USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 1 MET N :NH3+ -153:sc= 0.967 (180deg=-0.0276) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.528 K(o=0.44,f=-5.7!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 34 THR OG1 : rot 132:sc= 1.27 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.266 K(o=-8.7,f=-9.6) USER MOD Set 3.2: A 50 ASN : amide:sc= -8.41! C(o=-8.7!,f=-9.9!) USER MOD Set 4.1: A 16 SER OG : rot -163:sc= 0.792 USER MOD Set 4.2: A 18 GLN :FLIP amide:sc= -0.467 F(o=-0.088!,f=1.5) USER MOD Set 4.3: A 19 THR OG1 : rot 94:sc= 1.21 USER MOD Set 5.1: A 17 TYR OH : rot 180:sc= 0.773 USER MOD Set 5.2: A 21 SER OG : rot -129:sc= 1.69 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.307) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0299 (180deg=-0.273) USER MOD Single : A 5 THR OG1 : rot 45:sc= 0.166 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.99! C(o=-2!,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.0029) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.354) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 46 ASN : amide:sc= 0.554 K(o=0.55,f=-0.037) USER MOD Single : A 47 TYR OH : rot -151:sc= 1.5 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.080 11.140 2.450 1.00 0.00 N ATOM 2 CA MET A 1 5.930 10.730 1.620 1.00 0.00 C ATOM 3 C MET A 1 5.660 9.220 1.410 1.00 0.00 C ATOM 4 O MET A 1 4.540 8.870 1.070 1.00 0.00 O ATOM 5 CB MET A 1 5.980 11.430 0.260 1.00 0.00 C ATOM 6 CG MET A 1 5.310 12.800 0.320 1.00 0.00 C ATOM 7 SD MET A 1 3.510 12.700 0.680 1.00 0.00 S ATOM 8 CE MET A 1 3.070 14.420 0.540 1.00 0.00 C ATOM 0 H1 MET A 1 6.890 12.072 2.871 1.00 0.00 H new ATOM 0 H2 MET A 1 7.229 10.442 3.206 1.00 0.00 H new ATOM 0 H3 MET A 1 7.933 11.196 1.858 1.00 0.00 H new ATOM 0 HA MET A 1 5.086 11.048 2.232 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.017 11.543 -0.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.484 10.812 -0.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.796 13.403 1.087 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.458 13.313 -0.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.176 14.616 1.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.891 15.037 0.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.873 14.661 -0.505 1.00 0.00 H new ATOM 9 N LYS A 2 6.620 8.390 1.830 1.00 0.00 N ATOM 10 CA LYS A 2 6.650 6.910 1.650 1.00 0.00 C ATOM 11 C LYS A 2 7.990 6.370 2.250 1.00 0.00 C ATOM 12 O LYS A 2 8.990 7.090 2.130 1.00 0.00 O ATOM 13 CB LYS A 2 6.670 6.370 0.210 1.00 0.00 C ATOM 14 CG LYS A 2 5.330 6.390 -0.520 1.00 0.00 C ATOM 15 CD LYS A 2 5.550 6.210 -2.030 1.00 0.00 C ATOM 16 CE LYS A 2 4.250 6.320 -2.830 1.00 0.00 C ATOM 17 NZ LYS A 2 3.660 7.660 -2.690 1.00 0.00 N ATOM 0 H LYS A 2 7.441 8.733 2.329 1.00 0.00 H new ATOM 0 HA LYS A 2 5.722 6.586 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.387 6.953 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.037 5.344 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.688 5.595 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.817 7.332 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.255 6.963 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.005 5.237 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.447 6.113 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.541 5.568 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.924 7.793 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.238 7.756 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.400 8.380 -2.814 1.00 0.00 H new ATOM 18 N PRO A 3 8.060 5.190 2.900 1.00 0.00 N ATOM 19 CA PRO A 3 9.380 4.520 3.020 1.00 0.00 C ATOM 20 C PRO A 3 9.910 3.740 1.830 1.00 0.00 C ATOM 21 O PRO A 3 11.120 3.550 1.690 1.00 0.00 O ATOM 22 CB PRO A 3 9.280 3.670 4.300 1.00 0.00 C ATOM 23 CG PRO A 3 8.350 4.540 5.130 1.00 0.00 C ATOM 24 CD PRO A 3 7.270 4.810 4.090 1.00 0.00 C ATOM 0 HA PRO A 3 10.144 5.296 3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.864 2.680 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.248 3.523 4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.966 4.023 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.832 5.453 5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.656 3.929 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.597 5.608 4.402 1.00 0.00 H new ATOM 25 N VAL A 4 9.010 3.430 0.910 1.00 0.00 N ATOM 26 CA VAL A 4 9.280 2.580 -0.280 1.00 0.00 C ATOM 27 C VAL A 4 8.290 2.980 -1.380 1.00 0.00 C ATOM 28 O VAL A 4 7.150 3.350 -1.080 1.00 0.00 O ATOM 29 CB VAL A 4 9.050 1.180 0.450 1.00 0.00 C ATOM 30 CG1 VAL A 4 7.860 0.370 -0.160 1.00 0.00 C ATOM 31 CG2 VAL A 4 10.180 0.120 0.430 1.00 0.00 C ATOM 0 H VAL A 4 8.046 3.760 0.954 1.00 0.00 H new ATOM 0 HA VAL A 4 10.232 2.624 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 4 8.918 1.562 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.750 -0.573 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.941 0.949 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.059 0.169 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.855 -0.768 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.410 -0.148 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.071 0.529 0.906 1.00 0.00 H new ATOM 32 N THR A 5 8.690 2.920 -2.660 1.00 0.00 N ATOM 33 CA THR A 5 7.850 3.290 -3.830 1.00 0.00 C ATOM 34 C THR A 5 6.750 2.210 -3.900 1.00 0.00 C ATOM 35 O THR A 5 7.050 1.050 -4.180 1.00 0.00 O ATOM 36 CB THR A 5 8.870 3.190 -5.040 1.00 0.00 C ATOM 37 OG1 THR A 5 9.800 2.130 -4.880 1.00 0.00 O ATOM 38 CG2 THR A 5 9.710 4.540 -5.230 1.00 0.00 C ATOM 0 H THR A 5 9.624 2.608 -2.925 1.00 0.00 H new ATOM 0 HA THR A 5 7.371 4.269 -3.809 1.00 0.00 H new ATOM 0 HB THR A 5 8.249 3.006 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.329 1.323 -4.585 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.396 4.427 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.029 5.368 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.278 4.746 -4.323 1.00 0.00 H new ATOM 39 N LEU A 6 5.540 2.540 -3.400 1.00 0.00 N ATOM 40 CA LEU A 6 4.350 1.610 -3.300 1.00 0.00 C ATOM 41 C LEU A 6 4.040 0.720 -4.510 1.00 0.00 C ATOM 42 O LEU A 6 3.420 -0.330 -4.340 1.00 0.00 O ATOM 43 CB LEU A 6 3.080 2.400 -2.900 1.00 0.00 C ATOM 44 CG LEU A 6 2.890 2.730 -1.330 1.00 0.00 C ATOM 45 CD1 LEU A 6 1.880 3.830 -0.870 1.00 0.00 C ATOM 46 CD2 LEU A 6 2.420 1.410 -0.760 1.00 0.00 C ATOM 0 H LEU A 6 5.339 3.474 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 