USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 120 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 27 LYS NZ :NH3+ 173:sc= -4.61! (180deg=-4.75!) USER MOD Set 1.2: A 29 THR OG1 : rot -153:sc= -0.431 USER MOD Set 2.1: A 26 ASN : amide:sc= 1.46 K(o=2.6,f=-3.2) USER MOD Set 2.2: A 40 GLN : amide:sc= 1.15 K(o=2.6,f=-3.2!) USER MOD Set 3.1: A 4 THR OG1 : rot -109:sc= 2.29 USER MOD Set 3.2: A 51 SER OG : rot 63:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 170:sc= 2.37 (180deg=2.14) USER MOD Single : A 15 GLN : amide:sc= -0.719 K(o=-0.72,f=-4.8!) USER MOD Single : A 24 TYR OH : rot -143:sc= 1.7 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 56:sc= 0.932 USER MOD Single : A 34 SER OG : rot -38:sc= 1.59 USER MOD Single : A 35 SER OG : rot 100:sc= -0.061 USER MOD Single : A 41 THR OG1 : rot -171:sc= 1.22 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 28:sc= 0.54 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0.671 (180deg=0.629) USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= -6.18! (180deg=-10.8!) USER MOD Single : A 69 SER OG : rot 180:sc= -1.5! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.430 13.880 -2.660 1.00 0.00 N ATOM 2 CA GLY A 1 10.740 13.500 -3.220 1.00 0.00 C ATOM 3 C GLY A 1 10.630 13.400 -4.730 1.00 0.00 C ATOM 4 O GLY A 1 9.530 13.600 -5.240 1.00 0.00 O ATOM 0 H1 GLY A 1 9.454 13.785 -1.625 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.217 14.866 -2.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.693 13.257 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.493 14.239 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.064 12.546 -2.803 1.00 0.00 H new ATOM 8 N PRO A 2 11.740 13.140 -5.420 1.00 0.00 N ATOM 9 CA PRO A 2 11.750 12.470 -6.730 1.00 0.00 C ATOM 10 C PRO A 2 10.870 11.210 -6.710 1.00 0.00 C ATOM 11 O PRO A 2 10.930 10.460 -5.740 1.00 0.00 O ATOM 12 CB PRO A 2 13.220 12.120 -6.890 1.00 0.00 C ATOM 13 CG PRO A 2 13.940 13.320 -6.280 1.00 0.00 C ATOM 14 CD PRO A 2 13.090 13.620 -5.040 1.00 0.00 C ATOM 0 HA PRO A 2 11.354 13.077 -7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.471 11.195 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.488 11.981 -7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.971 13.084 -6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.971 14.167 -6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.467 13.100 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.086 14.684 -4.804 1.00 0.00 H new ATOM 15 N GLU A 3 9.890 11.190 -7.610 1.00 0.00 N ATOM 16 CA GLU A 3 8.800 10.200 -7.640 1.00 0.00 C ATOM 17 C GLU A 3 8.020 10.200 -8.970 1.00 0.00 C ATOM 18 O GLU A 3 7.230 11.110 -9.250 1.00 0.00 O ATOM 19 CB GLU A 3 7.850 10.400 -6.450 1.00 0.00 C ATOM 20 CG GLU A 3 7.350 11.840 -6.280 1.00 0.00 C ATOM 21 CD GLU A 3 6.700 12.160 -4.940 1.00 0.00 C ATOM 22 OE1 GLU A 3 7.450 12.330 -3.950 1.00 0.00 O ATOM 23 OE2 GLU A 3 5.470 12.380 -4.970 1.00 0.00 O ATOM 0 H GLU A 3 9.824 11.877 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 3 9.270 9.220 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.990 9.741 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.360 10.094 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.192 12.517 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.631 12.051 -7.071 1.00 0.00 H new ATOM 25 N THR A 4 8.350 9.240 -9.820 1.00 0.00 N ATOM 26 CA THR A 4 7.590 8.970 -11.060 1.00 0.00 C ATOM 27 C THR A 4 6.570 7.840 -10.810 1.00 0.00 C ATOM 28 O THR A 4 6.880 6.660 -10.950 1.00 0.00 O ATOM 29 CB THR A 4 8.520 8.660 -12.250 1.00 0.00 C ATOM 30 OG1 THR A 4 9.480 9.720 -12.360 1.00 0.00 O ATOM 31 CG2 THR A 4 7.750 8.550 -13.570 1.00 0.00 C ATOM 0 H THR A 4 9.148 8.620 -9.683 1.00 0.00 H new ATOM 0 HA THR A 4 7.043 9.872 -11.334 1.00 0.00 H new ATOM 0 HB THR A 4 9.003 7.700 -12.066 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.285 10.257 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.446 8.331 -14.380 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.015 7.749 -13.497 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.241 9.492 -13.774 1.00 0.00 H new ATOM 34 N LEU A 5 5.410 8.270 -10.340 1.00 0.00 N ATOM 35 CA LEU A 5 4.330 7.390 -9.850 1.00 0.00 C ATOM 36 C LEU A 5 2.960 7.820 -10.410 1.00 0.00 C ATOM 37 O LEU A 5 2.700 9.000 -10.590 1.00 0.00 O ATOM 38 CB LEU A 5 4.290 7.360 -8.310 1.00 0.00 C ATOM 39 CG LEU A 5 5.260 6.330 -7.700 1.00 0.00 C ATOM 40 CD1 LEU A 5 6.690 6.860 -7.600 1.00 0.00 C ATOM 41 CD2 LEU A 5 4.800 5.970 -6.280 1.00 0.00 C ATOM 0 H LEU A 5 5.176 9.261 -10.282 1.00 0.00 H new ATOM 0 HA LEU A 5 4.546 6.383 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.534 8.351 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.275 7.133 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 5 5.253 5.463 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.332 6.095 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.054 7.115 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.705 7.749 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.487 5.241 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.789 6.868 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.797 5.545 -6.319 1.00 0.00 H new ATOM 43 N CYS A 6 2.110 6.820 -10.640 1.00 0.00 N ATOM 44 CA CYS A 6 0.820 7.010 -11.340 1.00 0.00 C ATOM 45 C CYS A 6 -0.410 6.620 -10.510 1.00 0.00 C ATOM 46 O CYS A 6 -0.360 5.730 -9.670 1.00 0.00 O ATOM 47 CB CYS A 6 0.840 6.220 -12.650 1.00 0.00 C ATOM 48 SG CYS A 6 2.060 6.850 -13.860 1.00 0.00 S ATOM 0 H CYS A 6 2.286 5.857 -10.352 1.00 0.00 H new ATOM 0 HA CYS A 6 0.721 8.079 -11.528 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.062 5.175 -12.432 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.153 6.249 -13.098 1.00 0.00 H new ATOM 50 N GLY A 7 -1.490 7.390 -10.700 1.00 0.00 N ATOM 51 CA GLY A 7 -2.820 7.140 -10.090 1.00 0.00 C ATOM 52 C GLY A 7 -2.770 7.140 -8.550 1.00 0.00 C ATOM 53 O GLY A 7 -2.150 8.000 -7.940 1.00 0.00 O ATOM 0 H GLY A 7 -1.472 8.221 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.521 7.903 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.202 6.180 -10.438 1.00 0.00 H new ATOM 55 N ALA A 8 -3.380 6.120 -7.960 1.00 0.00 N ATOM 56 CA ALA A 8 -3.250 5.820 -6.510 1.00 0.00 C ATOM 57 C ALA A 8 -1.820 5.990 -5.950 1.00 0.00 C ATOM 58 O ALA A 8 -1.610 6.780 -5.030 1.00 0.00 O ATOM 59 CB ALA A 8 -3.750 4.410 -6.230 1.00 0.00 C ATOM 0 H ALA A 8 -3.983 5.467 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.863 6.559 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.653 4.194 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.797 4.330 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.159 3.694 -6.801 1.00 0.00 H new ATOM 61 N GLU A 9 -0.830 5.470 -6.680 1.00 0.00 N ATOM 62 CA GLU A 9 0.590 5.550 -6.320 1.00 0.00 C ATOM 63 C GLU A 9 1.180 6.960 -6.210 1.00 0.00 C ATOM 64 O GLU A 9 1.960 7.220 -5.290 1.00 0.00 O ATOM 65 CB GLU A 9 1.410 4.720 -7.320 1.00 0.00 C ATOM 66 CG GLU A 9 1.000 3.250 -7.460 1.00 0.00 C ATOM 67 CD GLU A 9 0.040 3.040 -8.640 1.00 0.00 C ATOM 68 OE1 GLU A 9 -1.180 3.190 -8.410 1.00 0.00 O ATOM 69 OE2 GLU A 9 0.560 2.800 -9.750 1.00 0.00 O ATOM 0 H GLU A 9 -0.995 4.972 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 9 0.650 5.150 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.339 5.192 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.458 4.759 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.889 2.636 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.523 2.915 -6.539 1.00 0.00 H new ATOM 71 N LEU A 10 0.660 7.890 -7.010 1.00 0.00 N ATOM 72 CA LEU A 10 1.080 9.310 -6.900 1.00 0.00 C ATOM 73 C LEU A 10 0.500 10.040 -5.680 1.00 0.00 C ATOM 74 O LEU A 10 1.180 10.880 -5.110 1.00 0.00 O ATOM 75 CB LEU A 10 0.970 10.120 -8.210 1.00 0.00 C ATOM 76 CG LEU A 10 -0.430 10.440 -8.740 1.00 0.00 C ATOM 77 CD1 LEU A 10 -1.070 11.640 -8.030 1.00 0.00 C ATOM 78 CD2 LEU A 10 -0.340 10.760 -10.230 1.00 0.00 C ATOM 0 H LEU A 10 -0.038 7.705 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 10 2.152 9.246 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.496 11.064 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.505 9.573 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.052 9.565 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.061 11.822 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.156 11.429 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.448 12.523 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.334 10.989 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.313 11.620 -10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.065 9.900 -10.763 1.00 0.00 H new ATOM 80 N VAL A 11 -0.680 9.610 -5.230 1.00 0.00 N ATOM 81 CA VAL A 11 -1.270 10.060 -3.950 1.00 0.00 C ATOM 82 C VAL A 11 -0.440 9.550 -2.760 1.00 0.00 C ATOM 83 O VAL A 11 -0.100 10.310 -1.860 1.00 0.00 O ATOM 84 CB VAL A 11 -2.760 9.640 -3.840 1.00 0.00 C ATOM 85 CG1 VAL A 11 -3.410 10.180 -2.570 1.00 0.00 C ATOM 86 CG2 VAL A 11 -3.580 10.140 -5.040 1.00 0.00 C ATOM 0 H VAL A 11 -1.260 8.940 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.244 11.149 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.761 8.550 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.452 9.863 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.881 9.794 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.361 11.269 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.618 9.827 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.532 11.228 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.172 9.720 -5.960 1.00 0.00 H new ATOM 88 N ASP A 12 -0.030 8.280 -2.830 1.00 0.00 N ATOM 89 CA ASP A 12 0.970 7.700 -1.910 1.00 0.00 C ATOM 90 C ASP A 12 2.310 8.480 -1.900 1.00 0.00 C ATOM 91 O ASP A 12 2.800 8.880 -0.850 1.00 0.00 O ATOM 92 CB ASP A 12 1.230 6.220 -2.230 1.00 0.00 C ATOM 93 CG ASP A 12 0.010 5.330 -1.980 1.00 0.00 C ATOM 94 OD1 ASP A 12 -0.750 5.150 -2.960 1.00 0.00 O ATOM 95 OD2 ASP A 12 -0.100 4.790 -0.860 1.00 0.00 O ATOM 0 H ASP A 12 -0.379 7.619 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 12 0.539 7.782 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.533 6.127 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.063 5.864 -1.624 1.00 0.00 H new ATOM 97 N ALA A 13 2.830 8.740 -3.100 1.00 0.00 N ATOM 98 CA ALA A 13 4.060 9.540 -3.290 1.00 0.00 C ATOM 99 C ALA A 13 3.970 11.000 -2.810 1.00 0.00 C ATOM 100 O ALA A 13 4.930 11.520 -2.240 1.00 0.00 O ATOM 101 CB ALA A 13 4.430 9.460 -4.780 1.00 0.00 C ATOM 0 H ALA A 13 2.418 8.407 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 13 4.838 9.114 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.335 10.039 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.603 8.420 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.614 9.864 -5.380 1.00 0.00 H new ATOM 103 N LEU A 14 2.830 11.650 -3.030 1.00 0.00 N ATOM 104 CA LEU A 14 2.480 12.940 -2.380 1.00 0.00 C ATOM 105 C LEU A 14 2.840 13.030 -0.890 1.00 0.00 C ATOM 106 O LEU A 14 3.460 14.010 -0.490 1.00 0.00 O ATOM 107 CB LEU A 14 0.980 13.250 -2.540 1.00 0.00 C ATOM 108 CG LEU A 14 0.610 13.920 -3.860 1.00 0.00 C ATOM 109 CD1 LEU A 14 -0.910 13.970 -3.990 1.00 0.00 C ATOM 110 CD2 LEU A 14 1.180 15.340 -3.950 1.00 0.00 C ATOM 0 H LEU A 14 2.110 11.307 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 14 3.091 13.677 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.418 12.321 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.665 13.895 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 14 1.040 13.334 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.179 14.448 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.310 12.956 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.327 14.541 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.896 15.786 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.783 15.944 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.267 15.301 -3.877 1.00 0.00 H new ATOM 112 N GLN A 15 2.600 11.960 -0.130 1.00 0.00 N ATOM 113 CA GLN A 15 2.890 11.870 1.310 1.00 0.00 C ATOM 114 C GLN A 15 4.340 12.190 1.690 1.00 0.00 C ATOM 115 O GLN A 15 4.560 13.030 2.560 1.00 0.00 O ATOM 116 CB GLN A 15 2.490 10.480 1.800 1.00 0.00 C ATOM 117 CG GLN A 15 0.970 10.250 1.710 1.00 0.00 C ATOM 118 CD GLN A 15 0.590 8.830 2.150 1.00 0.00 C ATOM 119 OE1 GLN A 15 0.470 7.900 1.370 1.00 0.00 O ATOM 120 NE2 GLN A 15 0.340 8.660 3.430 1.00 0.00 N ATOM 0 H GLN A 15 2.187 11.106 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 15 2.302 12.643 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.006 9.725 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.815 10.352 2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.453 10.977 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.636 10.417 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.442 9.441 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.044 7.747 3.775 1.00 0.00 H new ATOM 124 N PHE A 16 5.300 11.730 0.880 1.00 0.00 N ATOM 125 CA PHE A 16 6.730 12.040 1.090 1.00 0.00 C ATOM 126 C PHE A 16 7.160 13.390 0.440 1.00 0.00 C ATOM 127 O PHE A 16 8.220 13.520 -0.170 1.00 0.00 O ATOM 128 CB PHE A 16 7.580 10.800 0.790 1.00 0.00 C ATOM 129 CG PHE A 16 8.170 10.580 -0.600 1.00 0.00 C ATOM 130 CD1 PHE A 16 7.410 9.920 -1.590 1.00 0.00 C ATOM 131 CD2 PHE A 16 9.570 10.720 -0.760 1.00 0.00 C ATOM 132 CE1 PHE A 16 8.040 9.400 -2.740 1.00 0.00 C ATOM 133 CE2 PHE A 16 10.210 10.190 -1.900 1.00 0.00 C ATOM 134 CZ PHE A 16 9.430 9.540 -2.880 1.00 0.00 C ATOM 0 H PHE A 16 5.118 11.139 0.069 1.00 0.00 H new ATOM 0 HA PHE A 16 6.921 12.253 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.411 10.802 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.968 9.928 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.342 9.813 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.149 11.234 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.461 8.901 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.279 10.280 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.914 9.141 -3.759 1.00 0.00 H new ATOM 136 N VAL A 17 6.170 14.280 0.310 1.00 0.00 N ATOM 137 CA VAL A 17 6.300 15.730 0.580 1.00 0.00 C ATOM 138 C VAL A 17 5.270 16.160 1.640 1.00 0.00 C ATOM 139 O VAL A 17 5.590 16.280 2.820 1.00 0.00 O ATOM 140 CB VAL A 17 6.180 16.570 -0.720 1.00 0.00 C ATOM 141 CG1 VAL A 17 6.130 18.080 -0.490 1.00 0.00 C ATOM 142 CG2 VAL A 17 7.370 16.310 -1.630 1.00 0.00 C ATOM 0 H VAL A 17 5.233 14.014 0.008 1.00 0.00 H new ATOM 0 HA VAL A 17 7.298 15.920 0.976 1.00 0.00 H new ATOM 0 HB VAL A 17 5.236 16.255 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.046 18.592 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.267 18.325 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.041 18.402 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.271 16.906 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.290 16.585 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.403 15.253 -1.892 1.00 0.00 H new ATOM 144 N CYS A 18 4.010 16.180 1.240 1.00 0.00 N ATOM 145 CA CYS A 18 2.950 16.970 1.890 1.00 0.00 C ATOM 146 C CYS A 18 2.150 16.300 3.020 1.00 0.00 C ATOM 147 O CYS A 18 1.090 16.780 3.420 1.00 0.00 O ATOM 148 CB CYS A 18 2.020 17.610 0.870 1.00 0.00 C ATOM 149 SG CYS A 18 1.800 16.760 -0.740 1.00 0.00 S ATOM 0 H CYS A 18 3.677 15.641 0.440 1.00 0.00 H new ATOM 0 HA CYS A 18 3.522 17.736 2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.038 17.713 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.385 18.617 0.670 1.00 0.00 H new ATOM 151 N GLY A 19 2.940 15.520 3.750 1.00 0.00 N ATOM 152 CA GLY