATOM 333 CD1 LEU A 21 68.890 77.610 43.690 1.00 0.00 C ATOM 334 CD2 LEU A 21 70.990 78.350 42.650 1.00 0.00 C ATOM 0 H LEU A 21 71.242 74.730 42.179 1.00 0.00 H new ATOM 0 HA LEU A 21 72.894 76.682 43.298 1.00 0.00 H new ATOM 0 HB2 LEU A 21 70.370 75.411 44.389 1.00 0.00 H new ATOM 0 HB3 LEU A 21 71.104 76.868 45.028 1.00 0.00 H new ATOM 0 HG LEU A 21 70.025 76.476 42.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.352 78.205 42.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.281 76.754 43.981 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.098 78.223 44.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.408 78.915 41.922 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.196 78.979 43.516 1.00 0.00 H new ATOM 0 HD23 LEU A 21 71.931 78.036 42.198 1.00 0.00 H new ATOM 346 N GLU A 22 72.770 73.970 45.040 1.00 0.00 N ATOM 347 CA GLU A 22 73.480 73.050 45.900 1.00 0.00 C ATOM 348 C GLU A 22 74.840 72.570 45.440 1.00 0.00 C ATOM 349 O GLU A 22 75.730 72.520 46.290 1.00 0.00 O ATOM 350 CB GLU A 22 72.550 71.870 46.050 1.00 0.00 C ATOM 351 CG GLU A 22 71.360 72.250 46.960 1.00 0.00 C ATOM 352 CD GLU A 22 70.450 71.040 47.160 1.00 0.00 C ATOM 353 OE1 GLU A 22 70.690 70.040 46.470 1.00 0.00 O ATOM 354 OE2 GLU A 22 69.430 71.130 47.870 1.00 0.00 O ATOM 0 H GLU A 22 71.914 73.568 44.657 1.00 0.00 H new ATOM 0 HA GLU A 22 73.720 73.582 46.820 1.00 0.00 H new ATOM 0 HB2 GLU A 22 72.185 71.557 45.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 73.089 71.023 46.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 71.727 72.603 47.924 1.00 0.00 H new ATOM 0 HG3 GLU A 22 70.797 73.069 46.513 1.00 0.00 H new ATOM 361 N ASP A 23 75.060 72.290 44.160 1.00 0.00 N ATOM 362 CA ASP A 23 76.390 71.900 43.740 1.00 0.00 C ATOM 363 C ASP A 23 77.300 73.070 43.850 1.00 0.00 C ATOM 364 O ASP A 23 78.430 72.890 44.240 1.00 0.00 O ATOM 365 CB ASP A 23 76.440 71.380 42.320 1.00 0.00 C ATOM 366 CG ASP A 23 75.820 69.990 42.300 1.00 0.00 C ATOM 367 OD1 ASP A 23 75.300 69.470 43.340 1.00 0.00 O ATOM 368 OD2 ASP A 23 75.790 69.430 41.210 1.00 0.00 O ATOM 0 H ASP A 23 74.358 72.325 43.421 1.00 0.00 H new ATOM 0 HA ASP A 23 76.702 71.087 44.395 1.00 0.00 H new ATOM 0 HB2 ASP A 23 75.897 72.048 41.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 77.470 71.342 41.965 1.00 0.00 H new ATOM 373 N LEU A 24 76.810 74.290 43.650 1.00 0.00 N ATOM 374 CA LEU A 24 77.670 75.440 43.730 1.00 0.00 C ATOM 375 C LEU A 24 78.410 75.420 45.060 1.00 0.00 C ATOM 376 O LEU A 24 79.640 75.390 45.090 1.00 0.00 O ATOM 377 CB LEU A 24 76.860 76.730 43.630 1.00 0.00 C ATOM 378 CG LEU A 24 76.190 76.980 42.290 1.00 0.00 C ATOM 379 CD1 LEU A 24 75.080 78.000 42.370 1.00 0.00 C ATOM 380 CD2 LEU A 24 77.100 77.540 41.280 1.00 0.00 C ATOM 0 H LEU A 24 75.834 74.495 43.435 1.00 0.00 H new ATOM 0 HA LEU A 24 78.377 75.404 42.901 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.092 76.717 44.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 77.519 77.570 43.849 1.00 0.00 H new ATOM 0 HG LEU A 24 75.829 75.989 42.014 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.639 78.136 41.382 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.315 77.651 43.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.483 78.950 42.722 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.558 77.694 40.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.493 78.493 41.633 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.925 76.848 41.110 1.00 0.00 H new ATOM 392 N TYR A 25 77.650 75.390 46.160 1.00 0.00 N ATOM 393 CA TYR A 25 78.250 75.480 47.480 1.00 0.00 C ATOM 394 C TYR A 25 79.160 74.270 47.760 1.00 0.00 C ATOM 395 O TYR A 25 80.280 74.380 48.280 1.00 0.00 O ATOM 396 CB TYR A 25 77.180 75.580 48.580 1.00 0.00 C ATOM 397 CG TYR A 25 77.780 75.640 49.980 1.00 0.00 C ATOM 398 CD1 TYR A 25 78.070 74.450 50.680 1.00 0.00 C ATOM 399 CD2 TYR A 25 78.090 76.870 50.570 1.00 0.00 C ATOM 400 CE1 TYR A 25 78.620 74.500 51.980 1.00 0.00 C ATOM 401 CE2 TYR A 25 78.660 76.920 51.870 1.00 0.00 C ATOM 402 CZ TYR A 25 78.850 75.730 52.610 1.00 0.00 C ATOM 403 OH TYR A 25 79.240 75.730 53.920 1.00 0.00 O ATOM 0 H TYR A 25 76.634 75.305 46.156 1.00 0.00 H new ATOM 0 HA TYR A 25 78.851 76.389 47.493 1.00 0.00 H new ATOM 0 HB2 TYR A 25 76.573 76.469 48.411 1.00 0.00 H new ATOM 0 HB3 TYR A 25 76.513 74.721 48.512 1.00 0.00 H new ATOM 0 HD1 TYR A 25 77.870 73.494 50.219 1.00 0.00 H new ATOM 0 HD2 TYR A 25 77.895 77.787 50.034 1.00 0.00 H new ATOM 0 HE1 TYR A 25 78.865 73.582 52.493 1.00 0.00 H new ATOM 0 HE2 TYR A 25 78.949 77.870 52.295 1.00 0.00 H new ATOM 0 HH TYR A 25 79.364 76.653 54.225 1.00 0.00 H new ATOM 413 N HIS A 26 78.600 73.100 47.520 1.00 0.00 N ATOM 414 CA HIS A 26 79.250 71.840 47.870 1.00 0.00 C ATOM 415 C HIS A 26 80.480 71.600 47.030 1.00 0.00 C ATOM 416 O HIS A 26 81.540 71.310 47.580 1.00 0.00 O ATOM 417 CB HIS A 26 78.250 70.700 47.670 1.00 0.00 C ATOM 418 CG HIS A 26 78.880 69.360 47.950 1.00 0.00 C ATOM 419 ND1 HIS A 26 79.690 68.730 47.040 1.00 0.00 N ATOM 420 CD2 HIS A 26 78.780 68.570 49.060 1.00 0.00 C ATOM 421 CE1 HIS A 26 80.040 67.580 47.590 1.00 0.00 C ATOM 422 NE2 HIS A 26 79.540 67.460 48.830 1.00 0.00 N ATOM 0 H HIS A 26 77.687 72.990 47.079 1.00 0.00 H new ATOM 0 HA HIS A 26 79.569 71.887 48.911 1.00 0.00 H new ATOM 0 HB2 HIS A 26 77.394 70.846 48.328 1.00 0.00 H new ATOM 0 HB3 HIS A 26 77.873 70.720 46.647 1.00 0.00 H new ATOM 0 HD2 HIS A 26 78.208 68.783 49.951 1.00 0.00 H new ATOM 0 HE1 HIS A 26 80.650 66.833 47.104 1.00 0.00 H new ATOM 0 HE2 HIS A 26 79.698 66.687 49.477 1.00 0.00 H new ATOM 430 N GLU A 27 80.340 71.800 45.730 1.00 0.00 N ATOM 431 CA GLU A 27 81.420 71.570 44.800 1.00 0.00 C ATOM 432 C GLU A 27 82.520 72.540 45.150 1.00 0.00 C ATOM 433 O GLU A 27 83.650 72.120 45.200 1.00 0.00 O ATOM 434 CB GLU A 27 81.010 71.790 43.330 1.00 0.00 C ATOM 435 CG GLU A 27 80.070 70.720 42.810 1.00 0.00 C ATOM 436 CD GLU A 27 80.770 69.360 42.880 1.00 0.00 C ATOM 437 OE1 GLU A 27 81.880 69.260 42.190 1.00 0.00 O ATOM 438 OE2 GLU A 27 80.300 68.460 43.420 1.00 0.00 O ATOM 0 H GLU A 27 79.476 72.125 45.296 1.00 0.00 H new ATOM 0 HA GLU A 27 81.733 70.529 44.885 1.00 0.00 H new ATOM 0 HB2 GLU A 27 80.531 72.764 43.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 81.905 71.813 42.708 1.00 0.00 H new ATOM 0 HG2 GLU A 27 79.155 70.703 43.403 1.00 0.00 H new ATOM 0 HG3 GLU A 27 79.780 70.941 41.783 1.00 0.00 H new ATOM 445 N PHE A 28 82.160 73.790 45.480 1.00 0.00 N ATOM 446 CA PHE A 28 83.120 74.850 45.760 1.00 0.00 C ATOM 447 C PHE A 28 83.990 74.610 46.990 1.00 0.00 C ATOM 448 O PHE A 28 85.190 74.880 46.990 1.00 0.00 O ATOM 449 CB PHE A 28 82.320 76.150 45.930 1.00 0.00 C ATOM 450 CG PHE A 28 83.160 77.290 46.430 1.00 0.00 C ATOM 451 CD1 PHE A 28 83.890 78.050 45.510 1.00 0.00 C ATOM 452 CD2 PHE A 28 83.250 77.570 47.800 1.00 0.00 C ATOM 453 CE1 PHE A 28 84.670 79.090 46.010 1.00 0.00 C ATOM 454 CE2 PHE A 28 84.070 78.600 48.280 1.00 0.00 C ATOM 455 CZ PHE A 28 84.790 79.360 47.370 1.00 0.00 C ATOM 0 H PHE A 28 81.188 74.088 45.558 1.00 0.00 H new ATOM 0 HA PHE A 28 83.821 74.894 44.926 1.00 0.00 H new ATOM 0 HB2 PHE A 28 81.875 76.425 44.974 1.00 0.00 H new ATOM 0 HB3 PHE A 28 81.499 75.977 46.626 1.00 0.00 H new ATOM 0 HD1 PHE A 28 83.850 77.838 44.452 1.00 0.00 H new ATOM 0 HD2 PHE A 28 82.676 