USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 60 ASN : amide:sc= 0.945 K(o=2.2,f=-2.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.23 K(o=2.2,f=-0.7) USER MOD Set 2.1: A 55 THR OG1 : rot -65:sc= 2.21 USER MOD Set 2.2: A 57 SER OG : rot -60:sc= 1.25 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -125:sc= 0.723 (180deg=-2.31!) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.0248 K(o=0.7,f=-0.87) USER MOD Set 4.1: A 7 THR OG1 : rot -76:sc= 1.13 USER MOD Set 4.2: A 9 THR OG1 : rot 21:sc= 0.22 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.037) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.09 (180deg=0.882) USER MOD Single : A 2 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.09 (180deg=0.91) USER MOD Single : A 12 THR OG1 : rot 21:sc= 0.121 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= 1.17 (180deg=0.885) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.94 (180deg=1.25) USER MOD Single : A 40 GLN : amide:sc= -0.0718 K(o=-0.072,f=-0.79) USER MOD Single : A 41 GLN : amide:sc= 0.0693 K(o=0.069,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.95 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= 1.29 (180deg=0.808) USER MOD Single : A 65 SER OG : rot 98:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.720 30.930 15.640 1.00 0.00 N ATOM 2 CA MET A 1 13.610 30.870 17.110 1.00 0.00 C ATOM 3 C MET A 1 14.950 31.320 17.680 1.00 0.00 C ATOM 4 O MET A 1 15.960 31.050 17.030 1.00 0.00 O ATOM 5 CB MET A 1 13.240 29.410 17.400 1.00 0.00 C ATOM 6 CG MET A 1 13.460 29.020 18.860 1.00 0.00 C ATOM 7 SD MET A 1 12.980 27.280 19.090 1.00 0.00 S ATOM 8 CE MET A 1 14.510 26.410 18.680 1.00 0.00 C ATOM 0 H1 MET A 1 12.935 30.400 15.211 1.00 0.00 H new ATOM 0 H2 MET A 1 13.679 31.922 15.329 1.00 0.00 H new ATOM 0 H3 MET A 1 14.624 30.511 15.342 1.00 0.00 H new ATOM 0 HA MET A 1 12.861 31.518 17.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.194 29.247 17.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.834 28.756 16.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.506 29.161 19.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.870 29.662 19.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.433 25.370 18.997 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.674 26.450 17.603 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.347 26.884 19.193 1.00 0.00 H new ATOM 20 N GLN A 2 15.030 31.890 18.890 1.00 0.00 N ATOM 21 CA GLN A 2 16.250 32.370 19.500 1.00 0.00 C ATOM 22 C GLN A 2 16.770 31.310 20.480 1.00 0.00 C ATOM 23 O GLN A 2 16.040 30.760 21.290 1.00 0.00 O ATOM 24 CB GLN A 2 16.010 33.670 20.270 1.00 0.00 C ATOM 25 CG GLN A 2 15.650 34.860 19.390 1.00 0.00 C ATOM 26 CD GLN A 2 15.650 36.180 20.160 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.880 37.190 19.500 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.390 36.290 21.460 1.00 0.00 N ATOM 0 H GLN A 2 14.211 32.028 19.482 1.00 0.00 H new ATOM 0 HA GLN A 2 16.976 32.560 18.710 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.208 33.510 20.990 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.907 33.912 20.840 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.359 34.925 18.565 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.665 34.699 18.952 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.198 35.455 22.014 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.382 37.209 21.903 1.00 0.00 H new ATOM 37 N ILE A 3 18.070 31.040 20.390 1.00 0.00 N ATOM 38 CA ILE A 3 18.830 30.390 21.450 1.00 0.00 C ATOM 39 C ILE A 3 20.100 31.190 21.760 1.00 0.00 C ATOM 40 O ILE A 3 20.460 32.040 20.950 1.00 0.00 O ATOM 41 CB ILE A 3 19.040 28.890 21.290 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.880 28.550 20.060 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.740 28.090 21.360 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.080 27.640 20.300 1.00 0.00 C ATOM 0 H ILE A 3 18.630 31.270 19.569 1.00 0.00 H new ATOM 0 HA ILE A 3 18.201 30.414 22.340 1.00 0.00 H new ATOM 0 HB ILE A 3 19.621 28.574 22.156 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.232 28.077 19.322 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.238 29.481 19.620 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.959 27.029 21.239 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.263 28.254 22.326 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.069 28.415 20.565 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.600 27.468 19.358 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.760 28.113 21.009 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.739 26.687 20.706 1.00 0.00 H new ATOM 56 N PHE A 4 20.790 30.880 22.860 1.00 0.00 N ATOM 57 CA PHE A 4 21.910 31.650 23.350 1.00 0.00 C ATOM 58 C PHE A 4 23.130 30.800 23.710 1.00 0.00 C ATOM 59 O PHE A 4 22.940 29.650 24.110 1.00 0.00 O ATOM 60 CB PHE A 4 21.650 32.350 24.690 1.00 0.00 C ATOM 61 CG PHE A 4 20.420 33.220 24.630 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.340 34.240 23.670 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.320 33.000 25.480 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.190 35.040 23.580 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.170 33.780 25.330 1.00 0.00 C ATOM 66 CZ PHE A 4 18.070 34.820 24.390 1.00 0.00 C ATOM 0 H PHE A 4 20.573 30.069 23.439 1.00 0.00 H new ATOM 0 HA PHE A 4 22.069 32.334 22.517 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.530 31.603 25.475 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.514 32.958 24.958 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.167 34.411 22.997 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.364 32.235 26.241 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.169 35.849 22.865 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.321 33.574 25.965 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.176 35.418 24.298 1.00 0.00 H new ATOM 76 N VAL A 5 24.360 31.280 23.530 1.00 0.00 N ATOM 77 CA VAL A 5 25.560 30.470 23.460 1.00 0.00 C ATOM 78 C VAL A 5 26.440 31.280 24.410 1.00 0.00 C ATOM 79 O VAL A 5 27.070 32.230 23.940 1.00 0.00 O ATOM 80 CB VAL A 5 26.010 30.260 22.020 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.450 29.750 21.960 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.000 29.320 21.380 1.00 0.00 C ATOM 0 H VAL A 5 24.547 32.277 23.426 1.00 0.00 H new ATOM 0 HA VAL A 5 25.512 29.424 23.763 1.00 0.00 H new ATOM 0 HB VAL A 5 26.030 31.196 21.462 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.743 29.610 20.920 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.113 30.477 22.429 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.522 28.799 22.489 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.280 29.137 20.342 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.987 28.375 21.924 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.009 29.773 21.415 1.00 0.00 H new ATOM 92 N LYS A 6 26.490 30.900 25.680 1.00 0.00 N ATOM 93 CA LYS A 6 27.410 31.410 26.680 1.00 0.00 C ATOM 94 C LYS A 6 28.800 30.790 26.510 1.00 0.00 C ATOM 95 O LYS A 6 29.020 29.590 26.350 1.00 0.00 O ATOM 96 CB LYS A 6 26.900 31.000 28.060 1.00 0.00 C ATOM 97 CG LYS A 6 27.490 31.880 29.150 1.00 0.00 C ATOM 98 CD LYS A 6 26.970 31.620 30.560 1.00 0.00 C ATOM 99 CE LYS A 6 26.700 32.770 31.530 1.00 0.00 C ATOM 100 NZ LYS A 6 26.240 32.390 32.880 1.00 0.00 N ATOM 0 H LYS A 6 25.858 30.193 26.056 1.00 0.00 H new ATOM 0 HA LYS A 6 27.474 32.493 26.571 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.812 31.068 28.083 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.158 29.958 28.251 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.572 31.750 29.151 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.295 32.922 28.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.038 31.065 30.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.685 30.956 31.045 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.615 33.354 31.632 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.951 33.425 31.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.089 33.247 33.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.347 31.862 32.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.959 31.793 33.337 1.00 0.00 H new ATOM 114 N THR A 7 29.800 31.650 26.650 1.00 0.00 N ATOM 115 CA THR A 7 31.200 31.290 26.570 1.00 0.00 C ATOM 116 C THR A 7 31.670 31.040 28.000 1.00 0.00 C ATOM 117 O THR A 7 31.080 31.430 29.000 1.00 0.00 O ATOM 118 CB THR A 7 31.940 32.440 25.890 1.00 0.00 C ATOM 119 OG1 THR A 7 31.690 33.640 26.580 1.00 0.00 O ATOM 120 CG2 THR A 7 31.540 32.720 24.440 1.00 0.00 C ATOM 0 H THR A 7 29.650 32.643 26.827 1.00 0.00 H new ATOM 0 HA THR A 7 31.387 30.391 25.983 1.00 0.00 H new ATOM 0 HB THR A 7 32.982 32.121 25.903 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.790 33.961 26.362 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.126 33.555 24.056 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.728 31.834 23.833 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.480 32.971 24.397 1.00 0.00 H new ATOM 128 N LEU A 8 32.860 30.470 28.150 1.00 0.00 N ATOM 129 CA LEU A 8 33.670 30.420 29.360 1.00 0.00 C ATOM 130 C LEU A 8 34.250 31.790 29.690 1.00 0.00 C ATOM 131 O LEU A 8 34.630 31.990 30.850 1.00 0.00 O ATOM 132 CB LEU A 8 34.810 29.450 29.060 1.00 0.00 C ATOM 133 CG LEU A 8 34.410 28.030 28.700 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.710 27.240 28.490 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.660 27.400 29.870 1.00 0.00 C ATOM 0 H LEU A 8 33.317 29.996 27.371 1.00 0.00 H new ATOM 0 HA LEU A 8 33.068 30.106 30.