A 19 2.520 14.630 4.860 1.00 0.00 C ATOM 153 C GLY A 19 1.570 15.300 5.850 1.00 0.00 C ATOM 154 O GLY A 19 0.400 14.920 5.960 1.00 0.00 O ATOM 0 H GLY A 19 3.946 15.479 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.035 13.747 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.405 14.286 5.394 1.00 0.00 H new ATOM 156 N ASP A 20 2.120 16.250 6.600 1.00 0.00 N ATOM 157 CA ASP A 20 1.320 17.240 7.370 1.00 0.00 C ATOM 158 C ASP A 20 0.720 18.350 6.500 1.00 0.00 C ATOM 159 O ASP A 20 -0.500 18.540 6.510 1.00 0.00 O ATOM 160 CB ASP A 20 2.150 17.830 8.520 1.00 0.00 C ATOM 161 CG ASP A 20 3.370 18.640 8.070 1.00 0.00 C ATOM 162 OD1 ASP A 20 4.280 18.010 7.500 1.00 0.00 O ATOM 163 OD2 ASP A 20 3.320 19.880 8.210 1.00 0.00 O ATOM 0 H ASP A 20 3.128 16.368 6.701 1.00 0.00 H new ATOM 0 HA ASP A 20 0.473 16.694 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.507 18.470 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.486 17.017 9.163 1.00 0.00 H new ATOM 165 N ARG A 21 1.520 18.840 5.560 1.00 0.00 N ATOM 166 CA ARG A 21 1.420 20.180 4.940 1.00 0.00 C ATOM 167 C ARG A 21 0.060 20.500 4.290 1.00 0.00 C ATOM 168 O ARG A 21 -0.410 21.640 4.390 1.00 0.00 O ATOM 169 CB ARG A 21 2.530 20.250 3.890 1.00 0.00 C ATOM 170 CG ARG A 21 3.940 20.340 4.470 1.00 0.00 C ATOM 171 CD ARG A 21 4.970 20.070 3.370 1.00 0.00 C ATOM 172 NE ARG A 21 6.330 20.430 3.800 1.00 0.00 N ATOM 173 CZ ARG A 21 7.180 21.210 3.120 1.00 0.00 C ATOM 174 NH1 ARG A 21 6.860 21.750 1.950 1.00 0.00 N ATOM 175 NH2 ARG A 21 8.380 21.480 3.600 1.00 0.00 N ATOM 0 H ARG A 21 2.297 18.297 5.183 1.00 0.00 H new ATOM 0 HA ARG A 21 1.522 20.926 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.468 19.368 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.356 21.117 3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.104 21.328 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.058 19.617 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.942 19.015 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.708 20.639 2.478 1.00 0.00 H new ATOM 0 HE ARG A 21 6.653 20.054 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.942 21.575 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.532 22.339 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.669 21.093 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.018 22.076 3.072 1.00 0.00 H new ATOM 182 N GLY A 22 -0.490 19.510 3.590 1.00 0.00 N ATOM 183 CA GLY A 22 -1.830 19.570 2.980 1.00 0.00 C ATOM 184 C GLY A 22 -1.810 18.970 1.570 1.00 0.00 C ATOM 185 O GLY A 22 -0.840 19.090 0.830 1.00 0.00 O ATOM 0 H GLY A 22 -0.013 18.624 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.543 19.028 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.169 20.605 2.936 1.00 0.00 H new ATOM 187 N PHE A 23 -2.800 18.110 1.370 1.00 0.00 N ATOM 188 CA PHE A 23 -3.140 17.560 0.040 1.00 0.00 C ATOM 189 C PHE A 23 -4.550 18.010 -0.370 1.00 0.00 C ATOM 190 O PHE A 23 -5.490 18.010 0.420 1.00 0.00 O ATOM 191 CB PHE A 23 -3.210 16.030 0.060 1.00 0.00 C ATOM 192 CG PHE A 23 -2.110 15.330 0.850 1.00 0.00 C ATOM 193 CD1 PHE A 23 -2.260 15.080 2.230 1.00 0.00 C ATOM 194 CD2 PHE A 23 -0.970 14.870 0.150 1.00 0.00 C ATOM 195 CE1 PHE A 23 -1.260 14.380 2.930 1.00 0.00 C ATOM 196 CE2 PHE A 23 0.030 14.170 0.850 1.00 0.00 C ATOM 197 CZ PHE A 23 -0.120 13.930 2.230 1.00 0.00 C ATOM 0 H PHE A 23 -3.399 17.766 2.120 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.365 17.912 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.174 15.734 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.180 15.669 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.142 15.426 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.868 15.054 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.363 14.190 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.909 13.818 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.651 13.392 2.762 1.00 0.00 H new ATOM 199 N TYR A 24 -4.610 18.350 -1.650 1.00 0.00 N ATOM 200 CA TYR A 24 -5.840 18.530 -2.450 1.00 0.00 C ATOM 201 C TYR A 24 -5.410 18.590 -3.930 1.00 0.00 C ATOM 202 O TYR A 24 -5.310 19.650 -4.540 1.00 0.00 O ATOM 203 CB TYR A 24 -6.600 19.800 -2.020 1.00 0.00 C ATOM 204 CG TYR A 24 -7.960 19.920 -2.720 1.00 0.00 C ATOM 205 CD1 TYR A 24 -8.940 18.950 -2.450 1.00 0.00 C ATOM 206 CD2 TYR A 24 -8.110 20.860 -3.770 1.00 0.00 C ATOM 207 CE1 TYR A 24 -10.070 18.860 -3.290 1.00 0.00 C ATOM 208 CE2 TYR A 24 -9.230 20.770 -4.610 1.00 0.00 C ATOM 209 CZ TYR A 24 -10.190 19.760 -4.370 1.00 0.00 C ATOM 210 OH TYR A 24 -11.130 19.480 -5.310 1.00 0.00 O ATOM 0 H TYR A 24 -3.766 18.519 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.531 17.701 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.748 19.786 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.996 20.678 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.830 18.281 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.373 21.634 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.830 18.115 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.357 21.463 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.793 19.733 -6.195 1.00 0.00 H new ATOM 213 N PHE A 25 -5.280 17.390 -4.490 1.00 0.00 N ATOM 214 CA PHE A 25 -4.380 17.070 -5.620 1.00 0.00 C ATOM 215 C PHE A 25 -4.520 18.020 -6.830 1.00 0.00 C ATOM 216 O PHE A 25 -5.450 17.930 -7.630 1.00 0.00 O ATOM 217 CB PHE A 25 -4.500 15.590 -6.010 1.00 0.00 C ATOM 218 CG PHE A 25 -5.880 15.110 -6.480 1.00 0.00 C ATOM 219 CD1 PHE A 25 -6.890 14.820 -5.530 1.00 0.00 C ATOM 220 CD2 PHE A 25 -6.050 14.750 -7.840 1.00 0.00 C ATOM 221 CE1 PHE A 25 -8.070 14.150 -5.940 1.00 0.00 C ATOM 222 CE2 PHE A 25 -7.210 14.070 -8.250 1.00 0.00 C ATOM 223 CZ PHE A 25 -8.210 13.770 -7.300 1.00 0.00 C ATOM 0 H PHE A 25 -5.810 16.581 -4.167 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.365 17.243 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.781 15.388 -6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.204 14.987 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.761 15.108 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.287 14.999 -8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -8.852 13.932 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.335 13.780 -9.283 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.098 13.242 -7.614 1.00 0.00 H new ATOM 225 N ASN A 26 -3.560 18.930 -6.900 1.00 0.00 N ATOM 226 CA ASN A 26 -3.750 20.220 -7.600 1.00 0.00 C ATOM 227 C ASN A 26 -3.070 20.280 -8.980 1.00 0.00 C ATOM 228 O ASN A 26 -2.190 19.490 -9.310 1.00 0.00 O ATOM 229 CB ASN A 26 -3.350 21.330 -6.630 1.00 0.00 C ATOM 230 CG ASN A 26 -4.390 22.450 -6.640 1.00 0.00 C ATOM 231 OD1 ASN A 26 -4.280 23.440 -7.350 1.00 0.00 O ATOM 232 ND2 ASN A 26 -5.410 22.290 -5.830 1.00 0.00 N ATOM 0 H ASN A 26 -2.636 18.812 -6.485 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.798 20.354 -7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.254 20.924 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.374 21.729 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.139 23.002 -5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.474 21.453 -5.250 1.00 0.00 H new ATOM 236 N LYS A 27 -3.310 21.400 -9.660 1.00 0.00 N ATOM 237 CA LYS A 27 -4.330 21.540 -10.730 1.00 0.00 C ATOM 238 C LYS A 27 -5.610 22.020 -10.020 1.00 0.00 C ATOM 239 O LYS A 27 -6.110 21.280 -9.170 1.00 0.00 O ATOM 240 CB LYS A 27 -4.560 20.310 -11.650 1.00 0.00 C ATOM 241 CG LYS A 27 -5.200 19.070 -11.010 1.00 0.00 C ATOM 242 CD LYS A 27 -5.300 17.850 -11.940 1.00 0.00 C ATOM 243 CE LYS A 27 -5.980 16.690 -11.210 1.00 0.00 C ATOM 244 NZ LYS A 27 -7.440 16.870 -11.140 1.00 0.00 N ATOM 0 H LYS A 27 -2.795 22.263 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.965 22.257 -11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.189 20.623 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.598 20.016 -12.