76.980 48.500 1.00 0.00 H new ATOM 0 HE1 PHE A 28 85.206 79.715 45.311 1.00 0.00 H new ATOM 0 HE2 PHE A 28 84.140 78.798 49.339 1.00 0.00 H new ATOM 0 HZ PHE A 28 85.437 80.153 47.713 1.00 0.00 H new ATOM 465 N SER A 29 83.340 74.200 48.080 1.00 0.00 N ATOM 466 CA SER A 29 83.970 73.860 49.350 1.00 0.00 C ATOM 467 C SER A 29 84.860 72.620 49.240 1.00 0.00 C ATOM 468 O SER A 29 85.950 72.610 49.800 1.00 0.00 O ATOM 469 CB SER A 29 82.880 73.650 50.400 1.00 0.00 C ATOM 470 OG SER A 29 82.160 72.450 50.190 1.00 0.00 O ATOM 0 H SER A 29 82.326 74.093 48.100 1.00 0.00 H new ATOM 0 HA SER A 29 84.620 74.684 49.645 1.00 0.00 H new ATOM 0 HB2 SER A 29 83.332 73.632 51.392 1.00 0.00 H new ATOM 0 HB3 SER A 29 82.190 74.494 50.379 1.00 0.00 H new ATOM 0 HG SER A 29 82.040 72.305 49.228 1.00 0.00 H new ATOM 476 N GLU A 30 84.380 71.570 48.560 1.00 0.00 N ATOM 477 CA GLU A 30 85.080 70.300 48.460 1.00 0.00 C ATOM 478 C GLU A 30 86.200 70.380 47.430 1.00 0.00 C ATOM 479 O GLU A 30 87.320 69.930 47.700 1.00 0.00 O ATOM 480 CB GLU A 30 84.110 69.180 48.070 1.00 0.00 C ATOM 481 CG GLU A 30 84.850 67.850 47.990 1.00 0.00 C ATOM 482 CD GLU A 30 83.900 66.720 47.660 1.00 0.00 C ATOM 483 OE1 GLU A 30 82.660 66.860 47.710 1.00 0.00 O ATOM 484 OE2 GLU A 30 84.400 65.620 47.520 1.00 0.00 O ATOM 0 H GLU A 30 83.489 71.587 48.064 1.00 0.00 H new ATOM 0 HA GLU A 30 85.510 70.079 49.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 83.305 69.114 48.802 1.00 0.00 H new ATOM 0 HB3 GLU A 30 83.648 69.406 47.109 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.629 67.908 47.230 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.345 67.648 48.940 1.00 0.00 H new ATOM 491 N ASP A 31 85.920 70.940 46.250 1.00 0.00 N ATOM 492 CA ASP A 31 86.850 70.880 45.130 1.00 0.00 C ATOM 493 C ASP A 31 86.870 72.170 44.300 1.00 0.00 C ATOM 494 O ASP A 31 85.990 73.010 44.370 1.00 0.00 O ATOM 495 CB ASP A 31 86.510 69.680 44.230 1.00 0.00 C ATOM 496 CG ASP A 31 87.700 69.200 43.410 1.00 0.00 C ATOM 497 OD1 ASP A 31 88.810 69.760 43.560 1.00 0.00 O ATOM 498 OD2 ASP A 31 87.500 68.230 42.630 1.00 0.00 O ATOM 0 H ASP A 31 85.054 71.440 46.050 1.00 0.00 H new ATOM 0 HA ASP A 31 87.848 70.760 45.552 1.00 0.00 H new ATOM 0 HB2 ASP A 31 86.147 68.859 44.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 85.698 69.955 43.557 1.00 0.00 H new ATOM 503 N LYS A 32 87.890 72.320 43.450 1.00 0.00 N ATOM 504 CA LYS A 32 87.980 73.490 42.560 1.00 0.00 C ATOM 505 C LYS A 32 87.870 73.150 41.080 1.00 0.00 C ATOM 506 O LYS A 32 88.780 72.560 40.490 1.00 0.00 O ATOM 507 CB LYS A 32 89.240 74.240 42.900 1.00 0.00 C ATOM 508 CG LYS A 32 89.120 74.790 44.330 1.00 0.00 C ATOM 509 CD LYS A 32 90.320 75.640 44.680 1.00 0.00 C ATOM 510 CE LYS A 32 90.250 76.280 46.030 1.00 0.00 C ATOM 511 NZ LYS A 32 91.450 77.110 46.250 1.00 0.00 N ATOM 0 H LYS A 32 88.659 71.656 43.357 1.00 0.00 H new ATOM 0 HA LYS A 32 87.114 74.129 42.735 1.00 0.00 H new ATOM 0 HB2 LYS A 32 90.104 73.581 42.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.396 75.056 42.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 88.210 75.383 44.421 1.00 0.00 H new ATOM 0 HG3 LYS A 32 89.035 73.964 45.036 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.216 75.021 44.631 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.430 76.420 43.927 1.00 0.00 H new ATOM 0 HE2 LYS A 32 89.353 76.894 46.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.179 75.515 46.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 91.398 77.553 47.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.300 76.513 46.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 91.499 77.850 45.520 1.00 0.00 H new ATOM 525 N ARG A 33 86.710 73.430 40.480 1.00 0.00 N ATOM 526 CA ARG A 33 86.150 72.540 39.450 1.00 0.00 C ATOM 527 C ARG A 33 85.180 73.260 38.530 1.00 0.00 C ATOM 528 O ARG A 33 84.680 74.300 38.890 1.00 0.00 O ATOM 529 CB ARG A 33 85.440 71.430 40.210 1.00 0.00 C ATOM 530 CG ARG A 33 84.860 70.380 39.270 1.00 0.00 C ATOM 531 CD ARG A 33 84.040 69.380 40.040 1.00 0.00 C ATOM 532 NE ARG A 33 84.890 68.540 40.880 1.00 0.00 N ATOM 533 CZ ARG A 33 84.440 67.500 41.550 1.00 0.00 C ATOM 534 NH1 ARG A 33 83.230 67.110 41.400 1.00 0.00 N ATOM 535 NH2 ARG A 33 85.230 66.770 42.260 1.00 0.00 N ATOM 0 H ARG A 33 86.144 74.254 40.683 1.00 0.00 H new ATOM 0 HA ARG A 33 86.940 72.159 38.803 1.00 0.00 H new ATOM 0 HB2 ARG A 33 86.140 70.955 40.897 1.00 0.00 H new ATOM 0 HB3 ARG A 33 84.640 71.858 40.815 1.00 0.00 H new ATOM 0 HG2 ARG A 33 84.240 70.862 38.514 1.00 0.00 H new ATOM 0 HG3 ARG A 33 85.666 69.870 38.743 1.00 0.00 H new ATOM 0 HD2 ARG A 33 83.312 69.903 40.661 1.00 0.00 H new ATOM 0 HD3 ARG A 33 83.477 68.755 39.347 1.00 0.00 H new ATOM 0 HE ARG A 33 85.881 68.771 40.951 1.00 0.00 H new ATOM 0 HH11 ARG A 33 82.610 67.606 40.759 1.00 0.00 H new ATOM 0 HH12 ARG A 33 82.886 66.304 41.921 1.00 0.00 H new ATOM 0 HH21 ARG A 33 86.224 66.994 42.310 1.00 0.00 H new ATOM 0 HH22 ARG A 33 84.861 65.968 42.772 1.00 0.00 H new ATOM 549 N SER A 34 84.890 72.710 37.350 1.00 0.00 N ATOM 550 CA SER A 34 83.910 73.340 36.480 1.00 0.00 C ATOM 551 C SER A 34 82.790 72.400 36.040 1.00 0.00 C ATOM 552 O SER A 34 82.950 71.170 36.020 1.00 0.00 O ATOM 553 CB SER A 34 84.660 74.020 35.350 1.00 0.00 C ATOM 554 OG SER A 34 85.470 73.060 34.730 1.00 0.00 O ATOM 0 H SER A 34 85.309 71.854 36.987 1.00 0.00 H new ATOM 0 HA SER A 34 83.359 74.102 37.031 1.00 0.00 H new ATOM 0 HB2 SER A 34 83.961 74.450 34.633 1.00 0.00 H new ATOM 0 HB3 SER A 34 85.267 74.840 35.734 1.00 0.00 H new ATOM 0 HG SER A 34 85.872 73.443 33.922 1.00 0.00 H new ATOM 560 N ILE A 35 81.660 73.040 35.760 1.00 0.00 N ATOM 561 CA ILE A 35 80.350 72.490 35.470 1.00 0.00 C ATOM 562 C ILE A 35 79.950 72.810 34.050 1.00 0.00 C ATOM 563 O ILE A 35 80.220 73.880 33.510 1.00 0.00 O ATOM 564 CB ILE A 35 79.280 73.050 36.440 1.00 0.00 C ATOM 565 CG1 ILE A 35 79.540 72.600 37.860 1.00 0.00 C ATOM 566 CG2 ILE A 35 77.860 72.620 36.070 1.00 0.00 C ATOM 567 CD1 ILE A 35 79.460 71.100 38.070 1.00 0.00 C ATOM 0 H ILE A 35 81.642 74.059 35.729 1.00 0.00 H new ATOM 0 HA ILE A 35 80.409 71.409 35.600 1.00 0.00 H new ATOM 0 HB ILE A 35 79.356 74.134 36.358 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.530 72.944 38.161 1.00 0.00 H new ATOM 0 HG13 ILE A 35 78.820 73.085 38.519 1.00 0.00 H new ATOM 0 HG21 ILE A 35 77.154 73.042 36.785 1.00 0.00 H new ATOM 0 HG22 ILE A 35 77.621 72.978 35.069 1.00 0.00 H new ATOM 0 HG23 ILE A 35 77.792 71.532 36.