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.399 29.858 28.238 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.464 29.411 29.931 1.00 0.00 H new ATOM 0 HG LEU A 8 33.777 28.022 27.813 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.471 26.209 28.228 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.286 27.695 27.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.297 27.255 29.408 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.373 26.381 29.612 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.305 27.384 30.749 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.766 27.985 30.086 1.00 0.00 H new ATOM 147 N THR A 9 34.250 32.710 28.730 1.00 0.00 N ATOM 148 CA THR A 9 34.730 34.060 28.980 1.00 0.00 C ATOM 149 C THR A 9 33.630 35.020 29.430 1.00 0.00 C ATOM 150 O THR A 9 34.010 36.040 29.980 1.00 0.00 O ATOM 151 CB THR A 9 35.490 34.450 27.710 1.00 0.00 C ATOM 152 OG1 THR A 9 34.700 34.250 26.560 1.00 0.00 O ATOM 153 CG2 THR A 9 36.870 33.800 27.570 1.00 0.00 C ATOM 0 H THR A 9 33.924 32.544 27.778 1.00 0.00 H new ATOM 0 HA THR A 9 35.401 34.115 29.837 1.00 0.00 H new ATOM 0 HB THR A 9 35.693 35.516 27.811 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.753 34.229 26.813 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.336 34.132 26.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.496 34.089 28.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.761 32.716 27.553 1.00 0.00 H new ATOM 161 N GLY A 10 32.370 34.600 29.410 1.00 0.00 N ATOM 162 CA GLY A 10 31.270 35.210 30.130 1.00 0.00 C ATOM 163 C GLY A 10 30.170 35.830 29.270 1.00 0.00 C ATOM 164 O GLY A 10 29.090 36.100 29.790 1.00 0.00 O ATOM 0 H GLY A 10 32.080 33.788 28.865 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.819 34.454 30.773 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.674 35.984 30.783 1.00 0.00 H new ATOM 168 N LYS A 11 30.530 36.060 28.010 1.00 0.00 N ATOM 169 CA LYS A 11 29.740 36.680 26.970 1.00 0.00 C ATOM 170 C LYS A 11 28.730 35.640 26.470 1.00 0.00 C ATOM 171 O LYS A 11 29.090 34.470 26.400 1.00 0.00 O ATOM 172 CB LYS A 11 30.560 37.030 25.730 1.00 0.00 C ATOM 173 CG LYS A 11 29.970 37.930 24.640 1.00 0.00 C ATOM 174 CD LYS A 11 30.910 38.000 23.430 1.00 0.00 C ATOM 175 CE LYS A 11 30.380 38.750 22.210 1.00 0.00 C ATOM 176 NZ LYS A 11 31.320 39.010 21.110 1.00 0.00 N ATOM 0 H LYS A 11 31.455 35.794 27.672 1.00 0.00 H new ATOM 0 HA LYS A 11 29.304 37.582 27.400 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.480 37.502 26.075 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.842 36.091 25.255 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.998 37.546 24.330 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.805 38.931 25.038 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.841 38.472 23.745 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.156 36.982 23.127 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.539 38.185 21.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.987 39.708 22.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.812 39.448 20.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.069 39.652 21.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.745 38.114 20.797 1.00 0.00 H new ATOM 190 N THR A 12 27.520 36.020 26.080 1.00 0.00 N ATOM 191 CA THR A 12 26.490 35.230 25.440 1.00 0.00 C ATOM 192 C THR A 12 26.410 35.620 23.960 1.00 0.00 C ATOM 193 O THR A 12 26.250 36.800 23.640 1.00 0.00 O ATOM 194 CB THR A 12 25.120 35.350 26.120 1.00 0.00 C ATOM 195 OG1 THR A 12 24.590 36.650 26.010 1.00 0.00 O ATOM 196 CG2 THR A 12 25.190 34.960 27.600 1.00 0.00 C ATOM 0 H THR A 12 27.211 36.982 26.220 1.00 0.00 H new ATOM 0 HA THR A 12 26.769 34.181 25.536 1.00 0.00 H new ATOM 0 HB THR A 12 24.460 34.657 25.598 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.023 37.118 25.266 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.202 35.057 28.049 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.529 33.928 27.689 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.889 35.617 28.117 1.00 0.00 H new ATOM 204 N ILE A 13 26.590 34.700 23.020 1.00 0.00 N ATOM 205 CA ILE A 13 26.400 34.950 21.600 1.00 0.00 C ATOM 206 C ILE A 13 24.920 34.620 21.410 1.00 0.00 C ATOM 207 O ILE A 13 24.380 33.750 22.080 1.00 0.00 O ATOM 208 CB ILE A 13 27.290 33.920 20.910 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.790 33.810 21.230 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.130 34.100 19.410 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.600 35.100 21.130 1.00 0.00 C ATOM 0 H ILE A 13 26.877 33.744 23.229 1.00 0.00 H new ATOM 0 HA ILE A 13 26.639 35.945 21.225 1.00 0.00 H new ATOM 0 HB ILE A 13 26.919 32.987 21.333 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.896 33.417 22.241 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.231 33.076 20.555 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.756 33.376 18.888 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.087 33.944 19.134 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.432 35.109 19.130 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.642 34.896 21.378 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.539 35.490 20.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.199 35.836 21.826 1.00 0.00 H new ATOM 223 N THR A 14 24.210 35.300 20.510 1.00 0.00 N ATOM 224 CA THR A 14 22.830 34.900 20.280 1.00 0.00 C ATOM 225 C THR A 14 22.700 34.250 18.900 1.00 0.00 C ATOM 226 O THR A 14 23.320 34.690 17.930 1.00 0.00 O ATOM 227 CB THR A 14 22.070 36.230 20.320 1.00 0.00 C ATOM 228 OG1 THR A 14 22.070 36.740 21.640 1.00 0.00 O ATOM 229 CG2 THR A 14 20.660 36.120 19.740 1.00 0.00 C ATOM 0 H THR A 14 24.547 36.088 19.957 1.00 0.00 H new ATOM 0 HA THR A 14 22.459 34.175 21.004 1.00 0.00 H new ATOM 0 HB THR A 14 22.591 36.938 19.676 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.585 37.591 21.662 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.168 37.091 19.794 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.718 35.800 18.700 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.087 35.391 20.312 1.00 0.00 H new ATOM 237 N LEU A 15 21.930 33.160 18.890 1.00 0.00 N ATOM 238 CA LEU A 15 21.950 32.140 17.870 1.00 0.00 C ATOM 239 C LEU A 15 20.520 32.050 17.320 1.00 0.00 C ATOM 240 O LEU A 15 19.590 31.540 17.930 1.00 0.00 O ATOM 241 CB LEU A 15 22.480 30.830 18.460 1.00 0.00 C ATOM 242 CG LEU A 15 23.810 30.350 17.900 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.800 30.210 16.380 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.940 31.300 18.300 1.00 0.00 C ATOM 0 H LEU A 15 21.252 32.967 19.627 1.00 0.00 H new ATOM 0 HA LEU A 15 22.624 32.373 17.045 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.583 30.953 19.538 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.735 30.051 18.298 1.00 0.00 H new ATOM 0 HG LEU A 15 23.976 29.362 18.328 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.776 29.864 16.040 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.037 29.489 16.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.579 31.177 15.927 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.882 30.938 17.889 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.733 32.296 17.910 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.011 31.344 19.387 1.00 0.00 H new ATOM 256 N GLU A 16 20.270 32.670 16.170 1.00 0.00 N ATOM 257 CA GLU A 16 19.030 32.870 15.450 1.00 0.00 C ATOM 258 C GLU A 16 18.770 31.660 14.550 1.00 0.00 C ATOM 259 O GLU A 16 19.570 31.470 13.640 1.00 0.00 O ATOM 260 CB GLU A 16 19.030 34.230 14.740 1.00 0.00 C ATOM 261 CG GLU A 16 20.000 34.670 13.650 1.00 0.00 C ATOM 262 CD GLU A 16 21.480 34.650 14.010 1.00 0.00 C ATOM 263 OE1 GLU A 16 22.030 33.540 14.220 1.00 0.00 O ATOM 264 OE2 GLU A 16 22.060 35.750 14.020 1.00 0.00 O ATOM 0 H GLU A 16 21.042 33.099 15.659 1.00 0.00 H new ATOM 0 HA GLU A 16 18.182 32.922 16.133 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.034 34.338 14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.118 34.975 15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.851 34.028 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.736 35.683 13.347 1.00 0.00 H new ATOM 271 N VAL A 17 17.830 30.770 14.860 1.00 0.00 N ATOM 272 CA VAL A 17 17.790 29.430 14.310 1.00 0.00 C ATOM 273 C VAL A 17 16.400 28.810 14.400 1.00 0.00 C ATOM 274 O VAL A 17 15.520 29.230 15.160 1.00 0.00 O ATOM 275 CB VAL A 17 18.800 28.510 15.010 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.290 28.860 14.900 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.410 28.250 16.460 1.00 0.00 C ATOM 0 H VAL A 17 17.068 30.968 15.509 1.00 0.00 H new ATOM 0 HA VAL A 17 18.056 29.526 13.257 1.00 0.00 H new ATOM 0 HB VAL A 17 18.721 27.597 14.421 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.878 28.121 15.