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.621 18.792 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.201 19.331 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.866 18.110 -12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.305 17.550 -12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.753 15.755 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.575 16.608 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.877 16.013 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.661 17.683 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.815 17.042 -12.095 1.00 0.00 H new ATOM 248 N PRO A 28 -5.970 23.320 -10.130 1.00 0.00 N ATOM 249 CA PRO A 28 -7.070 23.940 -9.350 1.00 0.00 C ATOM 250 C PRO A 28 -8.460 23.370 -9.670 1.00 0.00 C ATOM 251 O PRO A 28 -9.390 24.050 -10.100 1.00 0.00 O ATOM 252 CB PRO A 28 -6.940 25.440 -9.620 1.00 0.00 C ATOM 253 CG PRO A 28 -6.280 25.510 -10.990 1.00 0.00 C ATOM 254 CD PRO A 28 -5.310 24.330 -10.970 1.00 0.00 C ATOM 0 HA PRO A 28 -6.978 23.716 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.913 25.932 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.334 25.932 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.010 25.418 -11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.760 26.456 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.127 23.951 -11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.343 24.619 -10.557 1.00 0.00 H new ATOM 255 N THR A 29 -8.550 22.080 -9.370 1.00 0.00 N ATOM 256 CA THR A 29 -9.680 21.180 -9.680 1.00 0.00 C ATOM 257 C THR A 29 -9.850 20.100 -8.620 1.00 0.00 C ATOM 258 O THR A 29 -10.920 19.950 -8.030 1.00 0.00 O ATOM 259 CB THR A 29 -9.510 20.540 -11.070 1.00 0.00 C ATOM 260 OG1 THR A 29 -8.220 19.940 -11.220 1.00 0.00 O ATOM 261 CG2 THR A 29 -9.790 21.540 -12.180 1.00 0.00 C ATOM 0 H THR A 29 -7.800 21.596 -8.876 1.00 0.00 H new ATOM 0 HA THR A 29 -10.583 21.790 -9.684 1.00 0.00 H new ATOM 0 HB THR A 29 -10.249 19.743 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.973 19.929 -12.168 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.661 21.055 -13.148 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.813 21.905 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.097 22.378 -12.098 1.00 0.00 H new ATOM 264 N GLY A 30 -8.740 19.420 -8.370 1.00 0.00 N ATOM 265 CA GLY A 30 -8.580 18.380 -7.330 1.00 0.00 C ATOM 266 C GLY A 30 -9.460 17.170 -7.630 1.00 0.00 C ATOM 267 O GLY A 30 -9.290 16.500 -8.640 1.00 0.00 O ATOM 0 H GLY A 30 -7.883 19.575 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.536 18.071 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.841 18.792 -6.355 1.00 0.00 H new ATOM 269 N TYR A 31 -10.560 17.150 -6.870 1.00 0.00 N ATOM 270 CA TYR A 31 -11.690 16.210 -7.040 1.00 0.00 C ATOM 271 C TYR A 31 -12.310 16.240 -8.450 1.00 0.00 C ATOM 272 O TYR A 31 -12.790 15.210 -8.910 1.00 0.00 O ATOM 273 CB TYR A 31 -12.790 16.470 -6.000 1.00 0.00 C ATOM 274 CG TYR A 31 -12.410 16.230 -4.540 1.00 0.00 C ATOM 275 CD1 TYR A 31 -11.440 15.270 -4.170 1.00 0.00 C ATOM 276 CD2 TYR A 31 -13.130 16.960 -3.560 1.00 0.00 C ATOM 277 CE1 TYR A 31 -11.170 15.040 -2.800 1.00 0.00 C ATOM 278 CE2 TYR A 31 -12.870 16.730 -2.190 1.00 0.00 C ATOM 279 CZ TYR A 31 -11.890 15.780 -1.830 1.00 0.00 C ATOM 280 OH TYR A 31 -11.610 15.580 -0.520 1.00 0.00 O ATOM 0 H TYR A 31 -10.700 17.801 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.263 15.218 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.120 17.504 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.644 15.837 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.908 14.715 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.871 17.686 -3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.429 14.314 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.413 17.273 -1.430 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.181 16.157 0.028 1.00 0.00 H new ATOM 283 N GLY A 32 -12.270 17.410 -9.090 1.00 0.00 N ATOM 284 CA GLY A 32 -12.460 17.580 -10.550 1.00 0.00 C ATOM 285 C GLY A 32 -11.300 16.920 -11.320 1.00 0.00 C ATOM 286 O GLY A 32 -10.550 17.570 -12.060 1.00 0.00 O ATOM 0 H GLY A 32 -12.101 18.292 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.407 17.135 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.512 18.641 -10.796 1.00 0.00 H new ATOM 288 N SER A 33 -11.340 15.600 -11.280 1.00 0.00 N ATOM 289 CA SER A 33 -10.170 14.720 -11.450 1.00 0.00 C ATOM 290 C SER A 33 -9.680 14.690 -12.900 1.00 0.00 C ATOM 291 O SER A 33 -10.480 14.600 -13.830 1.00 0.00 O ATOM 292 CB SER A 33 -10.490 13.310 -10.960 1.00 0.00 C ATOM 293 OG SER A 33 -10.750 13.330 -9.550 1.00 0.00 O ATOM 0 H SER A 33 -12.206 15.084 -11.125 1.00 0.00 H new ATOM 0 HA SER A 33 -9.361 15.130 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.357 12.919 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.655 12.643 -11.175 1.00 0.00 H new ATOM 0 HG SER A 33 -11.475 13.961 -9.360 1.00 0.00 H new ATOM 296 N SER A 34 -8.410 15.060 -13.040 1.00 0.00 N ATOM 297 CA SER A 34 -7.670 15.050 -14.330 1.00 0.00 C ATOM 298 C SER A 34 -8.130 16.160 -15.310 1.00 0.00 C ATOM 299 O SER A 34 -7.820 16.130 -16.500 1.00 0.00 O ATOM 300 CB SER A 34 -7.680 13.660 -14.980 1.00 0.00 C ATOM 301 OG SER A 34 -6.860 13.650 -16.160 1.00 0.00 O ATOM 0 H SER A 34 -7.843 15.383 -12.256 1.00 0.00 H new ATOM 0 HA SER A 34 -6.634 15.287 -14.087 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.315 12.918 -14.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.701 13.380 -15.237 1.00 0.00 H new ATOM 0 HG SER A 34 -6.963 14.500 -16.637 1.00 0.00 H new ATOM 304 N SER A 35 -8.790 17.180 -14.770 1.00 0.00 N ATOM 305 CA SER A 35 -8.780 18.520 -15.390 1.00 0.00 C ATOM 306 C SER A 35 -7.480 19.240 -15.010 1.00 0.00 C ATOM 307 O SER A 35 -7.320 19.820 -13.930 1.00 0.00 O ATOM 308 CB SER A 35 -10.000 19.370 -15.040 1.00 0.00 C ATOM 309 OG SER A 35 -9.850 20.630 -15.700 1.00 0.00 O ATOM 0 H SER A 35 -9.337 17.115 -13.912 1.00 0.00 H new ATOM 0 HA SER A 35 -8.831 18.378 -16.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.917 18.876 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.074 19.509 -13.961 1.00 0.00 H new ATOM 0 HG SER A 35 -10.392 20.638 -16.517 1.00 0.00 H new ATOM 312 N ARG A 36 -6.540 19.060 -15.940 1.00 0.00 N ATOM 313 CA ARG A 36 -5.090 19.330 -15.780 1.00 0.00 C ATOM 314 C ARG A 36 -4.700 20.820 -15.810 1.00 0.00 C ATOM 315 O ARG A 36 -3.520 21.160 -15.880 1.00 0.00 O ATOM 316 CB ARG A 36 -4.340 18.610 -16.920 1.00 0.00 C ATOM 317 CG ARG A 36 -4.610 17.110 -17.080 1.00 0.00 C ATOM 318 CD ARG A 36 -4.120 16.270 -15.900 1.00 0.00 C ATOM 319 NE ARG A 36 -4.220 14.840 -16.240 1.00 0.00 N ATOM 320 CZ ARG A 36 -3.330 14.100 -16.920 1.00 0.00 C ATOM 321 NH1 ARG A 36 -2.200 14.600 -17.410 1.00 0.00 N ATOM 322 NH2 ARG A 36 -3.630 12.840 -17.200 1.00 0.00 N ATOM 0 H ARG A 36 -6.767 18.707 -16.870 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.818 18.966 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.592 19.103 -17.859 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.270 18.749 -16.765 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.681 16.954 -17.206 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.127 16.758 -17.991 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.088 16.527 -15.661 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.716 16.487 -15.013 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.061 14.358 -15.