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 79.660 70.868 39.116 1.00 0.00 H new ATOM 0 HD12 ILE A 35 78.463 70.748 37.804 1.00 0.00 H new ATOM 0 HD13 ILE A 35 80.199 70.605 37.441 1.00 0.00 H new ATOM 579 N PHE A 36 79.230 71.870 33.450 1.00 0.00 N ATOM 580 CA PHE A 36 78.410 72.100 32.280 1.00 0.00 C ATOM 581 C PHE A 36 76.950 72.060 32.640 1.00 0.00 C ATOM 582 O PHE A 36 76.430 71.080 33.180 1.00 0.00 O ATOM 583 CB PHE A 36 78.730 71.040 31.270 1.00 0.00 C ATOM 584 CG PHE A 36 80.020 71.270 30.570 1.00 0.00 C ATOM 585 CD1 PHE A 36 81.200 70.750 31.110 1.00 0.00 C ATOM 586 CD2 PHE A 36 80.030 72.040 29.410 1.00 0.00 C ATOM 587 CE1 PHE A 36 82.420 71.010 30.480 1.00 0.00 C ATOM 588 CE2 PHE A 36 81.250 72.300 28.770 1.00 0.00 C ATOM 589 CZ PHE A 36 82.440 71.790 29.320 1.00 0.00 C ATOM 0 H PHE A 36 79.204 70.904 33.777 1.00 0.00 H new ATOM 0 HA PHE A 36 78.620 73.086 31.867 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.762 70.071 31.768 1.00 0.00 H new ATOM 0 HB3 PHE A 36 77.927 70.994 30.534 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.169 70.151 32.008 1.00 0.00 H new ATOM 0 HD2 PHE A 36 79.108 72.433 29.008 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.339 70.612 30.885 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.276 72.886 27.863 1.00 0.00 H new ATOM 0 HZ PHE A 36 83.383 72.004 28.839 1.00 0.00 H new ATOM 599 N TYR A 37 76.230 73.100 32.250 1.00 0.00 N ATOM 600 CA TYR A 37 74.870 73.270 32.730 1.00 0.00 C ATOM 601 C TYR A 37 73.970 73.020 31.550 1.00 0.00 C ATOM 602 O TYR A 37 73.970 73.780 30.590 1.00 0.00 O ATOM 603 CB TYR A 37 74.640 74.660 33.300 1.00 0.00 C ATOM 604 CG TYR A 37 73.280 74.850 33.910 1.00 0.00 C ATOM 605 CD1 TYR A 37 73.060 74.450 35.230 1.00 0.00 C ATOM 606 CD2 TYR A 37 72.230 75.400 33.160 1.00 0.00 C ATOM 607 CE1 TYR A 37 71.790 74.560 35.810 1.00 0.00 C ATOM 608 CE2 TYR A 37 70.960 75.540 33.760 1.00 0.00 C ATOM 609 CZ TYR A 37 70.740 75.130 35.080 1.00 0.00 C ATOM 610 OH TYR A 37 69.460 75.180 35.570 1.00 0.00 O ATOM 0 H TYR A 37 76.558 73.827 31.614 1.00 0.00 H new ATOM 0 HA TYR A 37 74.664 72.575 33.544 1.00 0.00 H new ATOM 0 HB2 TYR A 37 75.398 74.862 34.057 1.00 0.00 H new ATOM 0 HB3 TYR A 37 74.778 75.395 32.507 1.00 0.00 H new ATOM 0 HD1 TYR A 37 73.879 74.051 35.810 1.00 0.00 H new ATOM 0 HD2 TYR A 37 72.391 75.712 32.139 1.00 0.00 H new ATOM 0 HE1 TYR A 37 71.621 74.207 36.816 1.00 0.00 H new ATOM 0 HE2 TYR A 37 70.147 75.969 33.193 1.00 0.00 H new ATOM 0 HH TYR A 37 68.876 75.615 34.915 1.00 0.00 H new ATOM 620 N PHE A 38 73.210 71.930 31.620 1.00 0.00 N ATOM 621 CA PHE A 38 72.400 71.440 30.510 1.00 0.00 C ATOM 622 C PHE A 38 70.960 71.830 30.750 1.00 0.00 C ATOM 623 O PHE A 38 70.270 71.300 31.630 1.00 0.00 O ATOM 624 CB PHE A 38 72.570 69.960 30.370 1.00 0.00 C ATOM 625 CG PHE A 38 71.620 69.310 29.410 1.00 0.00 C ATOM 626 CD1 PHE A 38 70.300 69.090 29.760 1.00 0.00 C ATOM 627 CD2 PHE A 38 72.090 68.800 28.190 1.00 0.00 C ATOM 628 CE1 PHE A 38 69.430 68.580 28.830 1.00 0.00 C ATOM 629 CE2 PHE A 38 71.230 68.060 27.350 1.00 0.00 C ATOM 630 CZ PHE A 38 69.870 67.990 27.650 1.00 0.00 C ATOM 0 H PHE A 38 73.139 71.356 32.460 1.00 0.00 H new ATOM 0 HA PHE A 38 72.723 71.889 29.571 1.00 0.00 H new ATOM 0 HB2 PHE A 38 73.590 69.754 30.046 1.00 0.00 H new ATOM 0 HB3 PHE A 38 72.447 69.499 31.350 1.00 0.00 H new ATOM 0 HD1 PHE A 38 69.957 69.318 30.758 1.00 0.00 H new ATOM 0 HD2 PHE A 38 73.114 68.974 27.893 1.00 0.00 H new ATOM 0 HE1 PHE A 38 68.369 68.639 29.020 1.00 0.00 H new ATOM 0 HE2 PHE A 38 71.622 67.552 26.482 1.00 0.00 H new ATOM 0 HZ PHE A 38 69.179 67.492 26.986 1.00 0.00 H new ATOM 640 N ALA A 39 70.470 72.820 30.020 1.00 0.00 N ATOM 641 CA ALA A 39 69.150 73.350 30.260 1.00 0.00 C ATOM 642 C ALA A 39 68.490 73.910 29.030 1.00 0.00 C ATOM 643 O ALA A 39 69.160 74.470 28.180 1.00 0.00 O ATOM 644 CB ALA A 39 69.240 74.380 31.360 1.00 0.00 C ATOM 0 H ALA A 39 70.974 73.269 29.255 1.00 0.00 H new ATOM 0 HA ALA A 39 68.507 72.525 30.567 1.00 0.00 H new ATOM 0 HB1 ALA A 39 68.250 74.792 31.555 1.00 0.00 H new ATOM 0 HB2 ALA A 39 69.623 73.912 32.267 1.00 0.00 H new ATOM 0 HB3 ALA A 39 69.912 75.181 31.054 1.00 0.00 H new ATOM 650 N PRO A 40 67.170 73.700 28.880 1.00 0.00 N ATOM 651 CA PRO A 40 66.730 72.950 27.730 1.00 0.00 C ATOM 652 C PRO A 40 67.070 73.630 26.420 1.00 0.00 C ATOM 653 O PRO A 40 66.810 74.820 26.280 1.00 0.00 O ATOM 654 CB PRO A 40 65.230 72.790 27.900 1.00 0.00 C ATOM 655 CG PRO A 40 65.070 72.710 29.400 1.00 0.00 C ATOM 656 CD PRO A 40 66.090 73.730 29.870 1.00 0.00 C ATOM 0 HA PRO A 40 67.240 71.988 27.680 1.00 0.00 H new ATOM 0 HB2 PRO A 40 64.683 73.634 27.479 1.00 0.00 H new ATOM 0 HB3 PRO A 40 64.860 71.892 27.405 1.00 0.00 H new ATOM 0 HG2 PRO A 40 64.059 72.965 29.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 65.283 71.712 29.782 1.00 0.00 H new ATOM 0 HD2 PRO A 40 65.647 74.724 29.936 1.00 0.00 H new ATOM 0 HD3 PRO A 40 66.463 73.481 30.863 1.00 0.00 H new ATOM 664 N THR A 41 67.410 72.800 25.440 1.00 0.00 N ATOM 665 CA THR A 41 67.460 73.180 24.020 1.00 0.00 C ATOM 666 C THR A 41 66.100 73.730 23.620 1.00 0.00 C ATOM 667 O THR A 41 65.930 74.720 22.920 1.00 0.00 O ATOM 668 CB THR A 41 67.770 71.960 23.130 1.00 0.00 C ATOM 669 OG1 THR A 41 69.020 71.390 23.370 1.00 0.00 O ATOM 670 CG2 THR A 41 67.750 72.350 21.660 1.00 0.00 C ATOM 0 H THR A 41 67.664 71.826 25.606 1.00 0.00 H new ATOM 0 HA THR A 41 68.246 73.923 23.885 1.00 0.00 H new ATOM 0 HB THR A 41 66.995 71.234 23.377 1.00 0.00 H new ATOM 0 HG1 THR A 41 69.708 71.894 22.887 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.971 71.475 21.048 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.764 72.735 21.399 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.500 73.119 21.477 1.00 0.00 H new ATOM 678 N ASN A 42 65.100 73.020 24.130 1.00 0.00 N ATOM 679 CA ASN A 42 63.700 73.110 23.770 1.00 0.00 C ATOM 680 C ASN A 42 63.090 74.390 24.230 1.00 0.00 C ATOM 681 O ASN A 42 62.250 74.920 23.520 1.00 0.00 O ATOM 682 CB ASN A 42 62.950 71.940 24.440 1.00 0.00 C ATOM 683 CG ASN A 42 63.440 70.640 23.860 1.00 0.00 C ATOM 684 OD1 ASN A 42 64.240 70.630 22.950 1.00 0.00 O ATOM 685 ND2 ASN A 42 63.100 69.510 24.450 1.00 0.00 N ATOM 0 H ASN A 42 65.263 72.321 24.854 1.00 0.00 H new ATOM 0 HA ASN A 42 63.622 73.068 22.684 1.00 0.00 H new ATOM 0 HB2 ASN A 42 63.115 71.956 25.517 1.00 0.00 H new ATOM 0 HB3 ASN A 42 61.877 72.041 24.280 1.00 0.00 H new ATOM 0 HD21 ASN A 42 63.510 68.629 24.140 1.00 0.00 H new ATOM 0 HD22 ASN A 42 62.427 69.517 25.216 1.00 0.00 H new ATOM 692 N ALA A 43 63.430 74.830 25.450 1.00 0.00 N ATOM 693 CA ALA A 43 62.740 75.970 26.000 1.00 0.00 C ATOM 694 C ALA A 43 63.680 77.130 26.280 1.00 0.00 C ATOM 695 O ALA A 43 63.250 78.260 26.360 1.00 0.00 O ATOM 696 CB ALA A 43 61.970 75.530 27.260 1.00 0.00 C ATOM 0 H ALA A 43 64.152 74.422 26.044 1.00 0.00 H new ATOM 0 HA ALA A 43 62.029 76.342 25.262 1.00 0.00 H new ATOM 0 HB1 ALA A 43 61.445 76.386 27.683 1.00 0.00 H new ATOM 0 HB2 ALA A 43 61.249 74.757 26.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 62.671 75.135 27.995 1.00 0.00 H new ATOM 702 N HIS A 44 64.950 76.830 26.520 1.00 0.00 N ATOM 703 CA HIS A 44 65.960 77.770 26.990 1.00 0.00 C ATOM 704 C HIS A 44 65.520 78.450 28.290 1.00 0.00 C ATOM 705 O HIS A 44 65.790 79.620 28.540 1.00 0.00 O ATOM 706 CB HIS A 44 66.290 78.770 25.880 1.00 0.00 C ATOM 707 CG HIS A 44 66.710 78.180 24.570 1.00 0.00 C ATOM 708 ND1 HIS A 44 67.820 77.370 24.410 1.00 0.00 N ATOM 709 CD2 HIS A 44 66.100 78.320 23.370 1.00 0.00 C ATOM 710 CE1 HIS A 44 67.840 77.010 23.120 1.00 0.00 C ATOM 711 NE2 HIS A 44 66.840 77.600 22.450 1.00 0.00 N ATOM 0 H HIS A 44 65.319 75.888 26.387 1.00 0.00 H new ATOM 0 HA HIS A 44 66.875 77.228 27.228 1.00 0.00 H new ATOM 0 HB2 HIS A 44 65.414 79.396 25.710 1.00 0.00 H new ATOM 0 HB3 HIS A 44 67.086 79.425 26.233 1.00 0.00 H new ATOM 0 HD2 HIS A 44 65.203 78.888 23.169 1.00 0.00 H new ATOM 0 HE1 HIS A 44 68.562 76.338 22.681 1.00 0.00 H new ATOM 0 HE2 HIS A 44 66.659 77.531 21.449 1.00 0.00 H new ATOM 719 N LYS A 45 64.750 77.720 29.130 1.00 0.00 N ATOM 720 CA LYS A 45 64.090 78.330 30.290 1.00 0.00 C ATOM 721 C LYS A 45 64.840 78.160 31.570 1.00 0.00 C ATOM 722 O LYS A 45 65.120 79.130 32.270 1.00 0.00 O ATOM 723 CB LYS A 45 62.610 77.920 30.400 1.00 0.00 C ATOM 724 CG LYS A 45 61.940 78.670 31.570 1.00 0.00 C ATOM 725 CD LYS A 45 60.540 78.170 31.770 1.00 0.00 C ATOM 726 CE LYS A 45 59.790 78.810 32.930 1.00 0.00 C ATOM 727 NZ LYS A 45 58.430 78.210 33.090 1.00 0.00 N ATOM 0 H LYS A 45 64.576 76.721 29.022 1.00 0.00 H new ATOM 0 HA LYS A 45 64.102 79.404 30.104 1.00 0.00 H new ATOM 0 HB2 LYS A 45 62.091 78.146 29.