6 4.656 0.905 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.080 3.343 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.210 1.836 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 6 3.837 3.151 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.894 3.905 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.164 4.789 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.876 3.564 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.257 1.514 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.488 1.117 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.177 0.646 -0.939 1.00 0.00 H new ATOM 47 N TYR A 7 4.640 1.020 -5.660 1.00 0.00 N ATOM 48 CA TYR A 7 4.680 0.090 -6.820 1.00 0.00 C ATOM 49 C TYR A 7 5.300 -1.270 -6.400 1.00 0.00 C ATOM 50 O TYR A 7 4.760 -2.330 -6.710 1.00 0.00 O ATOM 51 CB TYR A 7 5.540 0.530 -8.030 1.00 0.00 C ATOM 52 CG TYR A 7 5.240 1.900 -8.660 1.00 0.00 C ATOM 53 CD1 TYR A 7 4.240 2.770 -8.140 1.00 0.00 C ATOM 54 CD2 TYR A 7 5.910 2.230 -9.870 1.00 0.00 C ATOM 55 CE1 TYR A 7 3.870 3.930 -8.850 1.00 0.00 C ATOM 56 CE2 TYR A 7 5.540 3.390 -10.580 1.00 0.00 C ATOM 57 CZ TYR A 7 4.520 4.220 -10.070 1.00 0.00 C ATOM 58 OH TYR A 7 4.110 5.290 -10.790 1.00 0.00 O ATOM 0 H TYR A 7 5.114 1.907 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 7 3.634 0.052 -7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.584 0.526 -7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.436 -0.227 -8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.763 2.540 -7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.699 1.594 -10.243 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.102 4.586 -8.468 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.034 3.641 -11.507 1.00 0.00 H new ATOM 0 HH TYR A 7 4.651 5.364 -11.604 1.00 0.00 H new ATOM 59 N ASP A 8 6.280 -1.200 -5.500 1.00 0.00 N ATOM 60 CA ASP A 8 6.920 -2.390 -4.880 1.00 0.00 C ATOM 61 C ASP A 8 5.930 -3.280 -4.130 1.00 0.00 C ATOM 62 O ASP A 8 5.800 -4.460 -4.470 1.00 0.00 O ATOM 63 CB ASP A 8 8.160 -2.010 -3.950 1.00 0.00 C ATOM 64 CG ASP A 8 8.790 -3.230 -3.300 1.00 0.00 C ATOM 65 OD1 ASP A 8 9.260 -4.120 -4.040 1.00 0.00 O ATOM 66 OD2 ASP A 8 8.760 -3.240 -2.050 1.00 0.00 O ATOM 0 H ASP A 8 6.665 -0.315 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 8 7.305 -2.972 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.911 -1.490 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.831 -1.318 -3.175 1.00 0.00 H new ATOM 67 N VAL A 9 5.080 -2.680 -3.290 1.00 0.00 N ATOM 68 CA VAL A 9 3.970 -3.370 -2.630 1.00 0.00 C ATOM 69 C VAL A 9 2.960 -4.000 -3.620 1.00 0.00 C ATOM 70 O VAL A 9 2.780 -5.220 -3.660 1.00 0.00 O ATOM 71 CB VAL A 9 3.270 -2.460 -1.560 1.00 0.00 C ATOM 72 CG1 VAL A 9 2.000 -3.110 -1.010 1.00 0.00 C ATOM 73 CG2 VAL A 9 4.240 -2.090 -0.420 1.00 0.00 C ATOM 0 H VAL A 9 5.145 -1.691 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 9 4.414 -4.211 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 9 2.975 -1.539 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.544 -2.450 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.298 -3.283 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.252 -4.061 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.726 -1.459 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.587 -2.999 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.094 -1.550 -0.830 1.00 0.00 H new ATOM 74 N ALA A 10 2.630 -3.170 -4.600 1.00 0.00 N ATOM 75 CA ALA A 10 1.650 -3.450 -5.670 1.00 0.00 C ATOM 76 C ALA A 10 2.020 -4.700 -6.480 1.00 0.00 C ATOM 77 O ALA A 10 1.230 -5.630 -6.580 1.00 0.00 O ATOM 78 CB ALA A 10 1.540 -2.250 -6.630 1.00 0.00 C ATOM 0 H ALA A 10 3.048 -2.243 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 10 0.693 -3.627 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.814 -2.474 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.216 -1.369 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.512 -2.056 -7.083 1.00 0.00 H new ATOM 79 N GLU A 11 3.280 -4.760 -6.890 1.00 0.00 N ATOM 80 CA GLU A 11 3.920 -5.850 -7.620 1.00 0.00 C ATOM 81 C GLU A 11 4.090 -7.170 -6.830 1.00 0.00 C ATOM 82 O GLU A 11 3.750 -8.220 -7.350 1.00 0.00 O ATOM 83 CB GLU A 11 5.280 -5.440 -8.260 1.00 0.00 C ATOM 84 CG GLU A 11 5.240 -4.630 -9.570 1.00 0.00 C ATOM 85 CD GLU A 11 4.550 -3.270 -9.490 1.00 0.00 C ATOM 86 OE1 GLU A 11 3.300 -3.220 -9.560 1.00 0.00 O ATOM 87 OE2 GLU A 11 5.310 -2.270 -9.470 1.00 0.00 O ATOM 0 H GLU A 11 3.929 -3.994 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 11 3.201 -6.057 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.836 -4.859 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.851 -6.350 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.264 -4.477 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.736 -5.228 -10.329 1.00 0.00 H new ATOM 88 N TYR A 12 4.490 -7.060 -5.560 1.00 0.00 N ATOM 89 CA TYR A 12 4.650 -8.220 -4.640 1.00 0.00 C ATOM 90 C TYR A 12 3.280 -8.900 -4.370 1.00 0.00 C ATOM 91 O TYR A 12 3.200 -10.110 -4.160 1.00 0.00 O ATOM 92 CB TYR A 12 5.230 -7.790 -3.310 1.00 0.00 C ATOM 93 CG TYR A 12 5.640 -8.940 -2.400 1.00 0.00 C ATOM 94 CD1 TYR A 12 6.970 -9.360 -2.530 1.00 0.00 C ATOM 95 CD2 TYR A 12 4.860 -9.310 -1.280 1.00 0.00 C ATOM 96 CE1 TYR A 12 7.570 -10.110 -1.490 1.00 0.00 C ATOM 97 CE2 TYR A 12 5.450 -10.040 -0.240 1.00 0.00 C ATOM 98 CZ TYR A 12 6.800 -10.440 -0.360 1.00 0.00 C ATOM 99 OH TYR A 12 7.340 -11.180 0.650 1.00 0.00 O ATOM 0 H TYR A 12 4.716 -6.165 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 12 5.329 -8.920 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.101 -7.160 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.496 -7.175 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.534 -9.113 -3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.818 -9.032 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.601 -10.423 -1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.881 -10.294 0.642 1.00 0.00 H new ATOM 0 HH TYR A 12 6.669 -11.314 1.352 1.00 0.00 H new ATOM 100 N ALA A 13 2.240 -8.060 -4.360 1.00 0.00 N ATOM 101 CA ALA A 13 0.840 -8.470 -4.120 1.00 0.00 C ATOM 102 C ALA A 13 0.100 -8.760 -5.450 1.00 0.00 C ATOM 103 O ALA A 13 -1.040 -9.230 -5.450 1.00 0.00 O ATOM 104 CB ALA A 13 0.110 -7.340 -3.380 1.00 0.00 C ATOM 0 H ALA A 13 2.342 -7.058 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 13 0.847 -9.383 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.924 -7.633 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.606 -7.149 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.129 -6.435 -3.988 1.00 0.00 H new ATOM 105 N GLY A 14 0.690 -8.280 -6.550 1.00 0.00 N ATOM 106 CA GLY A 14 0.280 -8.520 -7.950 1.00 0.00 C ATOM 107 C GLY A 14 -0.970 -7.720 -8.370 1.00 0.00 C ATOM 108 O GLY A 14 -1.620 -8.060 -9.360 1.00 0.00 O ATOM 0 H GLY A 14 1.513 -7.680 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.107 -8.261 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.084 -9.584 -8.086 1.00 0.00 H new ATOM 109 N VAL A 15 -1.210 -6.590 -7.700 1.00 0.00 N ATOM 110 CA VAL A 15 -2.490 -5.850 -7.780 1.00 0.00 C ATOM 111 C VAL A 15 -2.230 -4.370 -8.170 1.00 0.00 C ATOM 112 O VAL A 15 -1.340 -3.730 -7.600 1.00 0.00 O ATOM 113 CB VAL A 15 -3.190 -6.130 -6.420 1.00 0.00 C ATOM 114 CG1 VAL A 15 -2.620 -5.350 -5.220 1.00 0.00 C ATOM 115 CG2 VAL A 15 -4.720 -6.130 -6.460 1.00 0.00 C ATOM 0 H VAL A 15 -0.525 -6.154 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.169 -6.169 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.918 -7.169 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.174 -5.613 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.568 -5.604 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.714 -4.280 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.110 -6.335 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.075 -5.156 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.066 -6.900 -7.150 1.00 0.00 H new ATOM 116 N SER A 16 -2.670 -4.050 -9.400 1.00 0.00 N ATOM 117 CA SER A 16 -2.590 -2.700 -10.100 1.00 0.00 C ATOM 118 C SER A 16 -2.300 -1.540 -9.090 1.00 0.00 C ATOM 119 O SER A 16 -3.000 -1.440 -8.090 1.00 0.00 O ATOM 120 CB SER A 16 -3.900 -2.390 -10.930 1.00 0.00 C ATOM 121 OG SER A 16 -5.000 -2.210 -10.040 1.00 0.00 O ATOM 0 H SER A 16 -3.122 -4.749 -9.990 1.00 0.00 H new ATOM 0 HA SER A 16 -1.754 -2.761 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.757 -1.493 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.108 -3.208 -11.620 1.00 0.00 H new ATOM 0 HG SER A 16 -5.840 -2.288 -10.538 1.00 0.00 H new ATOM 122 N TYR A 17 -1.390 -0.580 -9.370 1.00 0.00 N ATOM 123 CA TYR A 17 -1.010 0.510 -8.380 1.00 0.00 C ATOM 124 C TYR A 17 -2.160 1.230 -7.700 1.00 0.00 C ATOM 125 O TYR A 17 -2.170 1.310 -6.470 1.00 0.00 O ATOM 126 CB TYR A 17 0.120 1.420 -8.960 1.00 0.00 C ATOM 127 CG TYR A 17 0.290 2.730 -8.220 1.00 0.00 C ATOM 128 CD1 TYR A 17 0.790 2.620 -6.930 1.00 0.00 C ATOM 129 CD2 TYR A 17 -0.180 3.940 -8.770 1.00 0.00 C ATOM 130 CE1 TYR A 17 0.790 3.770 -6.110 1.00 0.00 C ATOM 131 CE2 TYR A 17 -0.180 5.090 -7.950 1.00 0.00 C ATOM 132 CZ TYR A 17 0.290 4.990 -6.620 1.00 0.00 C ATOM 133 OH TYR A 17 -0.030 5.970 -5.750 1.00 0.00 O ATOM 0 H TYR A 17 -0.896 -0.519 -10.260 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.583 -0.001 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.063 0.874 -8.934 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.097 1.631 -10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.170 1.678 -6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.530 3.986 -9.790 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.169 3.718 -5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.535 6.035 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.360 6.750 -6.243 1.00 0.00 H new ATOM 134 N GLN A 18 -3.080 1.750 -8.480 1.00 0.00 N ATOM 135 CA GLN A 18 -4.220 2.450 -7.880 1.00 0.00 C ATOM 136 C GLN A 18 -5.150 1.740 -6.900 1.00 0.00 C ATOM 137 O GLN A 18 -5.520 2.330 -5.880 1.00 0.00 O ATOM 138 CB GLN A 18 -5.030 3.340 -8.910 1.00 0.00 C ATOM 139 CG GLN A 18 -5.600 2.650 -10.160 1.00 0.00 C ATOM 140 CD GLN A 18 -6.480 1.410 -9.860 1.00 0.00 C ATOM 141 OE1 GLN A 18 -7.500 1.410 -9.000 1.00 0.00 O flip ATOM 142 NE2 GLN A 18 -6.110 0.320 -10.270 1.00 0.00 N flip ATOM 0 H GLN A 18 -3.076 1.711 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.654 3.078 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.860 3.801 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.377 4.147 -9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.191 3.373 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.773 2.347 -10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.334 0.260 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.577 -0.530 -9.953 1.00 0.00 H new ATOM 143 N THR A 19 -5.170 0.420 -7.050 1.00 0.00 N ATOM 144 CA THR A 19 -5.720 -0.540 -6.070 1.00 0.00 C ATOM 145 C THR A 19 -5.020 -0.330 -4.700 1.00 0.00 C ATOM 146 O THR A 19 -5.680 -0.010 -3.720 1.00 0.00 O ATOM 147 CB THR A 19 -5.570 -1.990 -6.490 1.00 0.00 C ATOM 148 OG1 THR A 19 -6.230 -2.290 -7.720 1.00 0.00 O ATOM 149 CG2 THR A 19 -6.270 -2.960 -5.460 1.00 0.00 C ATOM 0 H THR A 19 -4.794 -0.037 -7.881 1.00 0.00 H new ATOM 0 HA THR A 19 -6.790 -0.342 -6.003 1.00 0.00 H new ATOM 0 HB THR A 19 -4.492 -2.131 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.596 -2.200 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.145 -3.992 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.817 -2.835 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.333 -2.724 -5.402 1.00 0.00 H new ATOM 150 N VAL A 20 -3.690 -0.300 -4.730 1.00 0.00 N ATOM 151 CA VAL A 20 -2.870 -0.170 -3.500 1.00 0.00 C ATOM 152 C VAL A 20 -3.100 1.210 -2.830 1.00 0.00 C ATOM 153 O VAL A 20 -3.450 1.240 -1.650 1.00 0.00 O ATOM 154 CB VAL A 20 -1.390 -0.590 -3.630 1.00 0.00 C ATOM 155 CG1 VAL A 20 -0.550 -0.320 -2.390 1.00 0.00 C ATOM 156 CG2 VAL A 20 -1.390 -2.120 -3.810 1.00 0.00 C ATOM 0 H VAL A 20 -3.144 -0.363 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.239 -0.929 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.962 -0.018 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.475 -0.645 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.560 0.747 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.963 -0.869 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.364 -2.475 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.855 -2.588 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.951 -2.381 -4.707 1.00 0.00 H new ATOM 157 N SER A 21 -3.140 2.310 -3.600 1.00 0.00 N ATOM 158 CA SER A 21 -3.300 3.670 -3.060 1.00 0.00 C ATOM 159 C SER A 21 -4.640 3.860 -2.340 1.00 0.00 C ATOM 160 O SER A 21 -4.700 4.380 -1.230 1.00 0.00 O ATOM 161 CB SER A 21 -3.040 4.760 -4.100 1.00 0.00 C ATOM 162 OG SER A 21 -2.120 4.310 -5.090 1.00 0.00 O ATOM 0 H SER A 21 -3.062 2.281 -4.617 