USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=16 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+ -176:sc= -4.3! (180deg=-5.86!) USER MOD Set 1.2: A 29 THR OG1 : rot 35:sc= -0.0761 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 2.48 (180deg=2.27) USER MOD Single : A 4 THR OG1 : rot -101:sc= 1.13 USER MOD Single : A 15 GLN : amide:sc= -0.772 K(o=-0.77,f=-4.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.285 K(o=0.29,f=-5.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 19:sc= 1.22 USER MOD Single : A 34 SER OG : rot -37:sc= 1.24 USER MOD Single : A 35 SER OG : rot 130:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.129 K(o=0.13,f=-3.3!) USER MOD Single : A 41 THR OG1 : rot -8:sc= 0.94 USER MOD Single : A 51 SER OG : rot 180:sc= -0.108 USER MOD Single : A 59 MET CE :methyl -167:sc= -0.123 (180deg=-0.287) USER MOD Single : A 60 TYR OH : rot -107:sc= 2.02 USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0.92 (180deg=0.917) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -6.82! (180deg=-10.3!) USER MOD Single : A 69 SER OG : rot 60:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.730 12.270 -6.340 1.00 0.00 N ATOM 2 CA GLY A 1 12.540 12.520 -7.550 1.00 0.00 C ATOM 3 C GLY A 1 11.670 12.470 -8.810 1.00 0.00 C ATOM 4 O GLY A 1 10.450 12.480 -8.710 1.00 0.00 O ATOM 0 H1 GLY A 1 12.351 12.242 -5.506 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.032 13.032 -6.226 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.236 11.360 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.022 13.495 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.334 11.776 -7.621 1.00 0.00 H new ATOM 8 N PRO A 2 12.340 12.380 -9.950 1.00 0.00 N ATOM 9 CA PRO A 2 11.840 11.640 -11.130 1.00 0.00 C ATOM 10 C PRO A 2 11.290 10.270 -10.740 1.00 0.00 C ATOM 11 O PRO A 2 11.930 9.560 -9.960 1.00 0.00 O ATOM 12 CB PRO A 2 13.110 11.530 -11.970 1.00 0.00 C ATOM 13 CG PRO A 2 13.750 12.900 -11.780 1.00 0.00 C ATOM 14 CD PRO A 2 13.570 13.130 -10.280 1.00 0.00 C ATOM 0 HA PRO A 2 11.009 12.122 -11.646 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.759 10.727 -11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.887 11.328 -13.018 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.801 12.903 -12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.253 13.668 -12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.426 12.762 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.466 14.190 -10.048 1.00 0.00 H new ATOM 15 N GLU A 3 9.960 10.200 -10.880 1.00 0.00 N ATOM 16 CA GLU A 3 9.100 9.030 -10.660 1.00 0.00 C ATOM 17 C GLU A 3 7.660 9.320 -11.140 1.00 0.00 C ATOM 18 O GLU A 3 6.970 10.200 -10.610 1.00 0.00 O ATOM 19 CB GLU A 3 9.100 8.610 -9.190 1.00 0.00 C ATOM 20 CG GLU A 3 8.820 9.720 -8.180 1.00 0.00 C ATOM 21 CD GLU A 3 9.310 9.380 -6.780 1.00 0.00 C ATOM 22 OE1 GLU A 3 8.570 8.700 -6.040 1.00 0.00 O ATOM 23 OE2 GLU A 3 10.400 9.910 -6.440 1.00 0.00 O ATOM 0 H GLU A 3 9.419 11.015 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 3 9.504 8.203 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.354 7.827 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.070 8.170 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.300 10.639 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.748 9.914 -8.148 1.00 0.00 H new ATOM 25 N THR A 4 7.370 8.790 -12.330 1.00 0.00 N ATOM 26 CA THR A 4 6.010 8.720 -12.900 1.00 0.00 C ATOM 27 C THR A 4 5.120 7.790 -12.050 1.00 0.00 C ATOM 28 O THR A 4 5.060 6.580 -12.260 1.00 0.00 O ATOM 29 CB THR A 4 6.140 8.230 -14.350 1.00 0.00 C ATOM 30 OG1 THR A 4 7.120 9.030 -15.020 1.00 0.00 O ATOM 31 CG2 THR A 4 4.810 8.260 -15.120 1.00 0.00 C ATOM 0 H THR A 4 8.082 8.389 -12.941 1.00 0.00 H new ATOM 0 HA THR A 4 5.530 9.699 -12.892 1.00 0.00 H new ATOM 0 HB THR A 4 6.449 7.185 -14.321 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.671 9.695 -15.582 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.970 