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.533 76.844 30.555 1.00 0.00 H new ATOM 0 HG2 LYS A 45 62.519 78.527 32.482 1.00 0.00 H new ATOM 0 HG3 LYS A 45 61.926 79.741 31.365 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.975 78.339 30.853 1.00 0.00 H new ATOM 0 HD3 LYS A 45 60.574 77.092 31.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 60.359 78.679 33.851 1.00 0.00 H new ATOM 0 HE3 LYS A 45 59.700 79.883 32.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 57.942 78.665 33.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 57.881 78.357 32.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 58.520 77.191 33.275 1.00 0.00 H new ATOM 741 N ASP A 46 65.150 76.920 31.880 1.00 0.00 N ATOM 742 CA ASP A 46 66.020 76.610 33.010 1.00 0.00 C ATOM 743 C ASP A 46 67.380 77.250 32.860 1.00 0.00 C ATOM 744 O ASP A 46 67.900 77.730 33.860 1.00 0.00 O ATOM 745 CB ASP A 46 66.140 75.100 33.160 1.00 0.00 C ATOM 746 CG ASP A 46 64.850 74.500 33.640 1.00 0.00 C ATOM 747 OD1 ASP A 46 64.020 75.310 34.110 1.00 0.00 O ATOM 748 OD2 ASP A 46 64.740 73.260 33.630 1.00 0.00 O ATOM 0 H ASP A 46 64.815 76.104 31.368 1.00 0.00 H new ATOM 0 HA ASP A 46 65.573 77.025 33.914 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.417 74.657 32.203 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.938 74.864 33.863 1.00 0.00 H new ATOM 753 N MET A 47 67.890 77.350 31.640 1.00 0.00 N ATOM 754 CA MET A 47 69.200 77.910 31.330 1.00 0.00 C ATOM 755 C MET A 47 69.280 79.420 31.510 1.00 0.00 C ATOM 756 O MET A 47 70.230 79.910 32.110 1.00 0.00 O ATOM 757 CB MET A 47 69.500 77.570 29.880 1.00 0.00 C ATOM 758 CG MET A 47 70.870 78.090 29.470 1.00 0.00 C ATOM 759 SD MET A 47 71.320 77.580 27.810 1.00 0.00 S ATOM 760 CE MET A 47 70.190 78.650 26.880 1.00 0.00 C ATOM 0 H MET A 47 67.387 77.033 30.811 1.00 0.00 H new ATOM 0 HA MET A 47 69.923 77.482 32.025 1.00 0.00 H new ATOM 0 HB2 MET A 47 69.460 76.490 29.740 1.00 0.00 H new ATOM 0 HB3 MET A 47 68.735 78.003 29.235 1.00 0.00 H new ATOM 0 HG2 MET A 47 70.876 79.178 29.528 1.00 0.00 H new ATOM 0 HG3 MET A 47 71.619 77.729 30.175 1.00 0.00 H new ATOM 0 HE1 MET A 47 70.495 78.680 25.834 1.00 0.00 H new ATOM 0 HE2 MET A 47 69.176 78.257 26.951 1.00 0.00 H new ATOM 0 HE3 MET A 47 70.218 79.657 27.295 1.00 0.00 H new ATOM 770 N LEU A 48 68.270 80.150 31.030 1.00 0.00 N ATOM 771 CA LEU A 48 68.250 81.590 31.180 1.00 0.00 C ATOM 772 C LEU A 48 68.220 81.930 32.670 1.00 0.00 C ATOM 773 O LEU A 48 68.920 82.840 33.120 1.00 0.00 O ATOM 774 CB LEU A 48 67.030 82.220 30.480 1.00 0.00 C ATOM 775 CG LEU A 48 67.030 83.760 30.630 1.00 0.00 C ATOM 776 CD1 LEU A 48 68.280 84.300 29.910 1.00 0.00 C ATOM 777 CD2 LEU A 48 65.730 84.270 30.030 1.00 0.00 C ATOM 0 H LEU A 48 67.465 79.762 30.539 1.00 0.00 H new ATOM 0 HA LEU A 48 69.146 81.998 30.712 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.038 81.955 29.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.113 81.811 30.904 1.00 0.00 H new ATOM 0 HG LEU A 48 67.077 84.094 31.666 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.310 85.386 29.997 1.00 0.00 H new ATOM 0 HD12 LEU A 48 69.174 83.875 30.365 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.242 84.022 28.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.691 85.356 30.116 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.679 83.987 28.979 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.887 83.833 30.564 1.00 0.00 H new ATOM 789 N LYS A 49 67.430 81.180 33.440 1.00 0.00 N ATOM 790 CA LYS A 49 67.380 81.330 34.890 1.00 0.00 C ATOM 791 C LYS A 49 68.700 81.050 35.560 1.00 0.00 C ATOM 792 O LYS A 49 69.030 81.680 36.540 1.00 0.00 O ATOM 793 CB LYS A 49 66.300 80.430 35.480 1.00 0.00 C ATOM 794 CG LYS A 49 64.900 80.920 35.100 1.00 0.00 C ATOM 795 CD LYS A 49 63.830 80.020 35.680 1.00 0.00 C ATOM 796 CE LYS A 49 62.450 80.570 35.300 1.00 0.00 C ATOM 797 NZ LYS A 49 61.410 79.710 35.900 1.00 0.00 N ATOM 0 H LYS A 49 66.811 80.456 33.076 1.00 0.00 H new ATOM 0 HA LYS A 49 67.140 82.375 35.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 66.440 79.409 35.124 1.00 0.00 H new ATOM 0 HB3 LYS A 49 66.397 80.405 36.565 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.758 81.938 35.461 1.00 0.00 H new ATOM 0 HG3 LYS A 49 64.804 80.951 34.015 1.00 0.00 H new ATOM 0 HD2 LYS A 49 63.947 79.005 35.301 1.00 0.00 H new ATOM 0 HD3 LYS A 49 63.929 79.969 36.764 1.00 0.00 H new ATOM 0 HE2 LYS A 49 62.342 81.595 35.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 62.340 80.594 34.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 60.473 80.014 35.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 61.574 78.722 35.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.450 79.789 36.936 1.00 0.00 H new ATOM 811 N ALA A 50 69.440 80.100 35.030 1.00 0.00 N ATOM 812 CA ALA A 50 70.740 79.760 35.540 1.00 0.00 C ATOM 813 C ALA A 50 71.780 80.890 35.520 1.00 0.00 C ATOM 814 O ALA A 50 72.470 81.070 36.520 1.00 0.00 O ATOM 815 CB ALA A 50 71.220 78.570 34.740 1.00 0.00 C ATOM 0 H ALA A 50 69.150 79.541 34.228 1.00 0.00 H new ATOM 0 HA ALA A 50 70.633 79.540 36.602 1.00 0.00 H new ATOM 0 HB1 ALA A 50 72.208 78.271 35.090 1.00 0.00 H new ATOM 0 HB2 ALA A 50 70.524 77.741 34.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 71.275 78.839 33.685 1.00 0.00 H new ATOM 821 N VAL A 51 71.830 81.670 34.430 1.00 0.00 N ATOM 822 CA VAL A 51 72.730 82.840 34.330 1.00 0.00 C ATOM 823 C VAL A 51 72.490 83.770 35.520 1.00 0.00 C ATOM 824 O VAL A 51 73.410 84.280 36.150 1.00 0.00 O ATOM 825 CB VAL A 51 72.520 83.620 33.010 1.00 0.00 C ATOM 826 CG1 VAL A 51 73.480 84.800 32.910 1.00 0.00 C ATOM 827 CG2 VAL A 51 72.780 82.740 31.770 1.00 0.00 C ATOM 0 H VAL A 51 71.258 81.515 33.600 1.00 0.00 H new ATOM 0 HA VAL A 51 73.757 82.474 34.338 1.00 0.00 H new ATOM 0 HB VAL A 51 71.483 83.954 33.028 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.309 85.329 31.973 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.311 85.479 33.746 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.507 84.437 32.940 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.621 83.328 30.