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.587 28.860 13.851 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.464 29.848 15.327 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.148 27.595 16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.373 29.195 17.002 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.430 27.774 16.493 1.00 0.00 H new ATOM 287 N GLU A 18 16.120 27.780 13.620 1.00 0.00 N ATOM 288 CA GLU A 18 14.880 27.020 13.620 1.00 0.00 C ATOM 289 C GLU A 18 15.040 25.750 14.460 1.00 0.00 C ATOM 290 O GLU A 18 16.170 25.290 14.570 1.00 0.00 O ATOM 291 CB GLU A 18 14.520 26.650 12.180 1.00 0.00 C ATOM 292 CG GLU A 18 13.030 26.460 11.870 1.00 0.00 C ATOM 293 CD GLU A 18 12.590 26.450 10.410 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.360 26.010 9.540 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.590 27.110 10.030 1.00 0.00 O ATOM 0 H GLU A 18 16.788 27.432 12.932 1.00 0.00 H new ATOM 0 HA GLU A 18 14.084 27.625 14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.908 27.427 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.041 25.727 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.715 25.518 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.481 27.254 12.377 1.00 0.00 H new ATOM 302 N PRO A 19 14.020 25.150 15.070 1.00 0.00 N ATOM 303 CA PRO A 19 14.140 23.820 15.620 1.00 0.00 C ATOM 304 C PRO A 19 14.680 22.690 14.740 1.00 0.00 C ATOM 305 O PRO A 19 15.180 21.720 15.310 1.00 0.00 O ATOM 306 CB PRO A 19 12.810 23.520 16.310 1.00 0.00 C ATOM 307 CG PRO A 19 11.900 24.760 16.290 1.00 0.00 C ATOM 308 CD PRO A 19 12.660 25.610 15.260 1.00 0.00 C ATOM 0 HA PRO A 19 14.975 23.839 16.321 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.313 22.689 15.809 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.990 23.210 17.339 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.883 24.529 15.975 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.829 25.245 17.264 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.132 25.582 14.307 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.672 26.650 15.587 1.00 0.00 H new ATOM 316 N SER A 20 14.460 22.740 13.430 1.00 0.00 N ATOM 317 CA SER A 20 14.940 21.810 12.430 1.00 0.00 C ATOM 318 C SER A 20 16.320 22.200 11.900 1.00 0.00 C ATOM 319 O SER A 20 16.810 21.460 11.060 1.00 0.00 O ATOM 320 CB SER A 20 13.900 21.750 11.300 1.00 0.00 C ATOM 321 OG SER A 20 13.560 23.010 10.790 1.00 0.00 O ATOM 0 H SER A 20 13.901 23.487 13.017 1.00 0.00 H new ATOM 0 HA SER A 20 15.061 20.824 12.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.289 21.131 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.999 21.261 11.671 1.00 0.00 H new ATOM 0 HG SER A 20 12.898 22.906 10.075 1.00 0.00 H new ATOM 327 N ASP A 21 16.950 23.260 12.400 1.00 0.00 N ATOM 328 CA ASP A 21 18.350 23.540 12.160 1.00 0.00 C ATOM 329 C ASP A 21 19.210 22.700 13.120 1.00 0.00 C ATOM 330 O ASP A 21 18.800 22.320 14.210 1.00 0.00 O ATOM 331 CB ASP A 21 18.720 25.000 12.440 1.00 0.00 C ATOM 332 CG ASP A 21 18.110 26.010 11.480 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.470 25.680 10.460 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.360 27.210 11.720 1.00 0.00 O ATOM 0 H ASP A 21 16.490 23.953 12.990 1.00 0.00 H new ATOM 0 HA ASP A 21 18.530 23.309 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.409 25.251 13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.805 25.098 12.406 1.00 0.00 H new ATOM 339 N THR A 22 20.330 22.190 12.620 1.00 0.00 N ATOM 340 CA THR A 22 21.260 21.280 13.260 1.00 0.00 C ATOM 341 C THR A 22 22.180 22.060 14.190 1.00 0.00 C ATOM 342 O THR A 22 22.480 23.220 13.900 1.00 0.00 O ATOM 343 CB THR A 22 22.160 20.720 12.160 1.00 0.00 C ATOM 344 OG1 THR A 22 22.860 21.680 11.400 1.00 0.00 O ATOM 345 CG2 THR A 22 21.320 19.820 11.250 1.00 0.00 C ATOM 0 H THR A 22 20.632 22.426 11.675 1.00 0.00 H new ATOM 0 HA THR A 22 20.712 20.513 13.807 1.00 0.00 H new ATOM 0 HB THR A 22 22.945 20.158 12.666 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.408 21.227 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.950 19.413 10.459 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.898 19.003 11.835 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.513 20.403 10.807 1.00 0.00 H new ATOM 353 N ILE A 23 22.800 21.390 15.150 1.00 0.00 N ATOM 354 CA ILE A 23 23.850 21.900 16.010 1.00 0.00 C ATOM 355 C ILE A 23 25.200 22.100 15.330 1.00 0.00 C ATOM 356 O ILE A 23 26.030 22.780 15.930 1.00 0.00 O ATOM 357 CB ILE A 23 23.970 20.760 17.030 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.700 20.630 17.880 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.160 20.800 17.980 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.370 19.170 18.170 1.00 0.00 C ATOM 0 H ILE A 23 22.568 20.419 15.359 1.00 0.00 H new ATOM 0 HA ILE A 23 23.604 22.890 16.395 1.00 0.00 H new ATOM 0 HB ILE A 23 24.128 19.897 16.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.832 21.168 18.819 1.00 0.00 H new ATOM 0 HG13 ILE A 23 21.863 21.097 17.360 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.123 19.938 18.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.086 20.775 17.405 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.124 21.716 18.570 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.465 19.115 18.774 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.213 18.639 17.231 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.197 18.711 18.712 1.00 0.00 H new ATOM 372 N GLU A 24 25.400 21.540 14.130 1.00 0.00 N ATOM 373 CA GLU A 24 26.570 21.870 13.350 1.00 0.00 C ATOM 374 C GLU A 24 26.490 23.090 12.430 1.00 0.00 C ATOM 375 O GLU A 24 27.490 23.740 12.120 1.00 0.00 O ATOM 376 CB GLU A 24 26.710 20.630 12.470 1.00 0.00 C ATOM 377 CG GLU A 24 28.170 20.410 12.080 1.00 0.00 C ATOM 378 CD GLU A 24 28.370 19.350 11.010 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.760 18.270 11.110 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.090 19.690 10.050 1.00 0.00 O ATOM 0 H GLU A 24 24.769 20.867 13.694 1.00 0.00 H new ATOM 0 HA GLU A 24 27.386 22.128 14.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.334 19.756 13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.101 20.743 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.587 21.353 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.734 20.126 12.968 1.00 0.00 H new ATOM 387 N ASN A 25 25.230 23.440 12.190 1.00 0.00 N ATOM 388 CA ASN A 25 24.820 24.700 11.610 1.00 0.00 C ATOM 389 C ASN A 25 25.170 25.780 12.630 1.00 0.00 C ATOM 390 O ASN A 25 25.830 26.740 12.240 1.00 0.00 O ATOM 391 CB ASN A 25 23.410 24.640 11.020 1.00 0.00 C ATOM 392 CG ASN A 25 22.980 26.000 10.500 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.350 26.410 9.400 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.260 26.780 11.310 1.00 0.00 N ATOM 0 H ASN A 25 24.443 22.827 12.404 1.00 0.00 H new ATOM 0 HA ASN A 25 25.362 24.969 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.382 23.911 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.708 24.299 11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.011 27.726 11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.958 26.430 12.219 1.00 0.00 H new ATOM 401 N VAL A 26 24.870 25.600 13.920 1.00 0.00 N ATOM 402 CA VAL A 26 25.220 26.340 15.110 1.00 0.00 C ATOM 403 C VAL A 26 26.740 26.420 15.210 1.00 0.00 C ATOM 404 O VAL A 26 27.240 27.520 15.420 1.00 0.00 O ATOM 405 CB VAL A 26 24.530 25.770 16.350 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.990 26.450 17.640 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.010 25.840 16.190 1.00 0.00 C ATOM 0 H VAL A 26 24.285 24.805 14.177 1.00 0.00 H new ATOM 0 HA VAL A 26 24.848 27.363 15.045 1.00 0.00 H new ATOM 0 HB VAL A 26 24.823 24.724 16.437 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.470 26.008 18.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.064 26.312 17.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.764 27.515 17.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.531 25.431 17.080 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.705 26.878 16.059 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.709 25.261 15.317 1.00 0.00 H new ATOM 417 N LYS A 27 27.490 25.360 14.910 1.00 0.00 N ATOM 418 CA LYS A 27 28.930 25.540 15.000 1.00 0.00 C ATOM 419 C LYS A 27 29.430 26.390 13.830 1.00 0.00 C ATOM 420 O LYS A 27 30.430 27.070 14.030 1.00 0.00 O ATOM 421 CB LYS A 27 29.620 24.180 15.010 1.00 0.00 C ATOM 422 CG LYS A 27 29.440 23.360 16.280 1.00 0.00 C ATOM 423 CD LYS A 27 30.000 21.940 16.130 1.00 0.00 C ATOM 424 CE LYS A 27 30.060 21.230 17.480 1.00 0.00 C ATOM 425 NZ LYS A 27 30.580 19.860 17.500 1.00 0.00 N ATOM 0 H LYS A 27 27.157 24.439 14.625 1.00 0.00 H new ATOM 0 HA LYS A 27 29.169 26.060 15.