1.00 0.00 H new ATOM 0 HA SER A 21 -2.522 3.784 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.979 5.047 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.646 5.650 -3.609 1.00 0.00 H new ATOM 0 HG SER A 21 -1.404 4.971 -5.195 1.00 0.00 H new ATOM 163 N ARG A 22 -5.650 3.200 -2.900 1.00 0.00 N ATOM 164 CA ARG A 22 -6.980 3.020 -2.300 1.00 0.00 C ATOM 165 C ARG A 22 -7.020 2.260 -0.970 1.00 0.00 C ATOM 166 O ARG A 22 -7.470 2.810 0.040 1.00 0.00 O ATOM 167 CB ARG A 22 -7.800 2.230 -3.350 1.00 0.00 C ATOM 168 CG ARG A 22 -8.310 3.050 -4.530 1.00 0.00 C ATOM 169 CD ARG A 22 -9.200 2.200 -5.560 1.00 0.00 C ATOM 170 NE ARG A 22 -9.740 2.890 -6.760 1.00 0.00 N ATOM 171 CZ ARG A 22 -9.070 3.680 -7.610 1.00 0.00 C ATOM 172 NH1 ARG A 22 -7.790 3.980 -7.470 1.00 0.00 N ATOM 173 NH2 ARG A 22 -9.710 4.220 -8.640 1.00 0.00 N ATOM 0 H ARG A 22 -5.568 2.758 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.370 4.008 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.182 1.418 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.654 1.772 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.901 3.885 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.459 3.476 -5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.599 1.358 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.043 1.785 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.730 2.746 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.261 3.604 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.331 4.587 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.703 4.032 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.209 4.823 -9.293 1.00 0.00 H new ATOM 174 N VAL A 23 -6.290 1.140 -0.940 1.00 0.00 N ATOM 175 CA VAL A 23 -6.170 0.240 0.220 1.00 0.00 C ATOM 176 C VAL A 23 -5.580 1.040 1.400 1.00 0.00 C ATOM 177 O VAL A 23 -5.990 0.890 2.550 1.00 0.00 O ATOM 178 CB VAL A 23 -5.240 -0.910 -0.080 1.00 0.00 C ATOM 179 CG1 VAL A 23 -4.940 -1.800 1.130 1.00 0.00 C ATOM 180 CG2 VAL A 23 -5.830 -1.840 -1.130 1.00 0.00 C ATOM 0 H VAL A 23 -5.749 0.822 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.157 -0.156 0.458 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.325 -0.423 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.265 -2.603 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.472 -1.204 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.869 -2.228 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.136 -2.658 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.775 -2.245 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.003 -1.285 -2.052 1.00 0.00 H new ATOM 181 N VAL A 24 -4.600 1.860 1.050 1.00 0.00 N ATOM 182 CA VAL A 24 -3.750 2.590 1.990 1.00 0.00 C ATOM 183 C VAL A 24 -4.570 3.420 3.020 1.00 0.00 C ATOM 184 O VAL A 24 -4.290 3.410 4.210 1.00 0.00 O ATOM 185 CB VAL A 24 -2.680 3.420 1.280 1.00 0.00 C ATOM 186 CG1 VAL A 24 -1.860 4.290 2.210 1.00 0.00 C ATOM 187 CG2 VAL A 24 -1.710 2.480 0.550 1.00 0.00 C ATOM 0 H VAL A 24 -4.364 2.044 0.075 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.217 1.837 2.571 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.217 4.078 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.123 4.847 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.517 4.988 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.349 3.662 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.946 3.069 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.236 1.814 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.259 1.889 -0.183 1.00 0.00 H new ATOM 188 N ASN A 25 -5.510 4.190 2.480 1.00 0.00 N ATOM 189 CA ASN A 25 -6.520 4.920 3.300 1.00 0.00 C ATOM 190 C ASN A 25 -7.850 4.170 3.550 1.00 0.00 C ATOM 191 O ASN A 25 -8.880 4.770 3.870 1.00 0.00 O ATOM 192 CB ASN A 25 -6.780 6.370 2.860 1.00 0.00 C ATOM 193 CG ASN A 25 -5.520 7.250 3.040 1.00 0.00 C ATOM 194 OD1 ASN A 25 -4.790 7.460 2.080 1.00 0.00 O ATOM 195 ND2 ASN A 25 -5.120 7.740 4.210 1.00 0.00 N ATOM 0 H ASN A 25 -5.608 4.336 1.475 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.016 4.964 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.089 6.385 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.602 6.786 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.245 8.260 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.688 7.596 5.045 1.00 0.00 H new ATOM 196 N GLN A 26 -7.840 2.860 3.270 1.00 0.00 N ATOM 197 CA GLN A 26 -8.920 1.900 3.440 1.00 0.00 C ATOM 198 C GLN A 26 -10.190 2.240 2.630 1.00 0.00 C ATOM 199 O GLN A 26 -11.250 1.620 2.730 1.00 0.00 O ATOM 200 CB GLN A 26 -9.210 1.640 4.940 1.00 0.00 C ATOM 201 CG GLN A 26 -9.760 0.260 5.300 1.00 0.00 C ATOM 202 CD GLN A 26 -11.280 0.060 5.130 1.00 0.00 C ATOM 203 OE1 GLN A 26 -11.730 -0.820 4.410 1.00 0.00 O ATOM 204 NE2 GLN A 26 -12.130 0.750 5.880 1.00 0.00 N ATOM 0 H GLN A 26 -7.005 2.416 2.888 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.568 0.962 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.286 1.795 5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.921 2.391 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.248 -0.482 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.502 0.050 6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.786 1.491 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.128 0.540 5.845 1.00 0.00 H new ATOM 205 N ALA A 27 -9.920 3.060 1.610 1.00 0.00 N ATOM 206 CA ALA A 27 -10.870 3.680 0.680 1.00 0.00 C ATOM 207 C ALA A 27 -12.300 3.940 1.220 1.00 0.00 C ATOM 208 O ALA A 27 -13.320 3.710 0.560 1.00 0.00 O ATOM 209 CB ALA A 27 -10.870 2.840 -0.610 1.00 0.00 C ATOM 0 H ALA A 27 -8.959 3.328 1.396 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.521 4.696 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.568 3.274 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.868 2.832 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.174 1.819 -0.379 1.00 0.00 H new ATOM 210 N SER A 28 -12.320 4.480 2.440 1.00 0.00 N ATOM 211 CA SER A 28 -13.500 4.530 3.360 1.00 0.00 C ATOM 212 C SER A 28 -13.950 3.130 3.790 1.00 0.00 C ATOM 213 O SER A 28 -14.010 2.860 4.990 1.00 0.00 O ATOM 214 CB SER A 28 -14.730 5.330 2.860 1.00 0.00 C ATOM 215 OG SER A 28 -15.780 5.270 3.850 1.00 0.00 O ATOM 0 H SER A 28 -11.492 4.916 2.847 1.00 0.00 H new ATOM 0 HA SER A 28 -13.112 5.089 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.451 6.367 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.084 4.920 1.914 1.00 0.00 H new ATOM 0 HG