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.808 82.377 31.790 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.096 81.892 31.776 1.00 0.00 H new ATOM 837 N ASP A 52 71.210 83.940 35.830 1.00 0.00 N ATOM 838 CA ASP A 52 70.740 84.760 36.930 1.00 0.00 C ATOM 839 C ASP A 52 71.070 84.220 38.270 1.00 0.00 C ATOM 840 O ASP A 52 71.530 84.980 39.110 1.00 0.00 O ATOM 841 CB ASP A 52 69.250 84.910 36.850 1.00 0.00 C ATOM 842 CG ASP A 52 68.930 85.740 35.620 1.00 0.00 C ATOM 843 OD1 ASP A 52 69.850 86.530 35.140 1.00 0.00 O ATOM 844 OD2 ASP A 52 67.910 85.550 35.070 1.00 0.00 O ATOM 0 H ASP A 52 70.454 83.498 35.307 1.00 0.00 H new ATOM 0 HA ASP A 52 71.254 85.715 36.824 1.00 0.00 H new ATOM 0 HB2 ASP A 52 68.771 83.933 36.786 1.00 0.00 H new ATOM 0 HB3 ASP A 52 68.867 85.395 37.748 1.00 0.00 H new ATOM 849 N PHE A 53 70.880 82.920 38.460 1.00 0.00 N ATOM 850 CA PHE A 53 71.240 82.330 39.710 1.00 0.00 C ATOM 851 C PHE A 53 72.700 82.650 40.050 1.00 0.00 C ATOM 852 O PHE A 53 73.040 82.870 41.210 1.00 0.00 O ATOM 853 CB PHE A 53 70.880 80.840 39.630 1.00 0.00 C ATOM 854 CG PHE A 53 69.460 80.500 39.490 1.00 0.00 C ATOM 855 CD1 PHE A 53 68.500 81.360 40.000 1.00 0.00 C ATOM 856 CD2 PHE A 53 69.090 79.330 38.830 1.00 0.00 C ATOM 857 CE1 PHE A 53 67.170 81.040 39.820 1.00 0.00 C ATOM 858 CE2 PHE A 53 67.750 78.980 38.670 1.00 0.00 C ATOM 859 CZ PHE A 53 66.790 79.860 39.160 1.00 0.00 C ATOM 0 H PHE A 53 70.486 82.279 37.771 1.00 0.00 H new ATOM 0 HA PHE A 53 70.685 82.746 40.551 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.416 80.408 38.785 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.257 80.353 40.529 1.00 0.00 H new ATOM 0 HD1 PHE A 53 68.786 82.259 40.526 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.857 78.681 38.434 1.00 0.00 H new ATOM 0 HE1 PHE A 53 66.408 81.708 40.193 1.00 0.00 H new ATOM 0 HE2 PHE A 53 67.467 78.058 38.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 65.742 79.633 39.031 1.00 0.00 H new ATOM 869 N PHE A 54 73.560 82.630 39.010 1.00 0.00 N ATOM 870 CA PHE A 54 74.990 82.440 39.250 1.00 0.00 C ATOM 871 C PHE A 54 75.560 83.710 39.740 1.00 0.00 C ATOM 872 O PHE A 54 76.410 83.760 40.610 1.00 0.00 O ATOM 873 CB PHE A 54 75.690 82.020 37.970 1.00 0.00 C ATOM 874 CG PHE A 54 75.430 80.600 37.530 1.00 0.00 C ATOM 875 CD1 PHE A 54 75.370 79.540 38.370 1.00 0.00 C ATOM 876 CD2 PHE A 54 75.320 80.290 36.210 1.00 0.00 C ATOM 877 CE1 PHE A 54 74.840 78.360 37.930 1.00 0.00 C ATOM 878 CE2 PHE A 54 75.030 79.040 35.670 1.00 0.00 C ATOM 879 CZ PHE A 54 74.710 78.020 36.560 1.00 0.00 C ATOM 0 H PHE A 54 73.294 82.740 38.031 1.00 0.00 H new ATOM 0 HA PHE A 54 75.134 81.655 39.993 1.00 0.00 H new ATOM 0 HB2 PHE A 54 75.383 82.693 37.170 1.00 0.00 H new ATOM 0 HB3 PHE A 54 76.764 82.151 38.103 1.00 0.00 H new ATOM 0 HD1 PHE A 54 75.739 79.627 39.381 1.00 0.00 H new ATOM 0 HD2 PHE A 54 75.473 81.097 35.509 1.00 0.00 H new ATOM 0 HE1 PHE A 54 74.501 77.647 38.667 1.00 0.00 H new ATOM 0 HE2 PHE A 54 75.053 78.869 34.604 1.00 0.00 H new ATOM 0 HZ PHE A 54 74.387 77.043 36.232 1.00 0.00 H new ATOM 889 N LYS A 55 75.010 84.770 39.190 1.00 0.00 N ATOM 890 CA LYS A 55 75.210 86.100 39.650 1.00 0.00 C ATOM 891 C LYS A 55 74.590 86.330 40.990 1.00 0.00 C ATOM 892 O LYS A 55 75.200 87.100 41.690 1.00 0.00 O ATOM 893 CB LYS A 55 74.570 87.080 38.700 1.00 0.00 C ATOM 894 CG LYS A 55 75.240 87.060 37.340 1.00 0.00 C ATOM 895 CD LYS A 55 74.540 88.000 36.370 1.00 0.00 C ATOM 896 CE LYS A 55 75.190 87.990 35.010 1.00 0.00 C ATOM 897 NZ LYS A 55 74.480 88.980 34.180 1.00 0.00 N ATOM 0 H LYS A 55 74.391 84.712 38.381 1.00 0.00 H new ATOM 0 HA LYS A 55 76.289 86.245 39.713 1.00 0.00 H new ATOM 0 HB2 LYS A 55 73.512 86.841 38.588 1.00 0.00 H new ATOM 0 HB3 LYS A 55 74.627 88.084 39.120 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.286 87.351 37.442 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.229 86.046 36.941 1.00 0.00 H new ATOM 0 HD2 LYS A 55 73.494 87.710 36.274 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.554 89.013 36.772 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.248 88.241 35.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.130 86.998 34.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.902 89.002 33.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.477 88.717 34.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.560 89.921 34.617 1.00 0.00 H new ATOM 911 N GLU A 56 73.420 85.790 41.330 1.00 0.00 N ATOM 912 CA GLU A 56 72.790 85.940 42.650 1.00 0.00 C ATOM 913 C GLU A 56 73.520 85.230 43.810 1.00 0.00 C ATOM 914 O GLU A 56 73.480 85.690 44.950 1.00 0.00 O ATOM 915 CB GLU A 56 71.380 85.360 42.580 1.00 0.00 C ATOM 916 CG GLU A 56 70.430 86.230 41.760 1.00 0.00 C ATOM 917 CD GLU A 56 69.030 85.590 41.630 1.00 0.00 C ATOM 918 OE1 GLU A 56 68.850 84.400 42.020 1.00 0.00 O ATOM 919 OE2 GLU A 56 68.120 86.310 41.190 1.00 0.00 O ATOM 0 H GLU A 56 72.869 85.224 40.685 1.00 0.00 H new ATOM 0 HA GLU A 56 72.815 87.008 42.868 1.00 0.00 H new ATOM 0 HB2 GLU A 56 71.422 84.362 42.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 70.986 85.249 43.590 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.339 87.210 42.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.850 86.390 40.767 1.00 0.00 H new ATOM 926 N LYS A 57 74.260 84.150 43.530 1.00 0.00 N ATOM 927 CA LYS A 57 75.130 83.460 44.510 1.00 0.00 C ATOM 928 C LYS A 57 76.620 83.540 44.180 1.00 0.00 C ATOM 929 O LYS A 57 77.030 83.300 43.060 1.00 0.00 O ATOM 930 CB LYS A 57 74.730 81.990 44.560 1.00 0.00 C ATOM 931 CG LYS A 57 73.390 81.840 45.280 1.00 0.00 C ATOM 932 CD LYS A 57 73.000 80.370 45.360 1.00 0.00 C ATOM 933 CE LYS A 57 71.670 80.230 46.110 1.00 0.00 C ATOM 934 NZ LYS A 57 71.300 78.820 46.330 1.00 0.00 N ATOM 0 H LYS A 57 74.276 83.719 42.605 1.00 0.00 H new ATOM 0 HA LYS A 57 74.988 83.965 45.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 74.656 81.590 43.549 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.497 81.413 45.076 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.458 82.261 46.283 1.00 0.00 H new ATOM 0 HG3 LYS A 57 72.619 82.400 44.751 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.909 79.953 44.357 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.779 79.804 45.871 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.742 80.739 47.071 1.00 0.00 H new ATOM 0 HE3 LYS A 57 70.882 80.727 45.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 70.379 78.629 45.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 72.022 78.202 45.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 71.237 78.633 47.351 1.00 0.00 H new ATOM 948 N GLY A 58 77.470 83.660 45.180 1.00 0.00 N ATOM 949 CA GLY A 58 78.900 83.920 45.000 1.00 0.00 C ATOM 950 C GLY A 58 79.780 82.850 44.300 1.00 0.00 C ATOM 951 O GLY A 58 80.750 83.230 43.670 1.00 0.00 O ATOM 0 H GLY A 58 77.191 83.580 46.158 1.00 0.00 H new ATOM 0 HA2 GLY A 58 78.997 84.846 44.434 1.00 0.00 H new ATOM 0 HA3 GLY A 58 79.327 84.103 45.986 1.00 0.00 H new ATOM 955 N HIS A 59 79.490 81.530 44.410 1.00 0.00 N ATOM 956 CA HIS A 59 80.450 80.390 44.430 1.00 0.00 C ATOM 957 C HIS A 59 81.270 80.140 43.140 1.00 0.00 C ATOM 958 O HIS A 59 82.460 79.820 43.160 1.00 0.00 O ATOM 959 CB HIS A 59 79.650 79.110 44.730 1.00 0.00 C ATOM 960 CG HIS A 59 79.060 79.090 46.120 1.00 0.00 C ATOM 961 ND1 HIS A 59 79.840 79.020 47.260 1.00 0.00 N ATOM 962 CD2 HIS A 59 77.750 79.200 46.500 1.00 0.00 C ATOM 963 CE1 HIS A 59 79.000 79.100 48.280 1.00 0.00 C ATOM 964 NE2 HIS A 59 77.740 79.180 47.880 1.00 0.00 N ATOM 0 H HIS A 59 78.525 81.210 44.492 1.00 0.00 H new ATOM 0 HA HIS A 59 81.188 80.655 45.187 1.00 0.00 H new ATOM 0 HB2 HIS A 59 78.847 79.012 44.000 1.00 0.00 H new ATOM 0 HB3 HIS A 59 80.301 78.245 44.606 1.00 0.00 H new ATOM 0 HD2 HIS A 59 76.893 79.286 45.848 1.00 0.00 H new ATOM 0 HE1 HIS A 59 79.306 79.100 49.316 1.00 0.00 H new ATOM 0 HE2 HIS A 59 76.916 79.219 48.480 1.00 0.00 H new ATOM 972 N THR A 60 80.560 80.250 42.030 