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.248 23.598 14.167 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.687 24.333 14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.939 23.861 17.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.381 23.308 16.531 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.375 21.370 15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.998 21.983 15.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.673 21.833 18.150 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.053 21.214 17.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.882 19.230 17.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.761 19.543 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.466 19.833 18.043 1.00 0.00 H new ATOM 439 N ALA A 28 28.910 26.230 12.620 1.00 0.00 N ATOM 440 CA ALA A 28 29.210 27.100 11.500 1.00 0.00 C ATOM 441 C ALA A 28 28.730 28.550 11.580 1.00 0.00 C ATOM 442 O ALA A 28 29.420 29.450 11.110 1.00 0.00 O ATOM 443 CB ALA A 28 28.570 26.650 10.180 1.00 0.00 C ATOM 0 H ALA A 28 28.259 25.480 12.390 1.00 0.00 H new ATOM 0 HA ALA A 28 30.297 27.037 11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.839 27.349 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.930 25.654 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.486 26.627 10.291 1.00 0.00 H new ATOM 449 N LYS A 29 27.600 28.730 12.260 1.00 0.00 N ATOM 450 CA LYS A 29 27.180 30.030 12.750 1.00 0.00 C ATOM 451 C LYS A 29 28.210 30.680 13.670 1.00 0.00 C ATOM 452 O LYS A 29 28.480 31.870 13.530 1.00 0.00 O ATOM 453 CB LYS A 29 25.840 30.030 13.490 1.00 0.00 C ATOM 454 CG LYS A 29 24.720 30.220 12.470 1.00 0.00 C ATOM 455 CD LYS A 29 23.250 30.240 12.910 1.00 0.00 C ATOM 456 CE LYS A 29 22.300 30.840 11.870 1.00 0.00 C ATOM 457 NZ LYS A 29 22.210 32.310 11.850 1.00 0.00 N ATOM 0 H LYS A 29 26.953 27.974 12.484 1.00 0.00 H new ATOM 0 HA LYS A 29 27.071 30.607 11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.706 29.092 14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.817 30.829 14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.913 31.161 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.822 29.425 11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.933 29.221 13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.166 30.809 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.614 30.502 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.302 30.437 12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.267 32.596 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.366 32.680 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.934 32.693 11.209 1.00 0.00 H new ATOM 471 N ILE A 30 28.820 29.990 14.630 1.00 0.00 N ATOM 472 CA ILE A 30 29.760 30.480 15.620 1.00 0.00 C ATOM 473 C ILE A 30 30.990 31.190 15.040 1.00 0.00 C ATOM 474 O ILE A 30 31.320 32.270 15.520 1.00 0.00 O ATOM 475 CB ILE A 30 30.010 29.530 16.790 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.800 29.490 17.730 1.00 0.00 C ATOM 477 CG2 ILE A 30 31.270 29.810 17.600 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.610 28.190 18.510 1.00 0.00 C ATOM 0 H ILE A 30 28.651 28.990 14.740 1.00 0.00 H new ATOM 0 HA ILE A 30 29.235 31.302 16.107 1.00 0.00 H new ATOM 0 HB ILE A 30 30.167 28.560 16.318 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.889 30.310 18.443 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.901 29.675 17.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 31.354 29.080 18.405 1.00 0.00 H new ATOM 0 HG22 ILE A 30 32.143 29.737 16.952 1.00 0.00 H new ATOM 0 HG23 ILE A 30 31.215 30.813 18.023 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.726 28.271 19.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.482 27.362 17.812 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.486 28.008 19.132 1.00 0.00 H new ATOM 490 N GLN A 31 31.520 30.520 14.020 1.00 0.00 N ATOM 491 CA GLN A 31 32.590 31.000 13.150 1.00 0.00 C ATOM 492 C GLN A 31 32.360 32.410 12.610 1.00 0.00 C ATOM 493 O GLN A 31 33.010 33.360 13.040 1.00 0.00 O ATOM 494 CB GLN A 31 32.770 29.930 12.070 1.00 0.00 C ATOM 495 CG GLN A 31 33.820 30.280 11.020 1.00 0.00 C ATOM 496 CD GLN A 31 34.220 29.050 10.220 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.390 28.680 10.160 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.240 28.330 9.660 1.00 0.00 N ATOM 0 H GLN A 31 31.201 29.585 13.766 1.00 0.00 H new ATOM 0 HA GLN A 31 33.516 31.126 13.710 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.047 28.990 12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.814 29.766 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.428 31.044 10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.699 30.704 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.274 28.651 9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.460 27.460 9.175 1.00 0.00 H new ATOM 507 N ASP A 32 31.340 32.530 11.760 1.00 0.00 N ATOM 508 CA ASP A 32 30.820 33.760 11.200 1.00 0.00 C ATOM 509 C ASP A 32 30.500 34.900 12.160 1.00 0.00 C ATOM 510 O ASP A 32 30.920 36.000 11.820 1.00 0.00 O ATOM 511 CB ASP A 32 29.610 33.460 10.320 1.00 0.00 C ATOM 512 CG ASP A 32 29.310 34.610 9.370 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.220 35.250 8.790 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.100 34.840 9.150 1.00 0.00 O ATOM 0 H ASP A 32 30.828 31.713 11.428 1.00 0.00 H new ATOM 0 HA ASP A 32 31.661 34.149 10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.793 32.551 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.740 33.270 10.949 1.00 0.00 H new ATOM 519 N LYS A 33 30.080 34.610 13.390 1.00 0.00 N ATOM 520 CA LYS A 33 29.820 35.640 14.370 1.00 0.00 C ATOM 521 C LYS A 33 31.120 35.970 15.110 1.00 0.00 C ATOM 522 O LYS A 33 31.580 37.100 15.000 1.00 0.00 O ATOM 523 CB LYS A 33 28.710 35.160 15.310 1.00 0.00 C ATOM 524 CG LYS A 33 27.350 34.940 14.640 1.00 0.00 C ATOM 525 CD LYS A 33 26.270 34.420 15.590 1.00 0.00 C ATOM 526 CE LYS A 33 24.850 34.530 15.030 1.00 0.00 C ATOM 527 NZ LYS A 33 24.190 35.780 15.430 1.00 0.00 N ATOM 0 H LYS A 33 29.914 33.661 13.725 1.00 0.00 H new ATOM 0 HA LYS A 33 29.476 36.559 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.026 34.226 15.775 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.591 35.890 16.111 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.014 35.881 14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.470 34.233 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.478 33.376 15.825 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.325 34.975 16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.885 34.472 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.258 33.682 15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.466 36.031 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.740 35.653 16.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.895 36.542 15.488 1.00 0.00 H new ATOM 541 N GLU A 34 31.750 34.980 15.760 1.00 0.00 N ATOM 542 CA GLU A 34 32.820 35.030 16.730 1.00 0.00 C ATOM 543 C GLU A 34 34.210 34.490 16.400 1.00 0.00 C ATOM 544 O GLU A 34 35.130 34.680 17.200 1.00 0.00 O ATOM 545 CB GLU A 34 32.160 34.530 18.010 1.00 0.00 C ATOM 546 CG GLU A 34 32.870 34.800 19.340 1.00 0.00 C ATOM 547 CD GLU A 34 32.910 36.270 19.750 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.870 36.950 19.730 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.950 36.760 20.250 1.00 0.00 O ATOM 0 H GLU A 34 31.477 34.013 15.586 1.00 0.00 H new ATOM 0 HA GLU A 34 33.195 36.051 16.798 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.165 34.972 18.067 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.025 33.452 17.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.372 34.231 20.125 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.892 34.426 19.274 1.00 0.00 H new ATOM 556 N GLY A 35 34.420 33.810 15.280 1.00 0.00 N ATOM 557 CA GLY A 35 35.730 33.590 14.710 1.00 0.00 C ATOM 558 C GLY A 35 36.260 32.190 15.030 1.00 0.00 C ATOM 559 O GLY A 35 37.430 31.950 14.730 1.00 0.00 O ATOM 0 H GLY A 35 33.665 33.390 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.683 33.723 13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.424 34.338 15.094 1.00 0.00 H new ATOM 563 N ILE A 36 35.470 31.380 15.740 1.00 0.00 N ATOM 564 CA ILE A 36 35.860 30.090 16.280 1.00 0.00 C ATOM 565 C ILE A 36 35.380 28.970 15.360 1.00 0.00 C ATOM 566 O ILE A 36 34.170 28.780 15.270 1.00 0.00 O ATOM 567 CB ILE A 36 35.170 30.010 17.640 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.200 31.210 18.590 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.600 28.750 18.400 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.320 31.060 19.830 1.00 0.00 C ATOM 0 H ILE A 36 34.504 31.622 15.959 1.00 0.00 H new ATOM 0 HA ILE A 36 36.941 29.983 16.368 1.00 0.00 H new ATOM 0 HB ILE A 36 34.126 29.990 17.327 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.229 31.379 18.909 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.886 32.099 18.