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.978 15.587 -17.276 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.555 13.997 -17.920 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.523 12.450 -16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.968 12.261 -17.716 1.00 0.00 H new ATOM 329 N ARG A 37 -5.680 21.700 -15.600 1.00 0.00 N ATOM 330 CA ARG A 37 -5.570 23.150 -15.890 1.00 0.00 C ATOM 331 C ARG A 37 -4.830 23.970 -14.810 1.00 0.00 C ATOM 332 O ARG A 37 -5.370 24.850 -14.150 1.00 0.00 O ATOM 333 CB ARG A 37 -6.960 23.720 -16.250 1.00 0.00 C ATOM 334 CG ARG A 37 -8.060 23.450 -15.210 1.00 0.00 C ATOM 335 CD ARG A 37 -9.390 24.030 -15.680 1.00 0.00 C ATOM 336 NE ARG A 37 -10.450 23.670 -14.720 1.00 0.00 N ATOM 337 CZ ARG A 37 -11.600 23.030 -15.010 1.00 0.00 C ATOM 338 NH1 ARG A 37 -11.930 22.670 -16.240 1.00 0.00 N ATOM 339 NH2 ARG A 37 -12.420 22.700 -14.030 1.00 0.00 N ATOM 0 H ARG A 37 -6.588 21.433 -15.219 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.920 23.253 -16.759 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.870 24.797 -16.390 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.273 23.299 -17.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.161 22.377 -15.048 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.781 23.892 -14.253 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.316 25.114 -15.767 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.636 23.647 -16.670 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.299 23.930 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.302 22.875 -17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.812 22.187 -16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.180 22.930 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.293 22.215 -14.237 1.00 0.00 H new ATOM 346 N ALA A 38 -3.530 23.710 -14.740 1.00 0.00 N ATOM 347 CA ALA A 38 -2.640 24.220 -13.690 1.00 0.00 C ATOM 348 C ALA A 38 -1.620 25.270 -14.170 1.00 0.00 C ATOM 349 O ALA A 38 -1.010 25.110 -15.220 1.00 0.00 O ATOM 350 CB ALA A 38 -1.890 23.060 -13.060 1.00 0.00 C ATOM 0 H ALA A 38 -3.049 23.126 -15.424 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.286 24.725 -12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.228 23.436 -12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.603 22.359 -12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.300 22.551 -13.822 1.00 0.00 H new ATOM 352 N PRO A 39 -1.420 26.310 -13.340 1.00 0.00 N ATOM 353 CA PRO A 39 -0.140 27.040 -13.270 1.00 0.00 C ATOM 354 C PRO A 39 0.970 26.120 -12.750 1.00 0.00 C ATOM 355 O PRO A 39 1.980 25.900 -13.420 1.00 0.00 O ATOM 356 CB PRO A 39 -0.410 28.200 -12.310 1.00 0.00 C ATOM 357 CG PRO A 39 -1.910 28.440 -12.450 1.00 0.00 C ATOM 358 CD PRO A 39 -2.490 27.040 -12.630 1.00 0.00 C ATOM 0 HA PRO A 39 0.199 27.396 -14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.139 27.944 -11.286 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.165 29.086 -12.580 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.320 28.932 -11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.135 29.078 -13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.724 26.577 -11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.414 27.060 -13.208 1.00 0.00 H new ATOM 359 N GLN A 40 0.690 25.440 -11.640 1.00 0.00 N ATOM 360 CA GLN A 40 1.600 24.490 -10.980 1.00 0.00 C ATOM 361 C GLN A 40 1.410 23.050 -11.480 1.00 0.00 C ATOM 362 O GLN A 40 0.730 22.240 -10.850 1.00 0.00 O ATOM 363 CB GLN A 40 1.490 24.620 -9.450 1.00 0.00 C ATOM 364 CG GLN A 40 0.300 25.380 -8.840 1.00 0.00 C ATOM 365 CD GLN A 40 -1.050 24.660 -8.900 1.00 0.00 C ATOM 366 OE1 GLN A 40 -1.640 24.430 -9.950 1.00 0.00 O ATOM 367 NE2 GLN A 40 -1.570 24.340 -7.740 1.00 0.00 N ATOM 0 H GLN A 40 -0.203 25.534 -11.156 1.00 0.00 H new ATOM 0 HA GLN A 40 2.622 24.751 -11.256 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.481 23.612 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.402 25.102 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.528 25.598 -7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.203 26.337 -9.352 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.060 24.541 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.484 23.890 -7.698 1.00 0.00 H new ATOM 371 N THR A 41 1.760 22.920 -12.760 1.00 0.00 N ATOM 372 CA THR A 41 1.950 21.690 -13.570 1.00 0.00 C ATOM 373 C THR A 41 0.800 20.710 -13.790 1.00 0.00 C ATOM 374 O THR A 41 0.560 20.260 -14.920 1.00 0.00 O ATOM 375 CB THR A 41 3.220 20.910 -13.200 1.00 0.00 C ATOM 376 OG1 THR A 41 3.240 20.620 -11.800 1.00 0.00 O ATOM 377 CG2 THR A 41 4.480 21.640 -13.660 1.00 0.00 C ATOM 0 H THR A 41 1.938 23.751 -13.323 1.00 0.00 H new ATOM 0 HA THR A 41 2.032 22.176 -14.542 1.00 0.00 H new ATOM 0 HB THR A 41 3.205 19.958 -13.731 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.117 20.258 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.359 21.059 -13.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.454 21.763 -14.743 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.527 22.620 -13.185 1.00 0.00 H new ATOM 380 N GLY A 42 0.110 20.390 -12.710 1.00 0.00 N ATOM 381 CA GLY A 42 -0.960 19.390 -12.660 1.00 0.00 C ATOM 382 C GLY A 42 -0.390 18.050 -12.200 1.00 0.00 C ATOM 383 O GLY A 42 0.540 17.520 -12.800 1.00 0.00 O ATOM 0 H GLY A 42 0.280 20.832 -11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.744 19.716 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.418 19.283 -13.644 1.00 0.00 H new ATOM 385 N ILE A 43 -0.830 17.680 -11.010 1.00 0.00 N ATOM 386 CA ILE A 43 -0.560 16.380 -10.350 1.00 0.00 C ATOM 387 C ILE A 43 -0.080 15.230 -11.260 1.00 0.00 C ATOM 388 O ILE A 43 1.110 14.920 -11.270 1.00 0.00 O ATOM 389 CB ILE A 43 -1.680 16.100 -9.330 1.00 0.00 C ATOM 390 CG1 ILE A 43 -1.150 16.290 -7.900 1.00 0.00 C ATOM 391 CG2 ILE A 43 -2.510 14.810 -9.490 1.00 0.00 C ATOM 392 CD1 ILE A 43 0.030 15.380 -7.520 1.00 0.00 C ATOM 0 H ILE A 43 -1.412 18.292 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 43 0.363 16.458 -9.775 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.435 16.851 -9.563 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.843 17.329 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.966 16.114 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.256 14.757 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.009 14.817 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.852 13.944 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.334 15.587 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.273 14.336 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.867 15.570 -8.192 1.00 0.00 H new ATOM 394 N VAL A 44 -0.950 14.820 -12.190 1.00 0.00 N ATOM 395 CA VAL A 44 -0.680 13.670 -13.090 1.00 0.00 C ATOM 396 C VAL A 44 0.410 13.980 -14.130 1.00 0.00 C ATOM 397 O VAL A 44 1.420 13.290 -14.200 1.00 0.00 O ATOM 398 CB VAL A 44 -1.970 13.160 -13.760 1.00 0.00 C ATOM 399 CG1 VAL A 44 -1.750 11.790 -14.400 1.00 0.00 C ATOM 400 CG2 VAL A 44 -3.130 13.010 -12.770 1.00 0.00 C ATOM 0 H VAL A 44 -1.855 15.264 -12.347 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.294 12.868 -12.462 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.224 13.910 -14.509 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.676 11.453 -14.866 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.969 11.863 -15.157 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.448 11.075 -13.635 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.013 12.648 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.854 12.299 -11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.349 13.977 -12.317 1.00 0.00 H new ATOM 402 N ASP A 45 0.320 15.210 -14.630 1.00 0.00 N ATOM 403 CA ASP A 45 1.190 15.780 -15.690 1.00 0.00 C ATOM 404 C ASP A 45 2.670 15.750 -15.280 1.00 0.00 C ATOM 405 O ASP A 45 3.540 15.480 -16.110 1.00 0.00 O ATOM 406 CB ASP A 45 0.840 17.250 -15.990 1.00 0.00 C ATOM 407 CG ASP A 45 -0.650 17.500 -16.220 1.00 0.00 C ATOM 408 OD1 ASP A 45 -1.370 17.560 -15.190 1.00 0.00 O ATOM 409 OD2 ASP A 45 -1.070 17.490 -17.400 1.00 0.00 O ATOM 0 H ASP A 45 -0.383 15.873 -14.305 1.00 0.00 H new ATOM 0 HA ASP A 45 1.021 15.162 -16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.178 17.870 -15.160 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.392 17.571 -16.873 1.00 0.00 H new ATOM 411 N GLU A 46 2.940 16.120 -14.030 1.00 0.00 N ATOM 412 CA GLU A 46 4.280 15.940 -13.450 1.00 0.00 C ATOM 413 C GLU A 46 4.520 14.490 -13.000 1.00 0.00 C ATOM 414 O GLU A 46 5.110 13.720 -13.760 1.00 0.00 O ATOM 415 CB GLU A 46 4.540 16.960 -12.330 1.00 0.00 C ATOM 416 CG GLU A 46 5.930 17.580 -12.540 1.00 0.00 C ATOM 417 CD GLU A 46 6.340 18.510 -11.410 1.00 0.00 C ATOM 418 OE1 GLU A 46 5.770 19.630 -11.350 1.00 0.00 O ATOM 419 OE2 GLU A 46 7.270 18.140 -10.650 1.00 0.00 O ATOM 0 H GLU A 46 2.259 16.543 -13.399 1.00 0.00 H new ATOM 0 HA GLU A 46 5.012 16.137 -14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.775 17.736 -12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.487 16.473 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.667 16.783 -12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.938 18.133 -13.479 1.00 0.00 H new ATOM 421 N CYS A 47 3.810 14.070 -11.950 1.00 0.00 N ATOM 422 CA CYS A 47 4.110 12.850 -11.190 1.00 0.00 C ATOM 423 C CYS A 47 4.160 11.550 -12.010 1.00 0.00 C ATOM 424 O CYS A 47 5.050 10.730 -11.820 1.00 0.00 O ATOM 425 CB CYS A 47 3.050 12.670 -10.100 1.00 0.00 C ATOM 426 SG CYS A 47 3.160 13.810 -8.670 1.00 0.00 S ATOM 0 H CYS A 47 2.997 14.575 -11.597 1.00 0.00 H new ATOM 0 HA CYS A 47 5.115 13.004 -10.796 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.067 12.786 -10.556 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.111 11.647 -9.728 1.00 0.00 H new ATOM 428 N CYS A 48 3.220 11.420 -12.950 1.00 0.00 N ATOM 429 CA CYS A 48 3.050 10.200 -13.770 1.00 0.00 C ATOM 430 C CYS A 48 3.710 10.270 -15.160 1.00 0.00 C ATOM 431 O CYS A 48 3.950 9.230 -15.760 1.00 0.00 O ATOM 432 CB CYS A 48 1.550 9.880 -13.850 1.00 0.00 C ATOM 433 SG CYS A 48 1.110 8.390 -14.800 1.00 0.00 S ATOM 0 H CYS A 48 2.549 12.156 -13.171 1.00 0.00 H new ATOM 0 HA CYS A 48 3.583 9.386 -13.278 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.167 9.768 -12.836 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.038 10.735 -14.292 1.00 0.00 H new ATOM 435 N PHE A 49 4.050 11.480 -15.630 1.00 0.00 N ATOM 436 CA PHE A 49 4.540 11.690 -16.990 1.00 0.00 C ATOM 437 C PHE A 49 6.020 12.110 -17.100 1.00 0.00 C ATOM 438 O PHE A 49 6.610 11.970 -18.180 1.00 0.00 O ATOM 439 CB PHE A 49 3.610 12.700 -17.670 1.00 0.00 C ATOM 440 CG PHE A 49 2.300 12.070 -18.120 1.00 0.00 C ATOM 441 CD1 PHE A 49 2.240 11.360 -19.350 1.00 0.00 C ATOM 442 CD2 PHE A 49 1.150 12.180 -17.300 1.00 0.00 C ATOM 443 CE1 PHE A 49 1.030 10.760 -19.750 1.00 0.00 C ATOM 444 CE2 PHE A 49 -0.060 11.580 -17.700 1.00 0.00 C ATOM 445 CZ PHE A 49 -0.110 10.880 -18.930 1.00 0.00 C ATOM 0 H PHE A 49 3.991 12.334 -15.076 1.00 0.00 H new ATOM 0 HA PHE A 49 4.519 10.726 -17.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.399 13.517 -16.980 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.117 13.133 -18.532 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.118 11.281 -19.975 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.201 12.724 -16.368 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.976 10.212 -20.679 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.939 11.653 -17.076 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.039 10.430 -19.246 1.00 0.00 H new ATOM 447 N ARG A 50 6.600 12.640 -16.030 1.00 0.00 N ATOM 448 CA ARG A 50 8.040 13.000 -15.980 1.00 0.00 C ATOM 449 C ARG A 50 8.630 12.480 -14.650 1.00 0.00 C ATOM 450 O ARG A 50 9.050 11.320 -14.560 1.00 0.00 O ATOM 451 CB ARG A 50 8.140 14.520 -16.160 1.00 0.00 C ATOM 452 CG ARG A 50 9.580 15.000 -16.320 1.00 0.00 C ATOM 453 CD ARG A 50 9.730 16.470 -15.890 1.00 0.00 C ATOM 454 NE ARG A 50 9.430 16.650 -14.460 1.00 0.00 N ATOM 455 CZ ARG A 50 10.200 16.330 -13.420 1.00 0.00 C ATOM 456 NH1 ARG A 50 11.400 15.790 -13.550 1.00 0.00 N ATOM 457 NH2 ARG A 50 9.750 16.490 -12.180 1.00 0.00 N ATOM 0 H ARG A 50 6.098 12.838 -15.164 1.00 0.00 H new ATOM 0 HA ARG A 50 8.625 12.538 -16.775 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.563 14.817 -17.036 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.690 15.014 -15.299 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.243 14.374 -15.722 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.889 14.889 -17.359 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.746 16.808 -16.094 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.061 17.093 -16.484 1.00 0.00 H new ATOM 0 HE ARG A 50 8.527 17.069 -14.239 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.776 15.600 -14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.950 15.564 -12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.812 16.859 -12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.342 16.244 -11.387 1.00 0.00 H new ATOM 464 N SER A 51 8.710 13.340 -13.630 1.00 0.00 N ATOM 465 CA SER A 51 8.630 12.900 -12.230 1.00 0.00 C ATOM 466 C SER A 51 7.770 13.920 -11.430 1.00 0.00 C ATOM 467 O SER A 51 7.240 14.850 -12.030 1.00 0.00 O ATOM 468 CB SER A 51 10.000 12.840 -11.550 1.00 0.00 C ATOM 469 OG SER A 51 10.000 11.740 -10.640 1.00 0.00 O ATOM 0 H SER A 51 8.830 14.346 -13.746 1.00 0.00 H new ATOM 0 HA SER A 51 8.197 11.900 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.788 12.718 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.202 13.771 -11.021 1.00 0.00 H new ATOM 0 HG SER A 51 9.882 10.904 -11.137 1.00 0.00 H new ATOM 472 N CYS A 52 7.580 13.780 -10.110 1.00 0.00 N ATOM 473 CA CYS A 52 7.330 14.960 -9.260 1.00 0.00 C ATOM 474 C CYS A 52 8.330 15.060 -8.090 1.00 0.00 C ATOM 475 O CYS A 52 9.050 14.100 -7.820 1.00 0.00 O ATOM 476 CB CYS A 52 5.880 15.080 -8.820 1.00 0.00 C ATOM 477 SG CYS A 52 5.090 13.620 -8.060 1.00 0.00 S ATOM 0 H CYS A 52 7.593 12.888 -9.615 1.00 0.00 H new ATOM 0 HA CYS A 52 7.511 15.832 -9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.814 15.903 -8.109 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.289 15.363 -9.691 1.00 0.00 H new ATOM 479 N ASP A 53 8.490 16.250 -7.530 1.00 0.00 N ATOM 480 CA ASP A 53 9.660 16.550 -6.660 1.00 0.00 C ATOM 481 C ASP A 53 9.390 16.980 -5.200 1.00 0.00 C ATOM 482 O ASP A 53 9.060 16.130 -4.370 1.00 0.00 O ATOM 483 CB ASP A 53 10.660 17.390 -7.480 1.00 0.00 C ATOM 484 CG ASP A 53 11.480 16.450 -8.370 1.00 0.00 C ATOM 485 OD1 ASP A 53 12.470 15.910 -7.830 1.00 0.00 O ATOM 486 OD2 ASP A 53 11.060 16.240 -9.530 1.00 0.00 O ATOM 0 H ASP A 53 7.842 17.028 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 53 10.135 15.604 -6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.128 18.120 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.318 17.949 -6.815 1.00 0.00 H new ATOM 488 N LEU A 54 9.950 18.130 -4.830 1.00 0.00 N ATOM 489 CA LEU A 54 9.830 18.730 -3.480 1.00 0.00 C ATOM 490 C LEU A 54 9.280 20.150 -3.640 1.00 0.00 C ATOM 491 O LEU A 54 8.070 20.350 -3.560 1.00 0.00 O ATOM 492 CB LEU A 54 11.200 18.780 -2.770 1.00 0.00 C ATOM 493 CG LEU A 54 11.740 17.380 -2.520 1.00 0.00 C ATOM 494 CD1 LEU A 54 13.260 17.340 -2.350 1.00 0.00 C ATOM 495 CD2 LEU A 54 11.090 16.730 -1.290 1.00 0.00 C ATOM 0 H LEU A 54 10.515 18.692 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 54 9.162 18.121 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.908 19.343 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.103 19.310 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 54 11.482 16.816 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.580 16.313 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 54 13.737 17.719 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.548 17.959 