1.00 0.00 N ATOM 973 CA THR A 60 81.120 80.280 40.690 1.00 0.00 C ATOM 974 C THR A 60 82.110 81.400 40.560 1.00 0.00 C ATOM 975 O THR A 60 81.980 82.450 41.170 1.00 0.00 O ATOM 976 CB THR A 60 80.040 80.450 39.650 1.00 0.00 C ATOM 977 OG1 THR A 60 80.630 80.380 38.370 1.00 0.00 O ATOM 978 CG2 THR A 60 79.280 81.750 39.780 1.00 0.00 C ATOM 0 H THR A 60 79.543 80.323 42.038 1.00 0.00 H new ATOM 0 HA THR A 60 81.622 79.327 40.523 1.00 0.00 H new ATOM 0 HB THR A 60 79.316 79.649 39.801 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.438 79.827 38.412 1.00 0.00 H new ATOM 0 HG21 THR A 60 78.519 81.806 39.001 1.00 0.00 H new ATOM 0 HG22 THR A 60 78.802 81.796 40.758 1.00 0.00 H new ATOM 0 HG23 THR A 60 79.970 82.587 39.674 1.00 0.00 H new ATOM 986 N ALA A 61 83.130 81.150 39.760 1.00 0.00 N ATOM 987 CA ALA A 61 84.020 82.190 39.360 1.00 0.00 C ATOM 988 C ALA A 61 83.430 82.850 38.150 1.00 0.00 C ATOM 989 O ALA A 61 83.140 84.050 38.180 1.00 0.00 O ATOM 990 CB ALA A 61 85.410 81.570 39.080 1.00 0.00 C ATOM 0 H ALA A 61 83.351 80.229 39.381 1.00 0.00 H new ATOM 0 HA ALA A 61 84.151 82.945 40.135 1.00 0.00 H new ATOM 0 HB1 ALA A 61 86.103 82.354 38.773 1.00 0.00 H new ATOM 0 HB2 ALA A 61 85.783 81.090 39.985 1.00 0.00 H new ATOM 0 HB3 ALA A 61 85.324 80.829 38.285 1.00 0.00 H new ATOM 996 N TYR A 62 83.220 82.070 37.100 1.00 0.00 N ATOM 997 CA TYR A 62 82.820 82.660 35.850 1.00 0.00 C ATOM 998 C TYR A 62 81.630 81.930 35.260 1.00 0.00 C ATOM 999 O TYR A 62 81.410 80.750 35.520 1.00 0.00 O ATOM 1000 CB TYR A 62 84.020 82.690 34.890 1.00 0.00 C ATOM 1001 CG TYR A 62 85.200 83.510 35.330 1.00 0.00 C ATOM 1002 CD1 TYR A 62 85.150 84.900 35.150 1.00 0.00 C ATOM 1003 CD2 TYR A 62 86.310 82.890 35.930 1.00 0.00 C ATOM 1004 CE1 TYR A 62 86.230 85.700 35.580 1.00 0.00 C ATOM 1005 CE2 TYR A 62 87.410 83.690 36.320 1.00 0.00 C ATOM 1006 CZ TYR A 62 87.380 85.090 36.140 1.00 0.00 C ATOM 1007 OH TYR A 62 88.350 85.860 36.700 1.00 0.00 O ATOM 0 H TYR A 62 83.319 81.055 37.094 1.00 0.00 H new ATOM 0 HA TYR A 62 82.498 83.687 36.021 1.00 0.00 H new ATOM 0 HB2 TYR A 62 84.356 81.666 34.729 1.00 0.00 H new ATOM 0 HB3 TYR A 62 83.679 83.069 33.927 1.00 0.00 H new ATOM 0 HD1 TYR A 62 84.289 85.356 34.684 1.00 0.00 H new ATOM 0 HD2 TYR A 62 86.323 81.822 36.090 1.00 0.00 H new ATOM 0 HE1 TYR A 62 86.180 86.774 35.483 1.00 0.00 H new ATOM 0 HE2 TYR A 62 88.280 83.225 36.759 1.00 0.00 H new ATOM 0 HH TYR A 62 89.069 85.286 37.038 1.00 0.00 H new ATOM 1017 N LEU A 63 80.910 82.630 34.380 1.00 0.00 N ATOM 1018 CA LEU A 63 79.970 81.950 33.510 1.00 0.00 C ATOM 1019 C LEU A 63 79.980 82.350 32.020 1.00 0.00 C ATOM 1020 O LEU A 63 79.720 83.500 31.670 1.00 0.00 O ATOM 1021 CB LEU A 63 78.600 82.130 34.130 1.00 0.00 C ATOM 1022 CG LEU A 63 77.520 81.510 33.250 1.00 0.00 C ATOM 1023 CD1 LEU A 63 77.670 80.000 33.270 1.00 0.00 C ATOM 1024 CD2 LEU A 63 76.160 81.910 33.730 1.00 0.00 C ATOM 0 H LEU A 63 80.962 83.641 34.258 1.00 0.00 H new ATOM 0 HA LEU A 63 80.278 80.906 33.456 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.580 81.669 35.117 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.396 83.192 34.270 1.00 0.00 H new ATOM 0 HG LEU A 63 77.634 81.870 32.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.901 79.550 32.643 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.654 79.727 32.890 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.563 79.637 34.292 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.401 81.459 33.091 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.021 81.568 34.755 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.066 82.995 33.694 1.00 0.00 H new ATOM 1036 N ASP A 64 80.070 81.340 31.150 1.00 0.00 N ATOM 1037 CA ASP A 64 80.150 81.490 29.690 1.00 0.00 C ATOM 1038 C ASP A 64 79.330 80.420 28.920 1.00 0.00 C ATOM 1039 O ASP A 64 78.860 79.430 29.480 1.00 0.00 O ATOM 1040 CB ASP A 64 81.630 81.420 29.310 1.00 0.00 C ATOM 1041 CG ASP A 64 81.880 81.860 27.870 1.00 0.00 C ATOM 1042 OD1 ASP A 64 80.960 82.470 27.310 1.00 0.00 O ATOM 1043 OD2 ASP A 64 83.070 81.860 27.440 1.00 0.00 O ATOM 0 H ASP A 64 80.090 80.365 31.449 1.00 0.00 H new ATOM 0 HA ASP A 64 79.710 82.446 29.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 82.207 82.052 29.986 1.00 0.00 H new ATOM 0 HB3 ASP A 64 81.989 80.400 29.443 1.00 0.00 H new ATOM 1048 N GLU A 65 79.020 80.630 27.640 1.00 0.00 N ATOM 1049 CA GLU A 65 78.190 79.720 26.870 1.00 0.00 C ATOM 1050 C GLU A 65 79.080 78.720 26.120 1.00 0.00 C ATOM 1051 O GLU A 65 80.140 79.050 25.600 1.00 0.00 O ATOM 1052 CB GLU A 65 77.290 80.520 25.930 1.00 0.00 C ATOM 1053 CG GLU A 65 76.440 79.600 25.030 1.00 0.00 C ATOM 1054 CD GLU A 65 75.540 80.360 24.040 1.00 0.00 C ATOM 1055 OE1 GLU A 65 75.510 81.620 24.100 1.00 0.00 O ATOM 1056 OE2 GLU A 65 75.050 79.710 23.100 1.00 0.00 O ATOM 0 H GLU A 65 79.342 81.441 27.112 1.00 0.00 H new ATOM 0 HA GLU A 65 77.542 79.145 27.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 76.633 81.163 26.516 1.00 0.00 H new ATOM 0 HB3 GLU A 65 77.903 81.172 25.308 1.00 0.00 H new ATOM 0 HG2 GLU A 65 77.103 78.940 24.471 1.00 0.00 H new ATOM 0 HG3 GLU A 65 75.817 78.966 25.660 1.00 0.00 H new ATOM 1063 N VAL A 66 78.620 77.480 25.990 1.00 0.00 N ATOM 1064 CA VAL A 66 79.320 76.480 25.200 1.00 0.00 C ATOM 1065 C VAL A 66 78.930 76.600 23.740 1.00 0.00 C ATOM 1066 O VAL A 66 77.770 76.700 23.390 1.00 0.00 O ATOM 1067 CB VAL A 66 79.040 75.070 25.730 1.00 0.00 C ATOM 1068 CG1 VAL A 66 79.780 74.030 24.900 1.00 0.00 C ATOM 1069 CG2 VAL A 66 79.560 74.920 27.140 1.00 0.00 C ATOM 0 H VAL A 66 77.761 77.145 26.425 1.00 0.00 H new ATOM 0 HA VAL A 66 80.392 76.658 25.286 1.00 0.00 H new ATOM 0 HB VAL A 66 77.961 74.923 25.685 1.00 0.00 H new ATOM 0 HG11 VAL A 66 79.569 73.035 25.291 1.00 0.00 H new ATOM 0 HG12 VAL A 66 79.449 74.090 23.863 1.00 0.00 H new ATOM 0 HG13 VAL A 66 80.852 74.220 24.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 79.352 73.912 27.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 80.636 75.094 27.151 1.00 0.00 H new ATOM 0 HG23 VAL A 66 79.068 75.645 27.788 1.00 0.00 H new ATOM 1079 N ARG A 67 79.890 76.470 22.840 1.00 0.00 N ATOM 1080 CA ARG A 67 79.710 76.680 21.410 1.00 0.00 C ATOM 1081 C ARG A 67 79.630 75.420 20.610 1.00 0.00 C ATOM 1082 O ARG A 67 79.870 75.480 19.440 1.00 0.00 O ATOM 1083 CB ARG A 67 80.860 77.500 20.880 1.00 0.00 C ATOM 1084 CG ARG A 67 81.010 78.830 21.590 1.00 0.00 C ATOM 1085 CD ARG A 67 79.660 79.490 21.570 1.00 0.00 C ATOM 1086 NE ARG A 67 79.280 79.880 20.200 1.00 0.00 N ATOM 1087 CZ ARG A 67 78.130 80.420 19.890 1.00 0.00 C ATOM 1088 NH1 ARG A 67 77.190 80.580 20.760 1.00 0.00 N ATOM 1089 NH2 ARG A 67 77.930 80.790 18.690 1.00 0.00 N ATOM 0 H ARG A 67 80.844 76.208 23.089 1.00 0.00 H new ATOM 0 HA ARG A 67 78.753 77.190 21.300 1.00 0.00 H new ATOM 0 HB2 ARG A 67 81.784 76.931 20.985 1.00 0.00 H new ATOM 0 HB3 ARG A 67 80.713 77.677 19.814 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.354 78.684 22.614 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.752 79.453 21.090 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.913 78.809 21.978 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.673 80.371 22.212 1.00 0.00 H new ATOM 0 HE ARG A 67 79.953 79.719 19.