SER A 28 -16.557 5.777 3.534 1.00 0.00 H new ATOM 216 N HIS A 29 -14.270 2.290 2.810 1.00 0.00 N ATOM 217 CA HIS A 29 -14.730 0.900 2.980 1.00 0.00 C ATOM 218 C HIS A 29 -14.180 0.070 1.780 1.00 0.00 C ATOM 219 O HIS A 29 -14.590 0.340 0.650 1.00 0.00 O ATOM 220 CB HIS A 29 -16.270 0.660 2.920 1.00 0.00 C ATOM 221 CG HIS A 29 -16.960 1.410 4.090 1.00 0.00 C ATOM 222 ND1 HIS A 29 -18.000 2.210 3.870 1.00 0.00 N ATOM 223 CD2 HIS A 29 -16.630 1.550 5.390 1.00 0.00 C ATOM 224 CE1 HIS A 29 -18.340 2.800 5.000 1.00 0.00 C ATOM 225 NE2 HIS A 29 -17.500 2.380 5.940 1.00 0.00 N ATOM 0 H HIS A 29 -14.216 2.564 1.829 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.382 0.623 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.666 1.010 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.485 -0.407 2.982 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -15.803 1.070 5.892 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.153 3.498 5.136 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -17.523 2.653 6.923 1.00 0.00 H new ATOM 226 N VAL A 30 -13.150 -0.770 1.940 1.00 0.00 N ATOM 227 CA VAL A 30 -12.650 -1.610 0.830 1.00 0.00 C ATOM 228 C VAL A 30 -12.860 -3.120 1.030 1.00 0.00 C ATOM 229 O VAL A 30 -13.020 -3.590 2.160 1.00 0.00 O ATOM 230 CB VAL A 30 -11.110 -1.250 0.700 1.00 0.00 C ATOM 231 CG1 VAL A 30 -10.230 -1.680 1.850 1.00 0.00 C ATOM 232 CG2 VAL A 30 -10.480 -1.810 -0.640 1.00 0.00 C ATOM 0 H VAL A 30 -12.646 -0.890 2.818 1.00 0.00 H new ATOM 0 HA VAL A 30 -13.214 -1.397 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.123 -0.160 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.201 -1.382 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.575 -1.206 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.279 -2.763 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.425 -1.540 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.578 -2.895 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.002 -1.381 -1.495 1.00 0.00 H new ATOM 233 N SER A 31 -12.870 -3.880 -0.060 1.00 0.00 N ATOM 234 CA SER A 31 -13.050 -5.360 -0.020 1.00 0.00 C ATOM 235 C SER A 31 -11.940 -6.080 0.780 1.00 0.00 C ATOM 236 O SER A 31 -10.770 -6.070 0.410 1.00 0.00 O ATOM 237 CB SER A 31 -13.090 -5.930 -1.440 1.00 0.00 C ATOM 238 OG SER A 31 -12.090 -5.310 -2.260 1.00 0.00 O ATOM 0 H SER A 31 -12.755 -3.506 -1.002 1.00 0.00 H new ATOM 0 HA SER A 31 -13.997 -5.540 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.927 -7.007 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.076 -5.769 -1.875 1.00 0.00 H new ATOM 0 HG SER A 31 -12.128 -5.687 -3.164 1.00 0.00 H new ATOM 239 N ALA A 32 -12.350 -6.810 1.830 1.00 0.00 N ATOM 240 CA ALA A 32 -11.460 -7.570 2.730 1.00 0.00 C ATOM 241 C ALA A 32 -10.300 -8.340 2.070 1.00 0.00 C ATOM 242 O ALA A 32 -9.140 -8.080 2.390 1.00 0.00 O ATOM 243 CB ALA A 32 -12.270 -8.510 3.640 1.00 0.00 C ATOM 0 H ALA A 32 -13.334 -6.892 2.085 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.968 -6.792 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.591 -9.058 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.962 -7.924 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.832 -9.215 3.027 1.00 0.00 H new ATOM 244 N LYS A 33 -10.620 -9.310 1.220 1.00 0.00 N ATOM 245 CA LYS A 33 -9.600 -10.120 0.510 1.00 0.00 C ATOM 246 C LYS A 33 -8.400 -9.320 -0.070 1.00 0.00 C ATOM 247 O LYS A 33 -7.250 -9.600 0.280 1.00 0.00 O ATOM 248 CB LYS A 33 -10.160 -11.040 -0.600 1.00 0.00 C ATOM 249 CG LYS A 33 -9.160 -12.030 -1.220 1.00 0.00 C ATOM 250 CD LYS A 33 -8.820 -13.130 -0.190 1.00 0.00 C ATOM 251 CE LYS A 33 -7.470 -13.850 -0.390 1.00 0.00 C ATOM 252 NZ LYS A 33 -6.360 -12.890 -0.310 1.00 0.00 N ATOM 0 H LYS A 33 -11.581 -9.566 0.996 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.230 -10.741 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.995 -11.607 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.562 -10.413 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.584 -12.477 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.253 -11.506 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.827 -12.684 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.614 -13.877 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.347 -14.622 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.457 -14.350 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.468 -13.403 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.302 -12.351 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.523 -12.236 0.482 1.00 0.00 H new ATOM 253 N THR A 34 -8.740 -8.190 -0.670 1.00 0.00 N ATOM 254 CA THR A 34 -7.790 -7.230 -1.290 1.00 0.00 C ATOM 255 C THR A 34 -6.840 -6.760 -0.170 1.00 0.00 C ATOM 256 O THR A 34 -5.640 -7.030 -0.230 1.00 0.00 O ATOM 257 CB THR A 34 -8.540 -6.010 -1.810 1.00 0.00 C ATOM 258 OG1 THR A 34 -9.640 -6.390 -2.640 1.00 0.00 O ATOM 259 CG2 THR A 34 -7.640 -5.070 -2.680 1.00 0.00 C ATOM 0 H THR A 34 -9.712 -7.890 -0.751 1.00 0.00 H new ATOM 0 HA THR A 34 -7.259 -7.703 -2.116 1.00 0.00 H new ATOM 0 HB THR A 34 -8.875 -5.485 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.444 -5.904 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.228 -4.218 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.801 -4.715 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.264 -5.622 -3.542 1.00 0.00 H new ATOM 260 N ARG A 35 -7.430 -6.290 0.940 1.00 0.00 N ATOM 261 CA ARG A 35 -6.690 -5.860 2.110 1.00 0.00 C ATOM 262 C ARG A 35 -5.710 -6.890 2.690 1.00 0.00 C ATOM 263 O ARG A 35 -4.510 -6.630 2.740 1.00 0.00 O ATOM 264 CB ARG A 35 -7.530 -5.460 3.320 1.00 0.00 C ATOM 265 CG ARG A 35 -7.750 -3.930 3.370 1.00 0.00 C ATOM 266 CD ARG A 35 -8.540 -3.330 4.600 1.00 0.00 C ATOM 267 NE ARG A 35 -10.000 -3.590 4.620 1.00 0.00 N ATOM 268 CZ ARG A 35 -10.620 -4.700 5.030 1.00 0.00 C ATOM 269 NH1 ARG A 35 -9.980 -5.710 5.600 1.00 0.00 N ATOM 270 NH2 ARG A 35 -11.940 -4.750 4.950 1.00 0.00 N ATOM 0 H ARG A 35 -8.441 -6.202 1.040 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.178 -5.005 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.494 -5.967 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.035 -5.788 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.771 -3.451 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.277 -3.639 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.106 -3.731 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.382 -2.252 4.618 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.598 -2.836 4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.971 -5.660 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.496 -6.538 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.459 -3.953 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.438 -5.586 5.256 1.00 0.00 H new ATOM 271 N GLU A 36 -6.200 -8.110 2.850 1.00 0.00 N ATOM 272 CA GLU A 36 -5.470 -9.230 3.450 1.00 0.00 C ATOM 273 C GLU A 36 -4.140 -9.590 2.800 1.00 0.00 C ATOM 274 O GLU A 36 -3.090 -9.540 3.430 1.00 0.00 O ATOM 275 CB GLU A 36 -6.310 -10.540 3.480 1.00 0.00 C ATOM 276 CG GLU A 36 -7.410 -10.810 4.570 1.00 0.00 C ATOM 277 CD GLU A 36 -8.590 -9.850 4.550 1.00 0.00 C ATOM 278 OE1 GLU A 36 -8.440 -8.730 5.070 1.00 0.00 O ATOM 279 OE2 GLU A 36 -9.660 -10.320 4.110 1.00 0.00 O ATOM 0 H GLU A 36 -7.145 -8.361 2.559 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.268 -8.846 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.804 -10.616 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.600 -11.365 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.786 -11.825 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.943 -10.766 5.554 1.00 0.00 H new ATOM 280 N LYS A 37 -4.190 -9.440 1.480 1.00 0.00 N ATOM 281 CA LYS A 37 -3.090 -9.720 0.550 1.00 0.00 C ATOM 282 C LYS A 37 -2.030 -8.600 0.580 1.00 0.00 C ATOM 283 O LYS A 37 -0.850 -8.840 0.840 1.00 0.00 O ATOM 284 CB LYS A 37 -3.800 -9.800 -0.810 1.00 0.00 C ATOM 285 CG LYS A 37 -2.950 -10.500 -1.850 1.00 0.00 C ATOM 286 CD LYS A 37 -3.720 -10.660 -3.180 1.00 0.00 C ATOM 287 CE LYS A 37 -4.550 -9.430 -3.580 1.00 0.00 C ATOM 288 NZ LYS A 37 -4.650 -9.400 -5.050 1.00 0.00 N ATOM 0 H LYS A 37 -5.029 -9.107 1.005 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.539 -10.628 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.745 -10.331 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.040 -8.794 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.036 -9.931 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.650 -11.480 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.007 -10.878 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.383 -11.522 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.543 -9.479 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.080 -8.518 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.209 -8.573 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.697 -9.337 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.115 -10.268 -5.384 1.00 0.00 H new ATOM 289 N VAL A 38 -2.530 -7.360 0.620 1.00 0.00 N ATOM 290 CA VAL A 38 -1.750 -6.120 0.730 1.00 0.00 C ATOM 291 C VAL A 38 -1.040 -6.120 2.110 1.00 0.00 C ATOM 292 O VAL A 38 0.170 -5.980 2.170 1.00 0.00 O ATOM 293 CB VAL A 38 -2.640 -4.890 0.610 1.00 0.00 C ATOM 294 CG1 VAL A 38 -1.870 -3.580 0.690 1.00 0.00 C ATOM 295 CG2 VAL A 38 -3.390 -4.700 -0.750 1.00 0.00 C ATOM 0 H VAL A 38 -3.534 -7.184 0.575 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.024 -6.080 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.324 -5.086 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.563 -2.744 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.354 -3.519 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.140 -3.537 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.990 -3.791 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.663 -4.621 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.040 -5.556 -0.929 1.00 0.00 H new ATOM 296 N GLU A 39 -1.810 -6.390 3.160 1.00 0.00 N ATOM 297 CA GLU A 39 -1.430 -6.480 4.570 1.00 0.00 C ATOM 298 C GLU A 39 -0.250 -7.430 4.810 1.00 0.00 C ATOM 299 O GLU A 39 0.800 -7.010 5.300 1.00 0.00 O ATOM 300 CB GLU A 39 -2.600 -6.840 5.530 1.00 0.00 C ATOM 301 CG GLU A 39 -3.660 -5.720 5.660 1.00 0.00 C ATOM 302 CD GLU A 39 -4.830 -6.200 6.510 1.00 0.00 C ATOM 303 OE1 GLU A 39 -4.720 -6.100 7.750 1.00 0.00 O ATOM 304 OE2 GLU A 39 -5.820 -6.660 5.890 1.00 0.00 O ATOM 0 H GLU A 39 -2.807 -6.568 3.036 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.118 -5.465 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.085 -7.749 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.194 -7.061 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.211 -4.835 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.015 -5.428 4.671 1.00 0.00 H new ATOM 305 N ALA A 40 -0.330 -8.530 4.070 1.00 0.00 N ATOM 306 CA ALA A 40 0.730 -9.540 4.000 1.00 0.00 C ATOM 307 C ALA A 40 2.020 -8.970 3.370 1.00 0.00 C ATOM 308 O ALA A 40 3.040 -8.800 4.040 1.00 0.00 O ATOM 309 CB ALA A 40 0.250 -10.790 3.250 1.00 0.00 C ATOM 0 H ALA A 40 -1.141 -8.752 3.493 1.00 0.00 H new ATOM 0 HA ALA A 40 0.972 -9.833 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.055 -11.523 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.607 -11.219 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.040 -10.517 2.235 1.00 0.00 H new ATOM 310 N ALA A 41 1.820 -8.390 2.190 1.00 0.00 N ATOM 311 CA ALA A 41 2.870 -7.720 1.400 1.00 0.00 C ATOM 312 C ALA A 41 3.580 -6.560 2.140 1.00 0.00 C ATOM 313 O ALA A 41 4.790 -6.580 2.340 1.00 0.00 O ATOM 314 CB ALA A 41 2.310 -7.230 0.040 1.00 0.00 C ATOM 0 H ALA A 41 0.905 -8.368 1.739 1.00 0.00 H new ATOM 0 HA ALA A 41 3.634 -8.479 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.103 -6.739 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.935 -8.082 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.498 -6.524 0.214 1.00 0.00 H new ATOM 315 N MET A 42 2.760 -5.760 2.820 1.00 0.00 N ATOM 316 CA MET A 42 3.140 -4.560 3.580 1.00 0.00 C ATOM 317 C MET A 42 4.160 -4.770 4.690 1.00 0.00 C ATOM 318 O MET A 42 5.230 -4.160 4.680 1.00 0.00 O ATOM 319 CB MET A 42 1.890 -3.890 4.250 1.00 0.00 C ATOM 320 CG MET A 42 0.890 -3.180 3.280 1.00 0.00 C ATOM 321 SD MET A 42 0.670 -1.380 3.550 1.00 0.00 S ATOM 322 CE MET A 42 -1.010 -0.960 3.050 1.00 0.00 C ATOM 0 H MET A 42 1.756 -5.938 2.861 1.00 0.00 H new ATOM 0 HA MET A 42 3.599 -3.931 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.346 -4.655 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.241 -3.158 4.977 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.231 -3.337 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.082 -3.665 3.370 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.207 0.087 3.280 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.122 -1.124 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.718 -1.589 3.589 1.00 0.00 H new ATOM 323 N ALA A 43 3.890 -5.830 