7.902 -16.137 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.085 7.618 -14.619 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.430 9.281 -15.150 1.00 0.00 H new ATOM 34 N LEU A 5 4.480 8.390 -11.060 1.00 0.00 N ATOM 35 CA LEU A 5 3.600 7.670 -10.110 1.00 0.00 C ATOM 36 C LEU A 5 2.140 8.100 -10.250 1.00 0.00 C ATOM 37 O LEU A 5 1.760 9.250 -9.990 1.00 0.00 O ATOM 38 CB LEU A 5 4.040 7.880 -8.660 1.00 0.00 C ATOM 39 CG LEU A 5 5.400 7.250 -8.300 1.00 0.00 C ATOM 40 CD1 LEU A 5 5.690 7.580 -6.830 1.00 0.00 C ATOM 41 CD2 LEU A 5 5.430 5.740 -8.510 1.00 0.00 C ATOM 0 H LEU A 5 4.546 9.392 -10.879 1.00 0.00 H new ATOM 0 HA LEU A 5 3.686 6.613 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.087 8.951 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.278 7.466 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 5 6.160 7.664 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.648 7.147 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.726 8.662 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.902 7.166 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.413 5.355 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.671 5.270 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.227 5.514 -9.557 1.00 0.00 H new ATOM 43 N CYS A 6 1.320 7.110 -10.590 1.00 0.00 N ATOM 44 CA CYS A 6 -0.110 7.320 -10.920 1.00 0.00 C ATOM 45 C CYS A 6 -1.070 6.650 -9.920 1.00 0.00 C ATOM 46 O CYS A 6 -0.650 5.850 -9.080 1.00 0.00 O ATOM 47 CB CYS A 6 -0.350 6.810 -12.340 1.00 0.00 C ATOM 48 SG CYS A 6 0.590 7.740 -13.610 1.00 0.00 S ATOM 0 H CYS A 6 1.615 6.135 -10.648 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.325 8.386 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.074 5.757 -12.392 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.414 6.873 -12.567 1.00 0.00 H new ATOM 50 N GLY A 7 -2.310 7.140 -9.920 1.00 0.00 N ATOM 51 CA GLY A 7 -3.410 6.600 -9.090 1.00 0.00 C ATOM 52 C GLY A 7 -3.110 6.770 -7.600 1.00 0.00 C ATOM 53 O GLY A 7 -2.840 7.870 -7.140 1.00 0.00 O ATOM 0 H GLY A 7 -2.591 7.931 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.341 7.111 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.556 5.544 -9.317 1.00 0.00 H new ATOM 55 N ALA A 8 -3.180 5.660 -6.870 1.00 0.00 N ATOM 56 CA ALA A 8 -2.630 5.580 -5.490 1.00 0.00 C ATOM 57 C ALA A 8 -1.160 6.000 -5.330 1.00 0.00 C ATOM 58 O ALA A 8 -0.860 6.830 -4.470 1.00 0.00 O ATOM 59 CB ALA A 8 -2.830 4.170 -4.940 1.00 0.00 C ATOM 0 H ALA A 8 -3.610 4.795 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.193 6.317 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.427 4.113 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.894 3.935 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.312 3.454 -5.578 1.00 0.00 H new ATOM 61 N GLU A 9 -0.270 5.550 -6.220 1.00 0.00 N ATOM 62 CA GLU A 9 1.190 5.540 -6.010 1.00 0.00 C ATOM 63 C GLU A 9 1.870 6.880 -5.720 1.00 0.00 C ATOM 64 O GLU A 9 2.720 6.980 -4.840 1.00 0.00 O ATOM 65 CB GLU A 9 1.790 4.870 -7.250 1.00 0.00 C ATOM 66 CG GLU A 9 1.410 3.400 -7.450 1.00 0.00 C ATOM 67 CD GLU A 9 0.210 3.220 -8.370 1.00 0.00 C ATOM 68 OE1 GLU A 9 0.440 3.160 -9.600 1.00 0.00 O ATOM 69 OE2 GLU A 9 -0.930 3.180 -7.840 1.00 0.00 O ATOM 0 H GLU A 9 -0.545 5.174 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 9 1.377 4.999 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.480 5.431 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.876 4.942 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.263 2.862 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.190 2.951 -6.481 1.00 0.00 H new ATOM 71 N LEU A 10 1.240 7.900 -6.280 1.00 0.00 N ATOM 72 CA LEU A 10 1.650 9.310 -6.090 1.00 0.00 C ATOM 73 C LEU A 10 1.600 9.800 -4.630 1.00 0.00 C ATOM 74 O LEU A 10 2.600 10.360 -4.180 1.00 0.00 O ATOM 75 CB LEU A 10 0.960 10.270 -7.070 1.00 0.00 C ATOM 76 CG LEU A 10 -0.550 10.100 -7.260 1.00 0.00 C ATOM 