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.094 28.717 19.365 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.333 27.866 17.820 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.679 28.769 18.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.403 31.956 20.445 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.282 30.924 19.525 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.646 30.193 20.405 1.00 0.00 H new ATOM 582 N PRO A 37 36.250 28.260 14.660 1.00 0.00 N ATOM 583 CA PRO A 37 35.910 27.070 13.890 1.00 0.00 C ATOM 584 C PRO A 37 35.240 25.910 14.620 1.00 0.00 C ATOM 585 O PRO A 37 35.670 25.820 15.770 1.00 0.00 O ATOM 586 CB PRO A 37 37.240 26.530 13.360 1.00 0.00 C ATOM 587 CG PRO A 37 38.320 27.570 13.640 1.00 0.00 C ATOM 588 CD PRO A 37 37.680 28.530 14.640 1.00 0.00 C ATOM 0 HA PRO A 37 35.174 27.400 13.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.487 25.585 13.844 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.171 26.332 12.290 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.217 27.109 14.052 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.618 28.088 12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.109 28.391 15.632 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.870 29.564 14.353 1.00 0.00 H new ATOM 596 N PRO A 38 34.300 25.200 14.010 1.00 0.00 N ATOM 597 CA PRO A 38 33.600 24.100 14.650 1.00 0.00 C ATOM 598 C PRO A 38 34.390 23.070 15.450 1.00 0.00 C ATOM 599 O PRO A 38 33.880 22.590 16.460 1.00 0.00 O ATOM 600 CB PRO A 38 32.700 23.450 13.600 1.00 0.00 C ATOM 601 CG PRO A 38 32.590 24.520 12.520 1.00 0.00 C ATOM 602 CD PRO A 38 33.660 25.590 12.770 1.00 0.00 C ATOM 0 HA PRO A 38 33.045 24.564 15.465 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.136 22.530 13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.724 23.192 14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.725 24.075 11.534 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.597 24.969 12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.378 25.629 11.951 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.215 26.582 12.851 1.00 0.00 H new ATOM 610 N ASP A 39 35.640 22.770 15.100 1.00 0.00 N ATOM 611 CA ASP A 39 36.440 21.790 15.810 1.00 0.00 C ATOM 612 C ASP A 39 36.890 22.230 17.210 1.00 0.00 C ATOM 613 O ASP A 39 37.110 21.420 18.100 1.00 0.00 O ATOM 614 CB ASP A 39 37.690 21.490 14.990 1.00 0.00 C ATOM 615 CG ASP A 39 38.810 20.630 15.560 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.490 19.540 16.080 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.990 21.040 15.560 1.00 0.00 O ATOM 0 H ASP A 39 36.122 23.204 14.313 1.00 0.00 H new ATOM 0 HA ASP A 39 35.800 20.918 15.941 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.360 21.015 14.066 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.131 22.449 14.716 1.00 0.00 H new ATOM 622 N GLN A 40 37.160 23.530 17.300 1.00 0.00 N ATOM 623 CA GLN A 40 37.650 24.150 18.510 1.00 0.00 C ATOM 624 C GLN A 40 36.530 24.660 19.430 1.00 0.00 C ATOM 625 O GLN A 40 36.770 25.540 20.250 1.00 0.00 O ATOM 626 CB GLN A 40 38.430 25.330 17.920 1.00 0.00 C ATOM 627 CG GLN A 40 39.630 24.750 17.180 1.00 0.00 C ATOM 628 CD GLN A 40 40.430 25.910 16.600 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.570 26.960 17.220 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.980 25.700 15.410 1.00 0.00 N ATOM 0 H GLN A 40 37.041 24.181 16.524 1.00 0.00 H new ATOM 0 HA GLN A 40 38.217 23.467 19.143 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.801 25.907 17.242 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.755 26.009 18.708 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.248 24.162 17.858 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.301 24.079 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.836 24.811 14.931 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.546 26.428 14.974 1.00 0.00 H new ATOM 639 N GLN A 41 35.310 24.220 19.130 1.00 0.00 N ATOM 640 CA GLN A 41 34.190 24.500 20.010 1.00 0.00 C ATOM 641 C GLN A 41 33.890 23.170 20.710 1.00 0.00 C ATOM 642 O GLN A 41 34.140 22.100 20.170 1.00 0.00 O ATOM 643 CB GLN A 41 33.030 24.970 19.140 1.00 0.00 C ATOM 644 CG GLN A 41 33.190 26.320 18.420 1.00 0.00 C ATOM 645 CD GLN A 41 31.970 26.420 17.510 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.840 26.010 17.780 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.130 27.060 16.360 1.00 0.00 N ATOM 0 H GLN A 41 35.079 23.678 18.298 1.00 0.00 H new ATOM 0 HA GLN A 41 34.381 25.275 20.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.843 24.206 18.386 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.139 25.025 19.766 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.223 27.146 19.130 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.116 26.356 17.846 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.049 27.416 16.098 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.334 27.197 15.737 1.00 0.00 H new ATOM 656 N ARG A 42 33.260 23.190 21.870 1.00 0.00 N ATOM 657 CA ARG A 42 32.360 22.180 22.400 1.00 0.00 C ATOM 658 C ARG A 42 31.140 22.800 23.090 1.00 0.00 C ATOM 659 O ARG A 42 31.350 23.540 24.050 1.00 0.00 O ATOM 660 CB ARG A 42 33.180 21.270 23.320 1.00 0.00 C ATOM 661 CG ARG A 42 32.360 20.190 24.030 1.00 0.00 C ATOM 662 CD ARG A 42 33.150 18.920 24.330 1.00 0.00 C ATOM 663 NE ARG A 42 34.250 19.080 25.270 1.00 0.00 N ATOM 664 CZ ARG A 42 35.570 19.180 25.040 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.080 19.160 23.800 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.350 19.400 26.100 1.00 0.00 N ATOM 0 H ARG A 42 33.372 23.972 22.516 1.00 0.00 H new ATOM 0 HA ARG A 42 31.937 21.584 21.591 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.962 20.789 22.733 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.677 21.884 24.070 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.973 20.596 24.964 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.499 19.935 23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.464 18.169 24.723 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.548 18.529 23.393 1.00 0.00 H new ATOM 0 HE ARG A 42 33.977 19.123 26.252 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.460 19.067 22.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.088 19.238 23.662 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.937 19.484 27.029 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.360 19.484 25.982 1.00 0.00 H new ATOM 680 N LEU A 43 29.940 22.560 22.570 1.00 0.00 N ATOM 681 CA LEU A 43 28.620 23.020 22.960 1.00 0.00 C ATOM 682 C LEU A 43 28.000 21.880 23.770 1.00 0.00 C ATOM 683 O LEU A 43 27.640 20.860 23.190 1.00 0.00 O ATOM 684 CB LEU A 43 27.760 23.400 21.760 1.00 0.00 C ATOM 685 CG LEU A 43 28.310 24.510 20.870 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.020 24.230 19.390 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.700 25.870 21.220 1.00 0.00 C ATOM 0 H LEU A 43 29.868 21.954 21.753 1.00 0.00 H new ATOM 0 HA LEU A 43 28.687 23.933 23.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.611 22.510 21.148 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.778 23.705 22.123 1.00 0.00 H new ATOM 0 HG LEU A 43 29.386 24.535 21.043 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.424 25.039 18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.487 23.289 19.100 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.943 24.164 19.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.116 26.635 20.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.619 25.829 21.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.930 26.116 22.257 1.00 0.00 H new ATOM 699 N ILE A 44 27.870 22.000 25.090 1.00 0.00 N ATOM 700 CA ILE A 44 27.140 21.160 26.020 1.00 0.00 C ATOM 701 C ILE A 44 25.930 21.920 26.550 1.00 0.00 C ATOM 702 O ILE A 44 26.030 23.140 26.630 1.00 0.00 O ATOM 703 CB ILE A 44 28.060 20.880 27.200 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.280 22.080 28.120 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.440 20.420 26.720 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.340 22.040 29.230 1.00 0.00 C ATOM 0 H ILE A 44 28.324 22.771 25.579 1.00 0.00 H new ATOM 0 HA ILE A 44 26.818 20.243 25.526 1.00 0.00 H new ATOM 0 HB ILE A 44 27.548 20.102 27.766 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.517 22.932 27.483 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.324 22.295 28.598 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.079 20.226 27.582 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.336 19.507 26.133 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.889 21.199 26.103 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.338 22.987 29.769 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.112 21.229 29.921 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.323 21.875 28.789 1.00 0.00 H new ATOM 718 N PHE A 45 24.930 21.200 27.040 1.00 0.00 N ATOM 719 CA PHE A 45 23.850 21.580 27.920 1.00 0.00 C ATOM 720 C PHE A 45 23.990 20.810 29.240 1.00 0.00 C ATOM 721 O PHE A 45 23.220 20.970 30.180 1.00 0.00 O ATOM 722 CB PHE A 45 22.570 21.450 27.090 1.00 0.00 C ATOM 723 CG PHE A 45 21.350 22.090 27.720 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.980 23.430 27.560 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.450 21.100 28.140 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.750 23.790 28.110 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.320 21.530 28.850 1.00 0.00 C ATOM 728 CZ PHE A 45 18.910 22.870 28.730 1.00 0.00 C ATOM 0 H PHE A 45 24.855 20.213 26.794 1.00 0.00 H new ATOM 0 HA PHE A 45 23.846 22.611 28.273 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.738 21.901 26.