5.440 1.00 0.00 N ATOM 324 CA ALA A 43 4.770 -6.250 6.520 1.00 0.00 C ATOM 325 C ALA A 43 6.160 -6.710 6.010 1.00 0.00 C ATOM 326 O ALA A 43 7.170 -6.060 6.250 1.00 0.00 O ATOM 327 CB ALA A 43 4.200 -7.370 7.400 1.00 0.00 C ATOM 0 H ALA A 43 3.064 -6.417 5.319 1.00 0.00 H new ATOM 0 HA ALA A 43 4.867 -5.350 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.919 -7.622 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.270 -7.034 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.005 -8.250 6.788 1.00 0.00 H new ATOM 328 N GLU A 44 6.060 -7.540 4.960 1.00 0.00 N ATOM 329 CA GLU A 44 7.190 -8.230 4.320 1.00 0.00 C ATOM 330 C GLU A 44 8.190 -7.280 3.620 1.00 0.00 C ATOM 331 O GLU A 44 9.390 -7.540 3.580 1.00 0.00 O ATOM 332 CB GLU A 44 6.700 -9.320 3.380 1.00 0.00 C ATOM 333 CG GLU A 44 6.140 -10.540 4.140 1.00 0.00 C ATOM 334 CD GLU A 44 7.250 -11.390 4.760 1.00 0.00 C ATOM 335 OE1 GLU A 44 7.830 -12.210 4.020 1.00 0.00 O ATOM 336 OE2 GLU A 44 7.470 -11.220 5.980 1.00 0.00 O ATOM 0 H GLU A 44 5.165 -7.755 4.521 1.00 0.00 H new ATOM 0 HA GLU A 44 7.754 -8.696 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.926 -8.914 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.521 -9.640 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.464 -10.199 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.552 -11.154 3.457 1.00 0.00 H new ATOM 337 N LEU A 45 7.650 -6.210 3.040 1.00 0.00 N ATOM 338 CA LEU A 45 8.370 -5.150 2.310 1.00 0.00 C ATOM 339 C LEU A 45 8.790 -3.960 3.190 1.00 0.00 C ATOM 340 O LEU A 45 8.870 -2.830 2.710 1.00 0.00 O ATOM 341 CB LEU A 45 7.410 -4.710 1.180 1.00 0.00 C ATOM 342 CG LEU A 45 7.220 -5.850 0.190 1.00 0.00 C ATOM 343 CD1 LEU A 45 5.980 -5.590 -0.660 1.00 0.00 C ATOM 344 CD2 LEU A 45 8.450 -6.080 -0.690 1.00 0.00 C ATOM 0 H LEU A 45 6.644 -6.043 3.064 1.00 0.00 H new ATOM 0 HA LEU A 45 9.316 -5.534 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.448 -4.418 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.813 -3.836 0.669 1.00 0.00 H new ATOM 0 HG LEU A 45 7.082 -6.766 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.846 -6.408 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.104 -5.522 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.102 -4.654 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.257 -6.905 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.664 -5.176 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.307 -6.324 -0.062 1.00 0.00 H new ATOM 345 N ASN A 46 8.800 -4.210 4.500 1.00 0.00 N ATOM 346 CA ASN A 46 9.200 -3.230 5.550 1.00 0.00 C ATOM 347 C ASN A 46 8.460 -1.860 5.450 1.00 0.00 C ATOM 348 O ASN A 46 9.030 -0.780 5.700 1.00 0.00 O ATOM 349 CB ASN A 46 10.700 -2.980 5.910 1.00 0.00 C ATOM 350 CG ASN A 46 11.720 -2.810 4.770 1.00 0.00 C ATOM 351 OD1 ASN A 46 12.880 -3.170 4.930 1.00 0.00 O ATOM 352 ND2 ASN A 46 11.420 -2.320 3.580 1.00 0.00 N ATOM 0 H ASN A 46 8.527 -5.114 4.885 1.00 0.00 H new ATOM 0 HA ASN A 46 8.859 -3.828 6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.745 -2.084 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.034 -3.813 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.138 -2.259 2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.471 -2.003 3.384 1.00 0.00 H new ATOM 353 N TYR A 47 7.180 -1.900 5.080 1.00 0.00 N ATOM 354 CA TYR A 47 6.380 -0.690 4.780 1.00 0.00 C ATOM 355 C TYR A 47 5.510 -0.380 6.020 1.00 0.00 C ATOM 356 O TYR A 47 5.250 -1.260 6.840 1.00 0.00 O ATOM 357 CB TYR A 47 5.500 -0.960 3.540 1.00 0.00 C ATOM 358 CG TYR A 47 4.830 0.300 2.970 1.00 0.00 C ATOM 359 CD1 TYR A 47 5.510 1.530 2.770 1.00 0.00 C ATOM 360 CD2 TYR A 47 3.430 0.230 2.930 1.00 0.00 C ATOM 361 CE1 TYR A 47 4.750 2.710 2.600 1.00 0.00 C ATOM 362 CE2 TYR A 47 2.680 1.400 2.780 1.00 0.00 C ATOM 363 CZ TYR A 47 3.340 2.620 2.610 1.00 0.00 C ATOM 364 OH TYR A 47 2.570 3.730 2.590 1.00 0.00 O ATOM 0 H TYR A 47 6.658 -2.770 4.977 1.00 0.00 H new ATOM 0 HA TYR A 47 7.020 0.165 4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.113 -1.417 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.728 -1.683 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.589 1.564 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.933 -0.725 3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.239 3.664 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.601 1.361 2.795 1.00 0.00 H new ATOM 0 HH TYR A 47 1.722 3.548 3.046 1.00 0.00 H new ATOM 365 N ILE A 48 4.790 0.740 5.950 1.00 0.00 N ATOM 366 CA ILE A 48 3.960 1.230 7.070 1.00 0.00 C ATOM 367 C ILE A 48 2.710 1.880 6.460 1.00 0.00 C ATOM 368 O ILE A 48 2.880 2.840 5.710 1.00 0.00 O ATOM 369 CB ILE A 48 4.710 2.160 8.100 1.00 0.00 C ATOM 370 CG1 ILE A 48 3.860 2.550 9.360 1.00 0.00 C ATOM 371 CG2 ILE A 48 5.460 3.400 7.610 1.00 0.00 C ATOM 372 CD1 ILE A 48 2.690 3.560 9.220 1.00 0.00 C ATOM 0 H ILE A 48 4.760 1.336 5.123 1.00 0.00 H new ATOM 0 HA ILE A 48 3.682 0.382 7.695 1.00 0.00 H new ATOM 0 HB ILE A 48 5.501 1.455 8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.447 1.629 9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.548 2.951 10.105 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.911 3.912 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.241 3.100 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.763 4.072 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.218 3.708 10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.073 4.513 8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.955 3.170 8.516 1.00 0.00 H new ATOM 373 N PRO A 49 1.540 1.220 6.580 1.00 0.00 N ATOM 374 CA PRO A 49 0.250 1.600 5.960 1.00 0.00 C ATOM 375 C PRO A 49 0.120 2.910 5.180 1.00 0.00 C ATOM 376 O PRO A 49 0.190 2.830 3.950 1.00 0.00 O ATOM 377 CB PRO A 49 -0.760 1.340 7.080 1.00 0.00 C ATOM 378 CG PRO A 49 -0.250 -0.020 7.560 1.00 0.00 C ATOM 379 CD PRO A 49 1.280 0.120 7.530 1.00 0.00 C ATOM 0 HA PRO A 49 0.074 1.001 5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.727 2.100 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.787 1.299 6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.610 -0.249 8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.589 -0.825 6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.676 0.350 8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.755 -0.805 7.204 1.00 0.00 H new ATOM 380 N ASN A 50 0.360 4.030 5.840 1.00 0.00 N ATOM 381 CA ASN A 50 0.240 5.310 5.140 1.00 0.00 C ATOM 382 C ASN A 50 1.470 6.230 5.140 1.00 0.00 C