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.502 15.731 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.292 17.337 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.013 16.659 -1.442 1.00 0.00 H new ATOM 497 N ARG A 55 10.170 20.930 -4.250 1.00 0.00 N ATOM 498 CA ARG A 55 9.960 22.230 -4.890 1.00 0.00 C ATOM 499 C ARG A 55 9.650 21.920 -6.360 1.00 0.00 C ATOM 500 O ARG A 55 10.460 21.280 -7.040 1.00 0.00 O ATOM 501 CB ARG A 55 11.200 23.120 -4.750 1.00 0.00 C ATOM 502 CG ARG A 55 11.330 23.860 -3.400 1.00 0.00 C ATOM 503 CD ARG A 55 11.580 23.020 -2.150 1.00 0.00 C ATOM 504 NE ARG A 55 10.360 22.330 -1.680 1.00 0.00 N ATOM 505 CZ ARG A 55 10.280 21.460 -0.670 1.00 0.00 C ATOM 506 NH1 ARG A 55 11.310 21.130 0.090 1.00 0.00 N ATOM 507 NH2 ARG A 55 9.130 20.840 -0.460 1.00 0.00 N ATOM 0 H ARG A 55 11.147 20.643 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 55 9.145 22.783 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.088 22.504 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.190 23.859 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.144 24.579 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.416 24.432 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.353 22.281 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.960 23.661 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 55 9.494 22.539 -2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.225 21.547 -0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.190 20.459 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.330 21.031 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.044 20.171 0.305 1.00 0.00 H new ATOM 514 N ARG A 56 8.330 21.780 -6.400 1.00 0.00 N ATOM 515 CA ARG A 56 7.440 21.200 -7.430 1.00 0.00 C ATOM 516 C ARG A 56 6.780 19.890 -6.970 1.00 0.00 C ATOM 517 O ARG A 56 6.870 18.830 -7.610 1.00 0.00 O ATOM 518 CB ARG A 56 8.030 21.080 -8.850 1.00 0.00 C ATOM 519 CG ARG A 56 7.850 22.330 -9.720 1.00 0.00 C ATOM 520 CD ARG A 56 6.370 22.610 -10.000 1.00 0.00 C ATOM 521 NE ARG A 56 6.210 23.440 -11.210 1.00 0.00 N ATOM 522 CZ ARG A 56 5.540 24.590 -11.320 1.00 0.00 C ATOM 523 NH1 ARG A 56 4.980 25.190 -10.280 1.00 0.00 N ATOM 524 NH2 ARG A 56 5.260 25.070 -12.520 1.00 0.00 N ATOM 0 H ARG A 56 7.775 22.111 -5.611 1.00 0.00 H new ATOM 0 HA ARG A 56 6.661 21.955 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.094 20.858 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.565 20.232 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.296 23.190 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.381 22.198 -10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.835 21.669 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.924 23.117 -9.145 1.00 0.00 H new ATOM 0 HE ARG A 56 6.662 23.097 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.052 24.774 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.477 26.068 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.555 24.562 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.749 25.948 -12.612 1.00 0.00 H new ATOM 531 N LEU A 57 6.390 19.910 -5.700 1.00 0.00 N ATOM 532 CA LEU A 57 5.200 19.230 -5.170 1.00 0.00 C ATOM 533 C LEU A 57 4.300 20.110 -4.300 1.00 0.00 C ATOM 534 O LEU A 57 3.110 20.170 -4.620 1.00 0.00 O ATOM 535 CB LEU A 57 5.540 17.940 -4.430 1.00 0.00 C ATOM 536 CG LEU A 57 5.450 16.780 -5.420 1.00 0.00 C ATOM 537 CD1 LEU A 57 6.020 15.510 -4.800 1.00 0.00 C ATOM 538 CD2 LEU A 57 4.010 16.520 -5.870 1.00 0.00 C ATOM 0 H LEU A 57 6.908 20.416 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 57 4.627 18.982 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.542 17.999 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.850 17.785 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 57 6.034 17.061 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.949 14.692 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.065 15.672 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.454 15.257 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.993 15.687 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.396 16.275 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.614 17.412 -6.355 1.00 0.00 H new ATOM 540 N GLU A 58 4.820 20.810 -3.290 1.00 0.00 N ATOM 541 CA GLU A 58 3.980 21.710 -2.470 1.00 0.00 C ATOM 542 C GLU A 58 3.290 22.860 -3.220 1.00 0.00 C ATOM 543 O GLU A 58 2.280 23.380 -2.770 1.00 0.00 O ATOM 544 CB GLU A 58 4.770 22.250 -1.280 1.00 0.00 C ATOM 545 CG GLU A 58 4.180 21.750 0.030 1.00 0.00 C ATOM 546 CD GLU A 58 2.860 22.420 0.460 1.00 0.00 C ATOM 547 OE1 GLU A 58 1.800 21.950 -0.020 1.00 0.00 O ATOM 548 OE2 GLU A 58 2.920 23.210 1.430 1.00 0.00 O ATOM 0 H GLU A 58 5.802 20.779 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 58 3.161 21.075 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.812 21.939 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.761 23.340 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.012 20.676 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.916 21.897 0.820 1.00 0.00 H new ATOM 550 N MET A 59 3.820 23.180 -4.400 1.00 0.00 N ATOM 551 CA MET A 59 3.110 23.910 -5.470 1.00 0.00 C ATOM 552 C MET A 59 1.680 23.420 -5.740 1.00 0.00 C ATOM 553 O MET A 59 0.730 24.210 -5.740 1.00 0.00 O ATOM 554 CB MET A 59 3.980 23.790 -6.720 1.00 0.00 C ATOM 555 CG MET A 59 5.000 24.920 -6.870 1.00 0.00 C ATOM 556 SD MET A 59 4.240 26.550 -7.160 1.00 0.00 S ATOM 557 CE MET A 59 5.700 27.530 -7.390 1.00 0.00 C ATOM 0 H MET A 59 4.778 22.937 -4.653 1.00 0.00 H new ATOM 0 HA MET A 59 2.972 24.945 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.508 22.837 -6.694 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.337 23.774 -7.600 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.612 24.968 -5.969 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.669 24.687 -7.698 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.417 28.565 -7.580 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.316 27.481 -6.492 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.265 27.147 -8.239 1.00 0.00 H new ATOM 559 N TYR A 60 1.540 22.100 -5.860 1.00 0.00 N ATOM 560 CA TYR A 60 0.290 21.420 -6.260 1.00 0.00 C ATOM 561 C TYR A 60 -0.120 20.190 -5.410 1.00 0.00 C ATOM 562 O TYR A 60 -0.840 19.300 -5.860 1.00 0.00 O ATOM 563 CB TYR A 60 0.350 21.130 -7.760 1.00 0.00 C ATOM 564 CG TYR A 60 1.540 20.290 -8.230 1.00 0.00 C ATOM 565 CD1 TYR A 60 2.790 20.910 -8.440 1.00 0.00 C ATOM 566 CD2 TYR A 60 1.360 18.900 -8.410 1.00 0.00 C ATOM 567 CE1 TYR A 60 3.900 20.110 -8.800 1.00 0.00 C ATOM 568 CE2 TYR A 60 2.460 18.110 -8.780 1.00 0.00 C ATOM 569 CZ TYR A 60 3.720 18.720 -8.950 1.00 0.00 C ATOM 570 OH TYR A 60 4.810 17.930 -9.050 1.00 0.00 O ATOM 0 H TYR A 60 2.306 21.451 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.527 22.109 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.568 20.618 -8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.367 22.080 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.898 21.979 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.389 18.451 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.870 20.557 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.343 17.047 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 60 5.559 18.343 -8.571 1.00 0.00 H new ATOM 573 N CYS A 61 0.400 20.140 -4.190 1.00 0.00 N ATOM 574 CA CYS A 61 -0.140 19.350 -3.060 1.00 0.00 C ATOM 575 C CYS A 61 -1.480 19.970 -2.600 1.00 0.00 C ATOM 576 O CYS A 61 -2.530 19.590 -3.110 1.00 0.00 O ATOM 577 CB CYS A 61 0.910 19.330 -1.950 1.00 0.00 C ATOM 578 SG CYS A 61 2.330 18.180 -2.100 1.00 0.00 S ATOM 0 H CYS A 61 1.239 20.662 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.347 18.320 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.311 20.339 -1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.398 