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 77.332 80.281 21.725 1.00 0.00 H new ATOM 0 HH12 ARG A 67 76.305 81.005 20.483 1.00 0.00 H new ATOM 0 HH21 ARG A 67 78.660 80.663 17.989 1.00 0.00 H new ATOM 0 HH22 ARG A 67 77.040 81.213 18.429 1.00 0.00 H new ATOM 1103 N VAL A 68 79.210 74.320 21.220 1.00 0.00 N ATOM 1104 CA VAL A 68 78.310 73.410 20.510 1.00 0.00 C ATOM 1105 C VAL A 68 76.860 73.910 20.630 1.00 0.00 C ATOM 1106 O VAL A 68 75.890 73.180 20.560 1.00 0.00 O ATOM 1107 CB VAL A 68 78.450 72.020 21.060 1.00 0.00 C ATOM 1108 CG1 VAL A 68 79.900 71.540 20.980 1.00 0.00 C ATOM 1109 CG2 VAL A 68 78.020 72.000 22.520 1.00 0.00 C ATOM 0 H VAL A 68 79.463 74.039 22.167 1.00 0.00 H new ATOM 0 HA VAL A 68 78.576 73.386 19.453 1.00 0.00 H new ATOM 0 HB VAL A 68 77.819 71.360 20.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 79.972 70.531 21.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 80.226 71.538 19.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 80.537 72.209 21.558 1.00 0.00 H new ATOM 0 HG21 VAL A 68 78.123 70.990 22.916 1.00 0.00 H new ATOM 0 HG22 VAL A 68 78.649 72.680 23.094 1.00 0.00 H new ATOM 0 HG23 VAL A 68 76.980 72.316 22.597 1.00 0.00 H new ATOM 1119 N SER A 69 76.700 75.190 20.890 1.00 0.00 N ATOM 1120 CA SER A 69 75.430 75.850 20.870 1.00 0.00 C ATOM 1121 C SER A 69 74.770 75.820 19.490 1.00 0.00 C ATOM 1122 O SER A 69 73.560 75.870 19.430 1.00 0.00 O ATOM 1123 CB SER A 69 75.630 77.270 21.370 1.00 0.00 C ATOM 1124 OG SER A 69 76.720 77.810 20.630 1.00 0.00 O ATOM 0 H SER A 69 77.476 75.809 21.126 1.00 0.00 H new ATOM 0 HA SER A 69 74.741 75.317 21.525 1.00 0.00 H new ATOM 0 HB2 SER A 69 74.728 77.864 21.221 1.00 0.00 H new ATOM 0 HB3 SER A 69 75.845 77.278 22.439 1.00 0.00 H new ATOM 0 HG SER A 69 76.382 78.242 19.818 1.00 0.00 H new ATOM 1130 N THR A 70 75.500 75.820 18.360 1.00 0.00 N ATOM 1131 CA THR A 70 74.790 75.740 17.070 1.00 0.00 C ATOM 1132 C THR A 70 74.040 74.420 17.120 1.00 0.00 C ATOM 1133 O THR A 70 72.870 74.350 16.810 1.00 0.00 O ATOM 1134 CB THR A 70 75.690 75.790 15.820 1.00 0.00 C ATOM 1135 OG1 THR A 70 76.620 74.730 15.810 1.00 0.00 O ATOM 1136 CG2 THR A 70 76.520 77.060 15.750 1.00 0.00 C ATOM 0 H THR A 70 76.517 75.871 18.309 1.00 0.00 H new ATOM 0 HA THR A 70 74.150 76.616 16.962 1.00 0.00 H new ATOM 0 HB THR A 70 75.000 75.732 14.979 1.00 0.00 H new ATOM 0 HG1 THR A 70 76.156 73.890 15.611 1.00 0.00 H new ATOM 0 HG21 THR A 70 77.135 77.043 14.850 1.00 0.00 H new ATOM 0 HG22 THR A 70 75.859 77.926 15.721 1.00 0.00 H new ATOM 0 HG23 THR A 70 77.163 77.123 16.628 1.00 0.00 H new ATOM 1144 N ASP A 71 74.740 73.430 17.650 1.00 0.00 N ATOM 1145 CA ASP A 71 74.400 72.040 17.700 1.00 0.00 C ATOM 1146 C ASP A 71 73.390 71.590 18.710 1.00 0.00 C ATOM 1147 O ASP A 71 72.690 70.650 18.340 1.00 0.00 O ATOM 1148 CB ASP A 71 75.650 71.270 17.990 1.00 0.00 C ATOM 1149 CG ASP A 71 76.580 71.280 16.770 1.00 0.00 C ATOM 1150 OD1 ASP A 71 76.150 71.780 15.700 1.00 0.00 O ATOM 1151 OD2 ASP A 71 77.760 70.950 16.930 1.00 0.00 O ATOM 0 H ASP A 71 75.641 73.609 18.093 1.00 0.00 H new ATOM 0 HA ASP A 71 73.936 71.859 16.730 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.162 71.705 18.849 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.399 70.243 18.255 1.00 0.00 H new ATOM 1156 N GLU A 72 73.350 72.190 19.910 1.00 0.00 N ATOM 1157 CA GLU A 72 72.390 71.900 21.000 1.00 0.00 C ATOM 1158 C GLU A 72 71.740 73.150 21.600 1.00 0.00 C ATOM 1159 O GLU A 72 70.540 73.220 21.830 1.00 0.00 O ATOM 1160 CB GLU A 72 73.040 71.070 22.060 1.00 0.00 C ATOM 1161 CG GLU A 72 73.290 69.670 21.520 1.00 0.00 C ATOM 1162 CD GLU A 72 73.930 68.780 22.570 1.00 0.00 C ATOM 1163 OE1 GLU A 72 74.250 69.250 23.680 1.00 0.00 O ATOM 1164 OE2 GLU A 72 74.150 67.600 22.250 1.00 0.00 O ATOM 0 H GLU A 72 74.012 72.923 20.164 1.00 0.00 H new ATOM 0 HA GLU A 72 71.575 71.334 20.548 1.00 0.00 H new ATOM 0 HB2 GLU A 72 73.980 71.526 22.369 1.00 0.00 H new ATOM 0 HB3 GLU A 72 72.403 71.023 22.943 1.00 0.00 H new ATOM 0 HG2 GLU A 72 72.348 69.230 21.193 1.00 0.00 H new ATOM 0 HG3 GLU A 72 73.937 69.726 20.644 1.00 0.00 H new ATOM 1171 N LYS A 73 72.570 74.170 21.800 1.00 0.00 N ATOM 1172 CA LYS A 73 72.250 75.430 22.500 1.00 0.00 C ATOM 1173 C LYS A 73 71.590 75.170 23.860 1.00 0.00 C ATOM 1174 O LYS A 73 70.690 75.860 24.300 1.00 0.00 O ATOM 1175 CB LYS A 73 71.360 76.320 21.640 1.00 0.00 C ATOM 1176 CG LYS A 73 71.180 77.750 22.130 1.00 0.00 C ATOM 1177 CD LYS A 73 70.240 78.500 21.180 1.00 0.00 C ATOM 1178 CE LYS A 73 70.000 79.900 21.720 1.00 0.00 C ATOM 1179 NZ LYS A 73 69.090 80.660 20.850 1.00 0.00 N ATOM 0 H LYS A 73 73.533 74.148 21.465 1.00 0.00 H new ATOM 0 HA LYS A 73 73.192 75.949 22.679 1.00 0.00 H new ATOM 0 HB2 LYS A 73 71.775 76.351 20.632 1.00 0.00 H new ATOM 0 HB3 LYS A 73 70.377 75.855 21.566 1.00 0.00 H new ATOM 0 HG2 LYS A 73 70.770 77.751 23.140 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.145 78.254 22.177 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.676 78.552 20.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 69.295 77.966 21.087 1.00 0.00 H new ATOM 0 HE2 LYS A 73 69.579 79.838 22.724 1.00 0.00 H new ATOM 0 HE3 LYS A 73 70.950 80.427 21.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 68.946 81.611 21.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 69.504 80.739 19.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 68.176 80.168 20.790 1.00 0.00 H new ATOM 1193 N ASP A 74 72.050 74.150 24.550 1.00 0.00 N ATOM 1194 CA ASP A 74 71.580 73.890 25.900 1.00 0.00 C ATOM 1195 C ASP A 74 72.690 73.830 26.930 1.00 0.00 C ATOM 1196 O ASP A 74 72.370 73.590 28.090 1.00 0.00 O ATOM 1197 CB ASP A 74 70.780 72.600 25.910 1.00 0.00 C ATOM 1198 CG ASP A 74 71.610 71.390 25.490 1.00 0.00 C ATOM 1199 OD1 ASP A 74 72.770 71.600 25.060 1.00 0.00 O ATOM 1200 OD2 ASP A 74 71.030 70.290 25.600 1.00 0.00 O ATOM 0 H ASP A 74 72.745 73.488 24.205 1.00 0.00 H new ATOM 0 HA ASP A 74 70.952 74.733 26.188 1.00 0.00 H new ATOM 0 HB2 ASP A 74 70.381 72.432 26.910 1.00 0.00 H new ATOM 0 HB3 ASP A 74 69.927 72.701 25.239 1.00 0.00 H new ATOM 1205 N PHE A 75 73.950 74.110 26.570 1.00 0.00 N ATOM 1206 CA PHE A 75 75.040 74.100 27.520 1.00 0.00 C ATOM 1207 C PHE A 75 75.570 75.480 27.850 1.00 0.00 C ATOM 1208 O PHE A 75 76.080 76.210 26.990 1.00 0.00 O ATOM 1209 CB PHE A 75 76.150 73.210 27.010 1.00 0.00 C ATOM 1210 CG PHE A 75 75.910 71.770 27.360 1.00 0.00 C ATOM 1211 CD1 PHE A 75 76.190 71.320 28.650 1.00 0.00 C ATOM 1212 CD2 PHE A 75 75.360 70.900 26.420 1.00 0.00 C ATOM 1213 CE1 PHE A 75 76.010 69.970 28.960 1.00 0.00 C ATOM 1214 CE2 PHE A 75 75.180 69.540 26.730 1.00 0.00 C ATOM 1215 CZ PHE A 75 75.510 69.080 28.000 1.00 0.00 C ATOM 0 H PHE A 75 74.228 74.346 25.617 1.00 0.00 H new ATOM 0 HA PHE A 75 74.642 73.704 28.454 1.00 0.00 H new ATOM 0 HB2 PHE A 75 76.231 73.313 25.928 1.00 0.00 H new ATOM 0 HB3 PHE A 75 77.101 73.534 27.434 1.00 0.00 H new ATOM 0 HD1 PHE A 75 76.543 72.009 29.403 1.00 0.00 H new ATOM 0 HD2 PHE A 75 75.071 71.272 25.448 1.00 0.00 H new ATOM 0 HE1 PHE A 75 76.258 69.609 29.947 1.00 0.00 H new ATOM 0 HE2 PHE A 75 74.789 68.859 25.988 1.00 0.00 H new ATOM 0 HZ PHE A 75 75.381 68.036 28.247 1.00 0.00 H new ATOM 1225 N LEU A 76 75.570 75.800 29.140 1.00 0.00 N ATOM 1226 CA LEU A 76 76.520 76.750 29.720 1.00 0.00 C ATOM 1227 C LEU A 76 77.820 76.020 30.170 1.00 0.00 C ATOM 1228 O LEU