ATOM 383 O ASN A 50 1.890 6.670 6.200 1.00 0.00 O ATOM 384 CB ASN A 50 -1.010 6.190 5.570 1.00 0.00 C ATOM 385 CG ASN A 50 -1.280 7.300 4.510 1.00 0.00 C ATOM 386 OD1 ASN A 50 -0.610 8.320 4.560 1.00 0.00 O ATOM 387 ND2 ASN A 50 -2.190 7.280 3.550 1.00 0.00 N ATOM 0 H ASN A 50 0.629 4.088 6.822 1.00 0.00 H new ATOM 0 HA ASN A 50 0.111 4.933 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.891 5.556 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.826 6.644 6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.288 8.079 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.794 6.466 3.436 1.00 0.00 H new ATOM 388 N ARG A 51 2.250 6.080 4.060 1.00 0.00 N ATOM 389 CA ARG A 51 2.690 7.180 3.160 1.00 0.00 C ATOM 390 C ARG A 51 2.970 8.460 3.970 1.00 0.00 C ATOM 391 O ARG A 51 3.760 8.350 4.900 1.00 0.00 O ATOM 392 CB ARG A 51 1.520 7.050 2.110 1.00 0.00 C ATOM 393 CG ARG A 51 1.250 7.860 0.820 1.00 0.00 C ATOM 394 CD ARG A 51 0.760 9.350 0.910 1.00 0.00 C ATOM 395 NE ARG A 51 -0.340 9.440 1.910 1.00 0.00 N ATOM 396 CZ ARG A 51 -1.620 9.720 1.620 1.00 0.00 C ATOM 397 NH1 ARG A 51 -2.060 9.870 0.390 1.00 0.00 N ATOM 398 NH2 ARG A 51 -2.460 9.960 2.620 1.00 0.00 N ATOM 0 H ARG A 51 2.607 5.169 3.772 1.00 0.00 H new ATOM 0 HA ARG A 51 3.648 7.170 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.562 6.012 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.609 7.160 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.172 7.858 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.507 7.310 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.585 10.001 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.411 9.691 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.103 9.277 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.418 9.774 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.043 10.082 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.128 9.929 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.438 10.175 2.424 1.00 0.00 H new ATOM 399 N VAL A 52 2.900 9.640 3.360 1.00 0.00 N ATOM 400 CA VAL A 52 2.420 10.890 4.020 1.00 0.00 C ATOM 401 C VAL A 52 3.610 11.760 4.530 1.00 0.00 C ATOM 402 O VAL A 52 4.570 11.200 5.080 1.00 0.00 O ATOM 403 CB VAL A 52 1.330 10.700 5.150 1.00 0.00 C ATOM 404 CG1 VAL A 52 1.860 10.090 6.450 1.00 0.00 C ATOM 405 CG2 VAL A 52 0.400 11.870 5.570 1.00 0.00 C ATOM 0 H VAL A 52 3.173 9.776 2.387 1.00 0.00 H new ATOM 0 HA VAL A 52 1.896 11.420 3.225 1.00 0.00 H new ATOM 0 HB VAL A 52 0.706 10.020 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.044 9.997 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.278 9.104 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.636 10.734 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.274 11.534 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.003 12.700 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.183 12.198 4.709 1.00 0.00 H new ATOM 406 N ALA A 53 3.690 13.040 4.150 1.00 0.00 N ATOM 407 CA ALA A 53 4.630 14.010 4.780 1.00 0.00 C ATOM 408 C ALA A 53 4.480 14.180 6.310 1.00 0.00 C ATOM 409 O ALA A 53 3.910 15.130 6.840 1.00 0.00 O ATOM 410 CB ALA A 53 4.580 15.370 4.060 1.00 0.00 C ATOM 0 H ALA A 53 3.118 13.442 3.407 1.00 0.00 H new ATOM 0 HA ALA A 53 5.617 13.565 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.275 16.061 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.860 15.239 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.569 15.775 4.116 1.00 0.00 H new ATOM 411 N GLN A 54 4.890 13.100 6.960 1.00 0.00 N ATOM 412 CA GLN A 54 4.990 12.880 8.420 1.00 0.00 C ATOM 413 C GLN A 54 6.150 11.930 8.750 1.00 0.00 C ATOM 414 O GLN A 54 6.860 12.150 9.730 1.00 0.00 O ATOM 415 CB GLN A 54 3.700 12.230 8.930 1.00 0.00 C ATOM 416 CG GLN A 54 2.530 13.200 9.060 1.00 0.00 C ATOM 417 CD GLN A 54 1.260 12.490 9.530 1.00 0.00 C ATOM 418 OE1 GLN A 54 0.350 12.180 8.780 1.00 0.00 O ATOM 419 NE2 GLN A 54 1.150 12.240 10.820 1.00 0.00 N ATOM 0 H GLN A 54 5.191 12.273 6.444 1.00 0.00 H new ATOM 0 HA GLN A 54 5.157 13.847 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.418 11.424 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.893 11.776 9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.788 13.990 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.345 13.679 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.906 12.496 11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.309 11.791 11.183 1.00 0.00 H new ATOM 420 N GLN A 55 6.330 10.900 7.920 1.00 0.00 N ATOM 421 CA GLN A 55 7.540 10.070 8.050 1.00 0.00 C ATOM 422 C GLN A 55 8.770 10.700 7.410 1.00 0.00 C ATOM 423 O GLN A 55 8.820 10.990 6.220 1.00 0.00 O ATOM 424 CB GLN A 55 7.540 8.520 7.820 1.00 0.00 C ATOM 425 CG GLN A 55 7.110 7.940 6.460 1.00 0.00 C ATOM 426 CD GLN A 55 7.990 8.360 5.290 1.00 0.00 C ATOM 427 OE1 GLN A 55 7.600 9.090 4.390 1.00 0.00 O ATOM 428 NE2 GLN A 55 9.190 7.810 5.200 1.00 0.00 N ATOM 0 H GLN A 55 5.686 10.624 7.179 1.00 0.00 H new ATOM 0 HA GLN A 55 7.563 10.090 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.551 8.164 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.892 8.080 8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.110 6.852 6.526 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.084 8.247 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.528 7.199 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.777 7.997 4.387 1.00 0.00 H new ATOM 429 N LEU A 56 9.510 11.310 8.330 1.00 0.00 N ATOM 430 CA LEU A 56 10.700 12.130 8.000 1.00 0.00 C ATOM 431 C LEU A 56 11.970 11.310 7.700 1.00 0.00 C ATOM 432 CB LEU A 56 10.930 13.120 9.150 1.00 0.00 C ATOM 433 CG LEU A 56 9.750 14.080 9.340 1.00 0.00 C ATOM 434 CD1 LEU A 56 9.850 14.770 10.700 1.00 0.00 C ATOM 435 CD2 LEU A 56 9.650 15.100 8.210 1.00 0.00 C ATOM 0 H LEU A 56 9.313 11.258 9.329 1.00 0.00 H new ATOM 0 HA LEU A 56 10.495 12.658 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.097 12.567 10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.835 13.695 8.955 1.00 0.00 H new ATOM 0 HG LEU A 56 8.833 13.492 9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.007 15.450 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.832 14.020 11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.782 15.333 10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.800 15.758 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.565 15.691 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.514 14.580 7.262 1.00 0.00 H new TER 436 LEU A 56