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.365 20.393 26.923 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.608 24.141 27.043 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.619 20.055 27.927 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.438 24.822 28.053 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.773 20.843 29.479 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.951 23.182 29.116 1.00 0.00 H new ATOM 738 N ALA A 46 25.000 19.960 29.370 1.00 0.00 N ATOM 739 CA ALA A 46 25.350 19.200 30.550 1.00 0.00 C ATOM 740 C ALA A 46 26.860 19.050 30.790 1.00 0.00 C ATOM 741 O ALA A 46 27.470 20.050 31.150 1.00 0.00 O ATOM 742 CB ALA A 46 24.440 18.030 30.900 1.00 0.00 C ATOM 0 H ALA A 46 25.638 19.775 28.596 1.00 0.00 H new ATOM 0 HA ALA A 46 25.074 19.855 31.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 24.807 17.541 31.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.427 18.395 31.071 1.00 0.00 H new ATOM 0 HB3 ALA A 46 24.434 17.315 30.077 1.00 0.00 H new ATOM 748 N GLY A 47 27.490 17.890 30.660 1.00 0.00 N ATOM 749 CA GLY A 47 28.920 17.740 30.850 1.00 0.00 C ATOM 750 C GLY A 47 29.570 17.150 29.600 1.00 0.00 C ATOM 751 O GLY A 47 30.780 17.310 29.440 1.00 0.00 O ATOM 0 H GLY A 47 27.015 17.021 30.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 29.366 18.709 31.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 29.113 17.093 31.706 1.00 0.00 H new ATOM 755 N LYS A 48 28.720 16.520 28.790 1.00 0.00 N ATOM 756 CA LYS A 48 29.070 15.970 27.500 1.00 0.00 C ATOM 757 C LYS A 48 28.300 16.640 26.350 1.00 0.00 C ATOM 758 O LYS A 48 27.390 17.400 26.660 1.00 0.00 O ATOM 759 CB LYS A 48 28.810 14.470 27.370 1.00 0.00 C ATOM 760 CG LYS A 48 29.540 13.600 28.390 1.00 0.00 C ATOM 761 CD LYS A 48 29.270 12.100 28.240 1.00 0.00 C ATOM 762 CE LYS A 48 29.640 11.210 29.420 1.00 0.00 C ATOM 763 NZ LYS A 48 29.150 9.830 29.310 1.00 0.00 N ATOM 0 H LYS A 48 27.739 16.379 29.030 1.00 0.00 H new ATOM 0 HA LYS A 48 30.140 16.164 27.430 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.739 14.292 27.463 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.100 14.151 26.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.612 13.776 28.301 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.248 13.912 29.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.208 11.966 28.034 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.812 11.744 27.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.725 11.191 29.520 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.243 11.653 30.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.442 9.290 30.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.112 9.834 29.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.548 9.387 28.457 1.00 0.00 H new ATOM 777 N GLN A 49 28.870 16.610 25.150 1.00 0.00 N ATOM 778 CA GLN A 49 28.350 17.320 24.010 1.00 0.00 C ATOM 779 C GLN A 49 26.980 16.730 23.640 1.00 0.00 C ATOM 780 O GLN A 49 26.560 15.700 24.160 1.00 0.00 O ATOM 781 CB GLN A 49 29.230 17.340 22.770 1.00 0.00 C ATOM 782 CG GLN A 49 29.260 16.140 21.820 1.00 0.00 C ATOM 783 CD GLN A 49 29.990 16.480 20.530 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.390 17.630 20.300 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.000 15.560 19.580 1.00 0.00 N ATOM 0 H GLN A 49 29.719 16.081 24.950 1.00 0.00 H new ATOM 0 HA GLN A 49 28.292 18.361 24.329 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.937 18.209 22.181 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.253 17.512 23.104 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.751 15.298 22.308 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.241 15.827 21.593 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.668 14.616 19.780 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.339 15.794 18.647 1.00 0.00 H new ATOM 794 N LEU A 50 26.320 17.540 22.810 1.00 0.00 N ATOM 795 CA LEU A 50 25.170 17.230 21.990 1.00 0.00 C ATOM 796 C LEU A 50 25.700 16.890 20.600 1.00 0.00 C ATOM 797 O LEU A 50 26.340 17.750 20.010 1.00 0.00 O ATOM 798 CB LEU A 50 24.440 18.570 21.890 1.00 0.00 C ATOM 799 CG LEU A 50 23.990 19.250 23.180 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.580 20.720 23.050 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.710 18.620 23.730 1.00 0.00 C ATOM 0 H LEU A 50 26.610 18.511 22.692 1.00 0.00 H new ATOM 0 HA LEU A 50 24.549 16.420 22.372 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.091 19.264 21.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.557 18.422 21.268 1.00 0.00 H new ATOM 0 HG LEU A 50 24.876 19.138 23.804 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.279 21.101 24.026 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.423 21.301 22.678 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.745 20.805 22.354 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.419 19.129 24.649 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.912 18.716 22.994 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.885 17.565 23.940 1.00 0.00 H new ATOM 813 N GLU A 51 25.320 15.750 20.020 1.00 0.00 N ATOM 814 CA GLU A 51 25.830 15.360 18.720 1.00 0.00 C ATOM 815 C GLU A 51 25.350 16.210 17.540 1.00 0.00 C ATOM 816 O GLU A 51 24.140 16.380 17.450 1.00 0.00 O ATOM 817 CB GLU A 51 25.370 13.910 18.620 1.00 0.00 C ATOM 818 CG GLU A 51 25.920 13.100 17.450 1.00 0.00 C ATOM 819 CD GLU A 51 27.410 12.870 17.650 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.750 12.260 18.690 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.220 13.390 16.850 1.00 0.00 O ATOM 0 H GLU A 51 24.663 15.088 20.434 1.00 0.00 H new ATOM 0 HA GLU A 51 26.909 15.502 18.653 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.642 13.401 19.545 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.282 13.901 18.560 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.400 12.145 17.379 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.745 13.629 16.513 1.00 0.00 H new ATOM 828 N ASP A 52 26.320 16.730 16.800 1.00 0.00 N ATOM 829 CA ASP A 52 26.220 17.720 15.740 1.00 0.00 C ATOM 830 C ASP A 52 25.130 17.530 14.690 1.00 0.00 C ATOM 831 O ASP A 52 24.580 18.510 14.190 1.00 0.00 O ATOM 832 CB ASP A 52 27.520 18.080 15.020 1.00 0.00 C ATOM 833 CG ASP A 52 28.810 18.090 15.820 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.960 17.600 16.960 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.720 18.770 15.280 1.00 0.00 O ATOM 0 H ASP A 52 27.288 16.441 16.942 1.00 0.00 H new ATOM 0 HA ASP A 52 25.920 18.557 16.371 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.647 17.380 14.194 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.394 19.070 14.582 1.00 0.00 H new ATOM 840 N GLY A 53 24.790 16.260 14.480 1.00 0.00 N ATOM 841 CA GLY A 53 23.960 15.790 13.390 1.00 0.00 C ATOM 842 C GLY A 53 22.490 15.510 13.720 1.00 0.00 C ATOM 843 O GLY A 53 21.740 15.140 12.820 1.00 0.00 O ATOM 0 H GLY A 53 25.101 15.506 15.093 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.995 16.531 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.401 14.875 12.996 1.00 0.00 H new ATOM 847 N ARG A 54 22.080 15.940 14.910 1.00 0.00 N ATOM 848 CA ARG A 54 20.710 16.010 15.360 1.00 0.00 C ATOM 849 C ARG A 54 20.340 17.490 15.480 1.00 0.00 C ATOM 850 O ARG A 54 21.230 18.330 15.450 1.00 0.00 O ATOM 851 CB ARG A 54 20.570 15.090 16.570 1.00 0.00 C ATOM 852 CG ARG A 54 20.430 13.600 16.290 1.00 0.00 C ATOM 853 CD ARG A 54 20.120 12.840 17.590 1.00 0.00 C ATOM 854 NE ARG A 54 20.590 11.460 17.610 1.00 0.00 N ATOM 855 CZ ARG A 54 20.370 10.640 18.640 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.770 11.060 19.760 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.800 9.370 18.720 1.00 0.00 N ATOM 0 H ARG A 54 22.738 16.265 15.619 1.00 0.00 H new ATOM 0 HA ARG A 54 19.956 15.623 14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.441 15.235 17.209 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.699 15.411 17.141 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.634 13.433 15.564 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.350 13.218 15.