A 76 77.750 74.850 30.560 1.00 0.00 O ATOM 1229 CB LEU A 76 75.820 77.420 30.890 1.00 0.00 C ATOM 1230 CG LEU A 76 74.490 78.130 30.650 1.00 0.00 C ATOM 1231 CD1 LEU A 76 73.850 78.650 31.950 1.00 0.00 C ATOM 1232 CD2 LEU A 76 74.750 79.330 29.750 1.00 0.00 C ATOM 0 H LEU A 76 74.912 75.409 29.815 1.00 0.00 H new ATOM 0 HA LEU A 76 76.824 77.498 28.988 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.654 76.660 31.653 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.511 78.150 31.312 1.00 0.00 H new ATOM 0 HG LEU A 76 73.807 77.409 30.202 1.00 0.00 H new ATOM 0 HD11 LEU A 76 72.907 79.146 31.718 1.00 0.00 H new ATOM 0 HD12 LEU A 76 73.664 77.814 32.624 1.00 0.00 H new ATOM 0 HD13 LEU A 76 74.525 79.359 32.429 1.00 0.00 H new ATOM 0 HD21 LEU A 76 73.813 79.855 29.564 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.453 80.005 30.238 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.170 78.991 28.803 1.00 0.00 H new ATOM 1244 N TYR A 77 78.980 76.680 30.090 1.00 0.00 N ATOM 1245 CA TYR A 77 80.240 76.330 30.780 1.00 0.00 C ATOM 1246 C TYR A 77 80.390 77.340 31.910 1.00 0.00 C ATOM 1247 O TYR A 77 80.640 78.530 31.700 1.00 0.00 O ATOM 1248 CB TYR A 77 81.480 76.380 29.870 1.00 0.00 C ATOM 1249 CG TYR A 77 82.770 75.980 30.560 1.00 0.00 C ATOM 1250 CD1 TYR A 77 83.540 76.920 31.260 1.00 0.00 C ATOM 1251 CD2 TYR A 77 83.230 74.660 30.500 1.00 0.00 C ATOM 1252 CE1 TYR A 77 84.710 76.520 31.930 1.00 0.00 C ATOM 1253 CE2 TYR A 77 84.430 74.260 31.100 1.00 0.00 C ATOM 1254 CZ TYR A 77 85.170 75.200 31.850 1.00 0.00 C ATOM 1255 OH TYR A 77 86.330 74.830 32.460 1.00 0.00 O ATOM 0 H TYR A 77 79.077 77.517 29.515 1.00 0.00 H new ATOM 0 HA TYR A 77 80.182 75.299 31.129 1.00 0.00 H new ATOM 0 HB2 TYR A 77 81.318 75.722 29.016 1.00 0.00 H new ATOM 0 HB3 TYR A 77 81.589 77.391 29.477 1.00 0.00 H new ATOM 0 HD1 TYR A 77 83.233 77.955 31.285 1.00 0.00 H new ATOM 0 HD2 TYR A 77 82.640 73.925 29.973 1.00 0.00 H new ATOM 0 HE1 TYR A 77 85.262 77.241 32.515 1.00 0.00 H new ATOM 0 HE2 TYR A 77 84.785 73.246 30.991 1.00 0.00 H new ATOM 0 HH TYR A 77 86.473 75.385 33.255 1.00 0.00 H new ATOM 1265 N GLU A 78 80.240 76.840 33.120 1.00 0.00 N ATOM 1266 CA GLU A 78 80.440 77.590 34.340 1.00 0.00 C ATOM 1267 C GLU A 78 81.620 76.970 35.040 1.00 0.00 C ATOM 1268 O GLU A 78 81.850 75.760 34.970 1.00 0.00 O ATOM 1269 CB GLU A 78 79.250 77.410 35.260 1.00 0.00 C ATOM 1270 CG GLU A 78 79.280 78.330 36.480 1.00 0.00 C ATOM 1271 CD GLU A 78 78.190 77.930 37.470 1.00 0.00 C ATOM 1272 OE1 GLU A 78 77.460 76.980 37.150 1.00 0.00 O ATOM 1273 OE2 GLU A 78 78.090 78.570 38.530 1.00 0.00 O ATOM 0 H GLU A 78 79.967 75.871 33.285 1.00 0.00 H new ATOM 0 HA GLU A 78 80.581 78.646 34.110 1.00 0.00 H new ATOM 0 HB2 GLU A 78 78.335 77.594 34.698 1.00 0.00 H new ATOM 0 HB3 GLU A 78 79.214 76.374 35.597 1.00 0.00 H new ATOM 0 HG2 GLU A 78 80.256 78.275 36.962 1.00 0.00 H new ATOM 0 HG3 GLU A 78 79.136 79.364 36.168 1.00 0.00 H new ATOM 1280 N LEU A 79 82.360 77.780 35.750 1.00 0.00 N ATOM 1281 CA LEU A 79 83.470 77.250 36.500 1.00 0.00 C ATOM 1282 C LEU A 79 83.510 77.810 37.880 1.00 0.00 C ATOM 1283 O LEU A 79 83.360 79.020 38.070 1.00 0.00 O ATOM 1284 CB LEU A 79 84.770 77.430 35.740 1.00 0.00 C ATOM 1285 CG LEU A 79 85.080 78.890 35.380 1.00 0.00 C ATOM 1286 CD1 LEU A 79 86.480 78.990 34.820 1.00 0.00 C ATOM 1287 CD2 LEU A 79 84.150 79.390 34.280 1.00 0.00 C ATOM 0 H LEU A 79 82.221 78.788 35.826 1.00 0.00 H new ATOM 0 HA LEU A 79 83.329 76.176 36.619 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.589 77.032 36.339 1.00 0.00 H new ATOM 0 HB3 LEU A 79 84.729 76.840 34.824 1.00 0.00 H new ATOM 0 HG LEU A 79 84.959 79.480 36.288 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.697 80.027 34.566 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.196 78.642 35.565 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.559 78.373 33.925 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.390 80.427 34.044 1.00 0.00 H new ATOM 0 HD22 LEU A 79 84.277 78.776 33.389 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.116 79.326 34.620 1.00 0.00 H new ATOM 1299 N HIS A 80 83.760 76.930 38.830 1.00 0.00 N ATOM 1300 CA HIS A 80 83.580 77.230 40.240 1.00 0.00 C ATOM 1301 C HIS A 80 84.920 77.360 40.890 1.00 0.00 C ATOM 1302 O HIS A 80 85.710 76.430 40.770 1.00 0.00 O ATOM 1303 CB HIS A 80 82.760 76.160 40.940 1.00 0.00 C ATOM 1304 CG HIS A 80 81.380 76.090 40.400 1.00 0.00 C ATOM 1305 ND1 HIS A 80 81.040 75.450 39.200 1.00 0.00 N ATOM 1306 CD2 HIS A 80 80.300 76.660 40.970 1.00 0.00 C ATOM 1307 CE1 HIS A 80 79.720 75.650 39.060 1.00 0.00 C ATOM 1308 NE2 HIS A 80 79.300 76.340 40.100 1.00 0.00 N ATOM 0 H HIS A 80 84.095 75.984 38.647 1.00 0.00 H new ATOM 0 HA HIS A 80 83.033 78.169 40.325 1.00 0.00 H new ATOM 0 HB2 HIS A 80 83.247 75.192 40.822 1.00 0.00 H new ATOM 0 HB3 HIS A 80 82.723 76.370 42.009 1.00 0.00 H new ATOM 0 HD1 HIS A 80 81.661 74.942 38.570 1.00 0.00 H new ATOM 0 HD2 HIS A 80 80.241 77.228 41.887 1.00 0.00 H new ATOM 0 HE1 HIS A 80 79.109 75.305 38.238 1.00 0.00 H new ATOM 1316 N ILE A 81 85.160 78.530 41.510 1.00 0.00 N ATOM 1317 CA ILE A 81 86.530 79.030 41.750 1.00 0.00 C ATOM 1318 C ILE A 81 87.620 78.410 40.850 1.00 0.00 C ATOM 1319 O ILE A 81 88.280 77.460 41.260 1.00 0.00 O ATOM 1320 CB ILE A 81 86.880 78.880 43.210 1.00 0.00 C ATOM 1321 CG1 ILE A 81 88.220 79.550 43.500 1.00 0.00 C ATOM 1322 CG2 ILE A 81 86.830 77.450 43.700 1.00 0.00 C ATOM 1323 CD1 ILE A 81 88.530 79.620 44.960 1.00 0.00 C ATOM 0 H ILE A 81 84.425 79.148 41.854 1.00 0.00 H new ATOM 0 HA ILE A 81 86.516 80.084 41.471 1.00 0.00 H new ATOM 0 HB ILE A 81 86.107 79.393 43.782 1.00 0.00 H new ATOM 0 HG12 ILE A 81 89.013 79.001 42.991 1.00 0.00 H new ATOM 0 HG13 ILE A 81 88.214 80.558 43.086 1.00 0.00 H new ATOM 0 HG21 ILE A 81 87.093 77.418 44.757 1.00 0.00 H new ATOM 0 HG22 ILE A 81 85.824 77.054 43.564 1.00 0.00 H new ATOM 0 HG23 ILE A 81 87.537 76.846 43.132 1.00 0.00 H new ATOM 0 HD11 ILE A 81 89.495 80.106 45.104 1.00 0.00 H new ATOM 0 HD12 ILE A 81 87.755 80.193 45.469 1.00 0.00 H new ATOM 0 HD13 ILE A 81 88.567 78.612 45.373 1.00 0.00 H new ATOM 1335 N ILE A 82 87.750 78.950 39.630 1.00 0.00 N ATOM 1336 CA ILE A 82 88.910 78.730 38.720 1.00 0.00 C ATOM 1337 C ILE A 82 90.300 78.780 39.430 1.00 0.00 C ATOM 1338 O ILE A 82 91.360 78.700 38.760 1.00 0.00 O ATOM 1339 CB ILE A 82 88.840 79.700 37.520 1.00 0.00 C ATOM 1340 CG1 ILE A 82 89.830 79.300 36.410 1.00 0.00 C ATOM 1341 CG2 ILE A 82 89.090 81.130 38.020 1.00 0.00 C ATOM 1342 CD1 ILE A 82 89.640 80.020 35.080 1.00 0.00 C ATOM 1343 OXT ILE A 82 90.370 78.990 40.640 1.00 0.00 O ATOM 0 H ILE A 82 87.043 79.567 39.229 1.00 0.00 H new ATOM 0 HA ILE A 82 88.826 77.706 38.355 1.00 0.00 H new ATOM 0 HB ILE A 82 87.847 79.649 37.074 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.844 79.487 36.765 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.745 78.227 36.239 1.00 0.00 H new ATOM 0 HG21 ILE A 82 89.043 81.823 37.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 88.330 81.397 38.754 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.076 81.187 38.482 1.00 0.00 H new ATOM 0 HD11 ILE A 82 90.385 79.668 34.366 1.00 0.00 H new ATOM 0 HD12 ILE A 82 88.642 79.814 34.694 1.00 0.00 H new ATOM 0 HD13 ILE A 82 89.757 81.094 35.227 1.00 0.00 H new TER 1355 ILE A 82