77 CD1 LEU A 10 -1.350 10.790 -6.150 1.00 0.00 C ATOM 78 CD2 LEU A 10 -0.960 10.700 -8.600 1.00 0.00 C ATOM 0 H LEU A 10 0.425 7.789 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 10 2.710 9.323 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.147 11.290 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.438 10.163 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.768 9.033 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.416 10.644 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.078 10.361 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.126 11.857 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.035 10.581 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.708 11.760 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.431 10.189 -9.405 1.00 0.00 H new ATOM 80 N VAL A 11 0.630 9.290 -3.870 1.00 0.00 N ATOM 81 CA VAL A 11 0.420 9.670 -2.450 1.00 0.00 C ATOM 82 C VAL A 11 1.670 9.350 -1.600 1.00 0.00 C ATOM 83 O VAL A 11 2.180 10.250 -0.950 1.00 0.00 O ATOM 84 CB VAL A 11 -0.850 9.010 -1.860 1.00 0.00 C ATOM 85 CG1 VAL A 11 -1.120 9.470 -0.420 1.00 0.00 C ATOM 86 CG2 VAL A 11 -2.090 9.340 -2.690 1.00 0.00 C ATOM 0 H VAL A 11 -0.039 8.600 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 11 0.262 10.748 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.660 7.937 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.020 8.983 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.273 9.203 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.259 10.551 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.963 8.860 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.239 10.420 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.954 8.976 -3.708 1.00 0.00 H new ATOM 88 N ASP A 12 2.290 8.200 -1.870 1.00 0.00 N ATOM 89 CA ASP A 12 3.500 7.730 -1.160 1.00 0.00 C ATOM 90 C ASP A 12 4.660 8.740 -1.190 1.00 0.00 C ATOM 91 O ASP A 12 5.240 9.030 -0.150 1.00 0.00 O ATOM 92 CB ASP A 12 3.910 6.370 -1.760 1.00 0.00 C ATOM 93 CG ASP A 12 5.110 5.740 -1.040 1.00 0.00 C ATOM 94 OD1 ASP A 12 4.850 4.980 -0.080 1.00 0.00 O ATOM 95 OD2 ASP A 12 6.240 5.980 -1.510 1.00 0.00 O ATOM 0 H ASP A 12 1.970 7.556 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 12 3.259 7.620 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.063 5.686 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.153 6.502 -2.814 1.00 0.00 H new ATOM 97 N ALA A 13 4.900 9.340 -2.360 1.00 0.00 N ATOM 98 CA ALA A 13 5.950 10.360 -2.530 1.00 0.00 C ATOM 99 C ALA A 13 5.500 11.780 -2.140 1.00 0.00 C ATOM 100 O ALA A 13 6.260 12.520 -1.520 1.00 0.00 O ATOM 101 CB ALA A 13 6.450 10.310 -3.980 1.00 0.00 C ATOM 0 H ALA A 13 4.378 9.137 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 13 6.761 10.124 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.228 11.060 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.856 9.321 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.621 10.514 -4.658 1.00 0.00 H new ATOM 103 N LEU A 14 4.270 12.140 -2.520 1.00 0.00 N ATOM 104 CA LEU A 14 3.590 13.330 -1.950 1.00 0.00 C ATOM 105 C LEU A 14 3.670 13.460 -0.410 1.00 0.00 C ATOM 106 O LEU A 14 3.950 14.560 0.090 1.00 0.00 O ATOM 107 CB LEU A 14 2.110 13.380 -2.360 1.00 0.00 C ATOM 108 CG LEU A 14 1.830 13.480 -3.860 1.00 0.00 C ATOM 109 CD1 LEU A 14 0.310 13.490 -4.060 1.00 0.00 C ATOM 110 CD2 LEU A 14 2.430 14.730 -4.500 1.00 0.00 C ATOM 0 H LEU A 14 3.720 11.635 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 14 4.145 14.168 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.618 12.486 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.646 14.234 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 14 2.298 12.624 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.083 13.561 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.116 12.570 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.120 14.346 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.196 