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.570 13.376 18.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.042 12.846 17.751 1.00 0.00 H new ATOM 0 HE ARG A 54 21.107 11.107 16.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.467 12.030 19.843 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.616 10.410 20.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.339 8.965 17.955 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.587 8.811 19.546 1.00 0.00 H new ATOM 871 N THR A 55 19.110 17.810 15.880 1.00 0.00 N ATOM 872 CA THR A 55 18.630 19.180 15.820 1.00 0.00 C ATOM 873 C THR A 55 18.280 19.530 17.270 1.00 0.00 C ATOM 874 O THR A 55 18.040 18.620 18.060 1.00 0.00 O ATOM 875 CB THR A 55 17.580 19.340 14.730 1.00 0.00 C ATOM 876 OG1 THR A 55 16.450 18.580 15.120 1.00 0.00 O ATOM 877 CG2 THR A 55 17.950 19.030 13.280 1.00 0.00 C ATOM 0 H THR A 55 18.435 17.139 16.247 1.00 0.00 H new ATOM 0 HA THR A 55 19.351 19.927 15.487 1.00 0.00 H new ATOM 0 HB THR A 55 17.409 20.415 14.676 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.686 17.629 15.138 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.084 19.198 12.640 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.765 19.681 12.965 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.265 17.990 13.199 1.00 0.00 H new ATOM 885 N LEU A 56 17.980 20.820 17.410 1.00 0.00 N ATOM 886 CA LEU A 56 17.200 21.510 18.420 1.00 0.00 C ATOM 887 C LEU A 56 15.970 20.690 18.790 1.00 0.00 C ATOM 888 O LEU A 56 15.820 20.370 19.970 1.00 0.00 O ATOM 889 CB LEU A 56 17.070 23.020 18.170 1.00 0.00 C ATOM 890 CG LEU A 56 18.290 23.900 18.390 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.280 23.800 17.220 1.00 0.00 C ATOM 892 CD2 LEU A 56 17.870 25.360 18.520 1.00 0.00 C ATOM 0 H LEU A 56 18.328 21.488 16.722 1.00 0.00 H new ATOM 0 HA LEU A 56 17.743 21.557 19.364 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.743 23.158 17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.272 23.394 18.811 1.00 0.00 H new ATOM 0 HG LEU A 56 18.772 23.551 19.303 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.139 24.443 17.414 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.616 22.768 17.115 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.789 24.118 16.300 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.753 25.980 18.677 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.363 25.675 17.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.194 25.470 19.368 1.00 0.00 H new ATOM 904 N SER A 57 15.170 20.250 17.820 1.00 0.00 N ATOM 905 CA SER A 57 13.950 19.490 17.980 1.00 0.00 C ATOM 906 C SER A 57 14.130 18.110 18.620 1.00 0.00 C ATOM 907 O SER A 57 13.300 17.720 19.440 1.00 0.00 O ATOM 908 CB SER A 57 13.330 19.540 16.590 1.00 0.00 C ATOM 909 OG SER A 57 13.840 18.740 15.540 1.00 0.00 O ATOM 0 H SER A 57 15.379 20.432 16.838 1.00 0.00 H new ATOM 0 HA SER A 57 13.271 19.910 18.722 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.275 19.289 16.701 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.378 20.576 16.255 1.00 0.00 H new ATOM 0 HG SER A 57 14.781 18.966 15.384 1.00 0.00 H new ATOM 915 N ASP A 58 15.220 17.420 18.280 1.00 0.00 N ATOM 916 CA ASP A 58 15.400 16.090 18.810 1.00 0.00 C ATOM 917 C ASP A 58 15.680 16.190 20.310 1.00 0.00 C ATOM 918 O ASP A 58 15.190 15.410 21.120 1.00 0.00 O ATOM 919 CB ASP A 58 16.510 15.280 18.150 1.00 0.00 C ATOM 920 CG ASP A 58 16.370 15.210 16.630 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.740 14.280 16.080 1.00 0.00 O ATOM 922 OD2 ASP A 58 16.990 16.100 16.020 1.00 0.00 O ATOM 0 H ASP A 58 15.960 17.754 17.663 1.00 0.00 H new ATOM 0 HA ASP A 58 14.475 15.554 18.598 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.474 15.722 18.401 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.507 14.269 18.557 1.00 0.00 H new ATOM 927 N TYR A 59 16.590 17.120 20.610 1.00 0.00 N ATOM 928 CA TYR A 59 17.120 17.360 21.940 1.00 0.00 C ATOM 929 C TYR A 59 16.210 18.170 22.850 1.00 0.00 C ATOM 930 O TYR A 59 16.430 18.450 24.030 1.00 0.00 O ATOM 931 CB TYR A 59 18.490 18.040 21.850 1.00 0.00 C ATOM 932 CG TYR A 59 19.590 17.040 21.580 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.000 16.170 22.600 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.290 17.130 20.370 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.200 15.470 22.450 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.420 16.330 20.170 1.00 0.00 C ATOM 937 CZ TYR A 59 21.920 15.600 21.250 1.00 0.00 C ATOM 938 OH TYR A 59 23.020 14.810 21.110 1.00 0.00 O ATOM 0 H TYR A 59 16.986 17.743 19.906 1.00 0.00 H new ATOM 0 HA TYR A 59 17.204 16.374 22.397 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.474 18.788 21.057 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.697 18.567 22.781 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.398 16.043 23.488 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.960 17.811 19.599 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.569 14.838 23.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.895 16.278 19.202 1.00 0.00 H new ATOM 0 HH TYR A 59 22.910 14.231 20.327 1.00 0.00 H new ATOM 948 N ASN A 60 15.100 18.650 22.290 1.00 0.00 N ATOM 949 CA ASN A 60 14.150 19.490 22.980 1.00 0.00 C ATOM 950 C ASN A 60 14.700 20.800 23.540 1.00 0.00 C ATOM 951 O ASN A 60 14.480 21.150 24.700 1.00 0.00 O ATOM 952 CB ASN A 60 13.370 18.660 24.000 1.00 0.00 C ATOM 953 CG ASN A 60 11.930 19.030 24.330 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.640 20.210 24.500 1.00 0.00 O ATOM 955 ND2 ASN A 60 10.940 18.140 24.270 1.00 0.00 N ATOM 0 H ASN A 60 14.840 18.456 21.323 1.00 0.00 H new ATOM 0 HA ASN A 60 13.457 19.854 22.222 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.369 17.628 23.648 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.933 18.678 24.933 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.972 18.447 24.365 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.150 17.152 24.129 1.00 0.00 H new ATOM 962 N ILE A 61 15.500 21.470 22.710 1.00 0.00 N ATOM 963 CA ILE A 61 16.080 22.770 22.980 1.00 0.00 C ATOM 964 C ILE A 61 15.080 23.780 22.420 1.00 0.00 C ATOM 965 O ILE A 61 15.080 24.160 21.250 1.00 0.00 O ATOM 966 CB ILE A 61 17.440 22.910 22.300 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.530 21.920 22.730 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.980 24.320 22.580 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.140 21.980 24.130 1.00 0.00 C ATOM 0 H ILE A 61 15.767 21.101 21.798 1.00 0.00 H new ATOM 0 HA ILE A 61 16.255 22.924 24.045 1.00 0.00 H new ATOM 0 HB ILE A 61 17.241 22.700 21.249 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.119 20.918 22.603 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.351 22.020 22.020 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.952 24.439 22.102 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.287 25.061 22.182 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.085 24.462 23.656 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.891 21.196 24.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.608 22.953 24.282 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.357 21.834 24.874 1.00 0.00 H new ATOM 981 N GLN A 62 14.260 24.300 23.330 1.00 0.00 N ATOM 982 CA GLN A 62 13.220 25.290 23.140 1.00 0.00 C ATOM 983 C GLN A 62 13.850 26.680 23.030 1.00 0.00 C ATOM 984 O GLN A 62 14.960 26.910 23.520 1.00 0.00 O ATOM 985 CB GLN A 62 12.250 25.200 24.310 1.00 0.00 C ATOM 986 CG GLN A 62 11.530 23.870 24.540 1.00 0.00 C ATOM 987 CD GLN A 62 10.700 23.450 23.340 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.040 24.250 22.670 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.680 22.160 23.020 1.00 0.00 N ATOM 0 H GLN A 62 14.318 24.008 24.306 1.00 0.00 H new ATOM 0 HA GLN A 62 12.671 25.105 22.217 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.799 25.445 25.219 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.492 25.972 24.177 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.264 23.095 24.760 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.884 23.955 25.414 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.222 21.490 23.567 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.123 21.840 22.228 1.00 0.00 H new ATOM 998 N LYS A 63 13.060 27.650 22.580 1.00 0.00 N ATOM 999 CA LYS A 63 13.360 29.060 22.630 1.00 0.00 C ATOM 1000 C LYS A 63 14.050 29.540 23.910 1.00 0.00 C ATOM 1001 O LYS A 63 13.600 29.260 25.020 1.00 0.00 O ATOM 1002 CB LYS A 63 12.150 29.910 22.250 1.00 0.00 C ATOM 1003 CG LYS A 63 11.090 30.100 23.330 1.00 0.00 C ATOM 1004 CD LYS A 63 11.170 31.390 24.140 1.00 0.00 C ATOM 1005 CE LYS A 63 10.650 31.140 25.550 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.620 32.340 26.400 1.00 0.00 N ATOM 0 H LYS A 63 12.154 27.456 22.153 1.00 0.00 H new ATOM 0 HA LYS A 63 14.122 29.209 21.865 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.506 30.894 21.944 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.674 29.458 21.380 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.109 30.054 22.