19.102 -1.015 1.00 0.00 H new ATOM 580 N ALA A 62 -1.450 20.640 -1.450 1.00 0.00 N ATOM 581 CA ALA A 62 -2.260 21.830 -1.100 1.00 0.00 C ATOM 582 C ALA A 62 -1.470 22.600 -0.020 1.00 0.00 C ATOM 583 O ALA A 62 -1.180 22.020 1.030 1.00 0.00 O ATOM 584 CB ALA A 62 -3.630 21.420 -0.550 1.00 0.00 C ATOM 0 H ALA A 62 -0.830 20.361 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.436 22.444 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.204 22.313 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.166 20.842 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.496 20.813 0.346 1.00 0.00 H new ATOM 586 N PRO A 63 -0.970 23.800 -0.340 1.00 0.00 N ATOM 587 CA PRO A 63 -0.270 24.660 0.650 1.00 0.00 C ATOM 588 C PRO A 63 -1.230 25.170 1.730 1.00 0.00 C ATOM 589 O PRO A 63 -1.970 26.130 1.540 1.00 0.00 O ATOM 590 CB PRO A 63 0.350 25.770 -0.200 1.00 0.00 C ATOM 591 CG PRO A 63 -0.540 25.850 -1.430 1.00 0.00 C ATOM 592 CD PRO A 63 -0.930 24.390 -1.690 1.00 0.00 C ATOM 0 HA PRO A 63 0.493 24.130 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.370 26.718 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.380 25.535 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.416 26.473 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.011 26.281 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.896 24.315 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.202 23.887 -2.327 1.00 0.00 H new ATOM 593 N LEU A 64 -1.350 24.350 2.780 1.00 0.00 N ATOM 594 CA LEU A 64 -2.250 24.630 3.910 1.00 0.00 C ATOM 595 C LEU A 64 -1.490 25.020 5.190 1.00 0.00 C ATOM 596 O LEU A 64 -1.310 26.210 5.450 1.00 0.00 O ATOM 597 CB LEU A 64 -3.220 23.460 4.160 1.00 0.00 C ATOM 598 CG LEU A 64 -4.170 23.220 2.980 1.00 0.00 C ATOM 599 CD1 LEU A 64 -4.910 21.900 3.170 1.00 0.00 C ATOM 600 CD2 LEU A 64 -5.170 24.370 2.790 1.00 0.00 C ATOM 0 H LEU A 64 -0.830 23.477 2.873 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.844 25.499 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.647 22.552 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.805 23.663 5.057 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.563 23.173 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.583 21.736 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.190 21.084 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.487 21.936 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.819 24.151 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.774 24.480 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.628 25.297 2.602 1.00 0.00 H new ATOM 602 N LYS A 65 -0.920 24.040 5.890 1.00 0.00 N ATOM 603 CA LYS A 65 -0.280 24.260 7.210 1.00 0.00 C ATOM 604 C LYS A 65 0.890 25.270 7.190 1.00 0.00 C ATOM 605 O LYS A 65 1.090 26.010 8.160 1.00 0.00 O ATOM 606 CB LYS A 65 0.000 22.930 7.920 1.00 0.00 C ATOM 607 CG LYS A 65 -1.290 22.200 8.300 1.00 0.00 C ATOM 608 CD LYS A 65 -0.960 20.800 8.800 1.00 0.00 C ATOM 609 CE LYS A 65 -2.230 20.000 9.080 1.00 0.00 C ATOM 610 NZ LYS A 65 -1.880 18.570 9.110 1.00 0.00 N ATOM 0 H LYS A 65 -0.883 23.072 5.570 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.005 24.777 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.600 22.292 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.589 23.115 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.820 22.757 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.954 22.141 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.355 20.279 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.362 20.867 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.668 20.304 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.977 20.192 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.749 18.001 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.357 18.322 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.286 18.375 9.942 1.00 0.00 H new ATOM 614 N PRO A 66 1.700 25.200 6.140 1.00 0.00 N ATOM 615 CA PRO A 66 2.360 26.380 5.540 1.00 0.00 C ATOM 616 C PRO A 66 1.660 26.780 4.240 1.00 0.00 C ATOM 617 O PRO A 66 1.310 25.950 3.410 1.00 0.00 O ATOM 618 CB PRO A 66 3.780 25.870 5.280 1.00 0.00 C ATOM 619 CG PRO A 66 3.590 24.390 4.920 1.00 0.00 C ATOM 620 CD PRO A 66 2.400 23.970 5.790 1.00 0.00 C ATOM 0 HA PRO A 66 2.336 27.270 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.258 26.419 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.413 25.988 6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.380 24.257 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.481 23.803 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.743 23.288 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.737 23.446 6.684 1.00 0.00 H new ATOM 621 N ALA A 67 1.540 28.090 4.050 1.00 0.00 N ATOM 622 CA ALA A 67 1.080 28.700 2.780 1.00 0.00 C ATOM 623 C ALA A 67 2.170 28.690 1.680 1.00 0.00 C ATOM 624 O ALA A 67 2.350 29.620 0.900 1.00 0.00 O ATOM 625 CB ALA A 67 0.560 30.110 3.080 1.00 0.00 C ATOM 0 H ALA A 67 1.758 28.776 4.773 1.00 0.00 H new ATOM 0 HA ALA A 67 0.270 28.097 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.217 30.575 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.269 30.050 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.362 30.709 3.512 1.00 0.00 H new ATOM 627 N LYS A 68 2.800 27.520 1.550 1.00 0.00 N ATOM 628 CA LYS A 68 4.080 27.350 0.840 1.00 0.00 C ATOM 629 C LYS A 68 3.880 26.520 -0.440 1.00 0.00 C ATOM 630 O LYS A 68 3.740 25.300 -0.420 1.00 0.00 O ATOM 631 CB LYS A 68 5.070 26.740 1.850 1.00 0.00 C ATOM 632 CG LYS A 68 6.500 26.530 1.370 1.00 0.00 C ATOM 633 CD LYS A 68 6.680 25.110 0.840 1.00 0.00 C ATOM 634 CE LYS A 68 8.140 24.750 0.590 1.00 0.00 C ATOM 635 NZ LYS A 68 8.140 23.370 0.090 1.00 0.00 N ATOM 0 H LYS A 68 2.435 26.650 1.938 1.00 0.00 H new ATOM 0 HA LYS A 68 4.491 28.296 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.098 27.384 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.675 25.777 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.737 27.250 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.196 26.710 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.254 24.405 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.120 25.001 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.589 25.427 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.724 24.832 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.850 22.813 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.200 22.949 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.371 23.368 -0.924 1.00 0.00 H new ATOM 639 N SER A 69 3.650 27.270 -1.510 1.00 0.00 N ATOM 640 CA SER A 69 3.670 26.720 -2.880 1.00 0.00 C ATOM 641 C SER A 69 5.090 26.590 -3.450 1.00 0.00 C ATOM 642 O SER A 69 5.640 27.540 -4.010 1.00 0.00 O ATOM 643 CB SER A 69 2.790 27.550 -3.820 1.00 0.00 C ATOM 644 OG SER A 69 1.420 27.370 -3.460 1.00 0.00 O ATOM 0 H SER A 69 3.445 28.268 -1.466 1.00 0.00 H new ATOM 0 HA SER A 69 3.261 25.712 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.060 28.604 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.950 27.243 -4.854 1.00 0.00 H new ATOM 0 HG SER A 69 0.852 27.900 -4.057 1.00 0.00 H new ATOM 647 N ALA A 70 5.710 25.470 -3.090 1.00 0.00 N ATOM 648 CA ALA A 70 6.980 25.000 -3.690 1.00 0.00 C ATOM 649 C ALA A 70 7.090 23.460 -3.580 1.00 0.00 C ATOM 650 O ALA A 70 6.600 22.780 -4.510 1.00 0.00 O ATOM 651 CB ALA A 70 8.170 25.720 -3.050 1.00 0.00 C ATOM 652 OXT ALA A 70 7.570 22.950 -2.540 1.00 0.00 O ATOM 0 H ALA A 70 5.350 24.848 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 70 6.991 25.246 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.096 25.364 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.076 26.794 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.186 25.516 -1.979 1.00 0.00 H new TER 654 ALA A 70