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.151 29.259 24.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.200 31.744 24.179 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.582 32.171 23.658 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.643 30.727 25.487 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.274 30.385 26.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.877 32.082 27.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.299 33.040 26.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.664 32.748 26.391 1.00 0.00 H new ATOM 1020 N GLU A 64 15.150 30.280 23.810 1.00 0.00 N ATOM 1021 CA GLU A 64 15.800 31.040 24.860 1.00 0.00 C ATOM 1022 C GLU A 64 16.490 30.160 25.910 1.00 0.00 C ATOM 1023 O GLU A 64 16.450 30.430 27.110 1.00 0.00 O ATOM 1024 CB GLU A 64 14.910 32.130 25.450 1.00 0.00 C ATOM 1025 CG GLU A 64 14.570 33.230 24.440 1.00 0.00 C ATOM 1026 CD GLU A 64 13.570 34.300 24.840 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.660 34.020 25.650 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.520 35.380 24.210 1.00 0.00 O ATOM 0 H GLU A 64 15.644 30.367 22.922 1.00 0.00 H new ATOM 0 HA GLU A 64 16.615 31.577 24.374 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.987 31.681 25.815 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.410 32.575 26.310 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.500 33.730 24.170 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.195 32.747 23.538 1.00 0.00 H new ATOM 1035 N SER A 65 17.110 29.080 25.450 1.00 0.00 N ATOM 1036 CA SER A 65 17.950 28.110 26.130 1.00 0.00 C ATOM 1037 C SER A 65 19.400 28.560 26.010 1.00 0.00 C ATOM 1038 O SER A 65 19.850 28.950 24.930 1.00 0.00 O ATOM 1039 CB SER A 65 17.820 26.700 25.550 1.00 0.00 C ATOM 1040 OG SER A 65 16.500 26.200 25.510 1.00 0.00 O ATOM 0 H SER A 65 17.021 28.836 24.464 1.00 0.00 H new ATOM 0 HA SER A 65 17.626 28.063 27.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.226 26.699 24.538 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.434 26.020 26.141 1.00 0.00 H new ATOM 0 HG SER A 65 16.128 26.329 24.612 1.00 0.00 H new ATOM 1046 N THR A 66 20.020 28.550 27.190 1.00 0.00 N ATOM 1047 CA THR A 66 21.420 28.880 27.280 1.00 0.00 C ATOM 1048 C THR A 66 22.250 27.610 27.080 1.00 0.00 C ATOM 1049 O THR A 66 22.320 26.800 28.000 1.00 0.00 O ATOM 1050 CB THR A 66 21.750 29.480 28.640 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.990 30.640 28.900 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.190 29.990 28.510 1.00 0.00 C ATOM 0 H THR A 66 19.573 28.319 28.077 1.00 0.00 H new ATOM 0 HA THR A 66 21.654 29.613 26.508 1.00 0.00 H new ATOM 0 HB THR A 66 21.570 28.736 29.416 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.228 30.996 29.782 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.504 30.439 29.453 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.850 29.158 28.267 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.241 30.737 27.718 1.00 0.00 H new ATOM 1060 N LEU A 67 22.980 27.520 25.970 1.00 0.00 N ATOM 1061 CA LEU A 67 23.960 26.480 25.700 1.00 0.00 C ATOM 1062 C LEU A 67 25.340 26.990 26.110 1.00 0.00 C ATOM 1063 O LEU A 67 25.640 28.170 25.960 1.00 0.00 O ATOM 1064 CB LEU A 67 24.110 26.210 24.200 1.00 0.00 C ATOM 1065 CG LEU A 67 22.860 25.760 23.440 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.060 25.250 22.020 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.170 24.690 24.290 1.00 0.00 C ATOM 0 H LEU A 67 22.899 28.195 25.210 1.00 0.00 H new ATOM 0 HA LEU A 67 23.626 25.591 26.235 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.482 27.120 23.729 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.877 25.447 24.070 1.00 0.00 H new ATOM 0 HG LEU A 67 22.257 26.657 23.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.097 24.965 21.597 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.506 26.036 21.410 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.721 24.383 22.034 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.271 24.343 23.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.849 23.851 24.440 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.898 25.113 25.257 1.00 0.00 H new ATOM 1079 N HIS A 68 26.150 26.170 26.780 1.00 0.00 N ATOM 1080 CA HIS A 68 27.490 26.540 27.190 1.00 0.00 C ATOM 1081 C HIS A 68 28.520 26.060 26.160 1.00 0.00 C ATOM 1082 O HIS A 68 28.520 24.890 25.780 1.00 0.00 O ATOM 1083 CB HIS A 68 27.820 25.870 28.520 1.00 0.00 C ATOM 1084 CG HIS A 68 26.950 26.500 29.580 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.210 27.760 30.130 1.00 0.00 N ATOM 1086 CD2 HIS A 68 25.820 25.970 30.120 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.240 27.880 31.040 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.460 26.790 31.170 1.00 0.00 N ATOM 0 H HIS A 68 25.885 25.223 27.052 1.00 0.00 H new ATOM 0 HA HIS A 68 27.529 27.626 27.279 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.637 24.797 28.463 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.874 26.001 28.763 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.304 25.080 29.791 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.093 28.777 31.623 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.757 26.610 31.887 1.00 0.00 H new ATOM 1096 N LEU A 69 29.330 27.000 25.680 1.00 0.00 N ATOM 1097 CA LEU A 69 30.400 26.800 24.730 1.00 0.00 C ATOM 1098 C LEU A 69 31.720 26.770 25.500 1.00 0.00 C ATOM 1099 O LEU A 69 32.130 27.790 26.060 1.00 0.00 O ATOM 1100 CB LEU A 69 30.460 27.980 23.760 1.00 0.00 C ATOM 1101 CG LEU A 69 31.670 28.170 22.850 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.760 27.050 21.810 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.650 29.550 22.190 1.00 0.00 C ATOM 0 H LEU A 69 29.245 27.975 25.966 1.00 0.00 H new ATOM 0 HA LEU A 69 30.231 25.873 24.182 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.581 27.915 23.118 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.356 28.889 24.352 1.00 0.00 H new ATOM 0 HG LEU A 69 32.567 28.115 23.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.632 27.212 21.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.853 26.089 22.317 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.859 27.050 21.196 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.523 29.659 21.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.744 29.654 21.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.668 30.322 22.960 1.00 0.00 H new ATOM 1115 N VAL A 70 32.310 25.580 25.580 1.00 0.00 N ATOM 1116 CA VAL A 70 33.740 25.460 25.740 1.00 0.00 C ATOM 1117 C VAL A 70 34.430 25.710 24.390 1.00 0.00 C ATOM 1118 O VAL A 70 33.920 25.430 23.310 1.00 0.00 O ATOM 1119 CB VAL A 70 34.040 24.040 26.230 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.430 23.470 25.970 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.400 23.780 27.590 1.00 0.00 C ATOM 0 H VAL A 70 31.812 24.691 25.536 1.00 0.00 H new ATOM 0 HA VAL A 70 34.111 26.191 26.458 1.00 0.00 H new ATOM 0 HB VAL A 70 33.526 23.376 25.534 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.490 22.459 26.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.617 23.444 24.897 1.00 0.00 H new ATOM 0 HG13 VAL A 70 36.177 24.099 26.453 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.630 22.764 27.912 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.793 24.489 28.318 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.319 23.900 27.513 1.00 0.00 H new ATOM 1131 N LEU A 71 35.620 26.280 24.540 1.00 0.00 N ATOM 1132 CA LEU A 71 36.490 26.810 23.510 1.00 0.00 C ATOM 1133 C LEU A 71 37.950 26.440 23.770 1.00 0.00 C ATOM 1134 O LEU A 71 38.420 26.380 24.900 1.00 0.00 O ATOM 1135 CB LEU A 71 36.310 28.310 23.230 1.00 0.00 C ATOM 1136 CG LEU A 71 36.300 29.270 24.420 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.680 29.690 24.930 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.580 30.590 24.170 1.00 0.00 C ATOM 0 H LEU A 71 36.031 26.390 25.467 1.00 0.00 H new ATOM 0 HA LEU A 71 36.176 26.323 22.587 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.109 28.622 22.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.371 28.438 22.691 1.00 0.00 H new ATOM 0 HG LEU A 71 35.776 28.654 25.151 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.565 30.370 25.774 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.234 28.807 25.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.226 30.192 24.131 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.625 31.205 25.069 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.061 31.117 23.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.538 30.394 23.916 1.00 0.00 H new