14.742 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.011 15.618 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.512 14.724 -4.366 1.00 0.00 H new ATOM 112 N GLN A 15 3.520 12.350 0.320 1.00 0.00 N ATOM 113 CA GLN A 15 3.580 12.240 1.780 1.00 0.00 C ATOM 114 C GLN A 15 4.820 12.830 2.450 1.00 0.00 C ATOM 115 O GLN A 15 4.690 13.580 3.410 1.00 0.00 O ATOM 116 CB GLN A 15 3.430 10.760 2.090 1.00 0.00 C ATOM 117 CG GLN A 15 1.970 10.340 2.260 1.00 0.00 C ATOM 118 CD GLN A 15 1.810 8.820 2.330 1.00 0.00 C ATOM 119 OE1 GLN A 15 1.390 8.150 1.400 1.00 0.00 O ATOM 120 NE2 GLN A 15 2.090 8.250 3.480 1.00 0.00 N ATOM 0 H GLN A 15 3.342 11.448 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 15 2.781 12.850 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.881 10.177 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.980 10.526 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.568 10.788 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.383 10.727 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.441 8.812 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.957 7.246 3.597 1.00 0.00 H new ATOM 124 N PHE A 16 5.990 12.610 1.830 1.00 0.00 N ATOM 125 CA PHE A 16 7.260 13.160 2.350 1.00 0.00 C ATOM 126 C PHE A 16 7.360 14.700 2.290 1.00 0.00 C ATOM 127 O PHE A 16 8.300 15.280 2.820 1.00 0.00 O ATOM 128 CB PHE A 16 8.490 12.440 1.770 1.00 0.00 C ATOM 129 CG PHE A 16 8.780 12.540 0.270 1.00 0.00 C ATOM 130 CD1 PHE A 16 9.150 13.780 -0.310 1.00 0.00 C ATOM 131 CD2 PHE A 16 8.980 11.330 -0.440 1.00 0.00 C ATOM 132 CE1 PHE A 16 9.740 13.800 -1.590 1.00 0.00 C ATOM 133 CE2 PHE A 16 9.570 11.350 -1.720 1.00 0.00 C ATOM 134 CZ PHE A 16 9.940 12.590 -2.290 1.00 0.00 C ATOM 0 H PHE A 16 6.087 12.061 0.976 1.00 0.00 H new ATOM 0 HA PHE A 16 7.253 12.941 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.367 12.813 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.396 11.382 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.981 14.703 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.680 10.391 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.038 14.738 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.737 10.429 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.382 12.612 -3.275 1.00 0.00 H new ATOM 136 N VAL A 17 6.420 15.340 1.580 1.00 0.00 N ATOM 137 CA VAL A 17 6.170 16.790 1.670 1.00 0.00 C ATOM 138 C VAL A 17 4.850 17.120 2.390 1.00 0.00 C ATOM 139 O VAL A 17 4.840 17.440 3.580 1.00 0.00 O ATOM 140 CB VAL A 17 6.340 17.420 0.270 1.00 0.00 C ATOM 141 CG1 VAL A 17 5.810 18.860 0.140 1.00 0.00 C ATOM 142 CG2 VAL A 17 7.820 17.450 -0.100 1.00 0.00 C ATOM 0 H VAL A 17 5.805 14.863 0.920 1.00 0.00 H new ATOM 0 HA VAL A 17 6.915 17.256 2.315 1.00 0.00 H new ATOM 0 HB VAL A 17 5.748 16.792 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.973 19.217 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.743 18.877 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.338 19.507 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.939 17.895 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.366 18.043 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.213 16.433 -0.110 1.00 0.00 H new ATOM 144 N CYS A 18 3.730 16.930 1.700 1.00 0.00 N ATOM 145 CA CYS A 18 2.460 17.610 2.050 1.00 0.00 C ATOM 146 C CYS A 18 1.520 16.950 3.060 1.00 0.00 C ATOM 147 O CYS A 18 0.400 17.410 3.270 1.00 0.00 O ATOM 148 CB CYS A 18 1.720 18.050 0.810 1.00 0.00 C ATOM 149 SG CYS A 18 1.310 16.790 -0.450 1.00 0.00 S ATOM 0 H CYS A 18 3.663 16.312 0.891 1.00 0.00 H new ATOM 0 HA CYS A 18 2.816 18.469 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.788 18.517 1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.315 18.823 0.325 1.00 0.00 H new ATOM 151 N GLY A 19 2.250 16.320 3.970 1.00 0.00 N ATOM 152 CA GLY A 19 1.760 15.510 5.100 1.00 0.00 C ATOM 153 C GLY A 19 0.730 16.280 5.950 1.00 0.00 C ATOM 154 O GLY A 19 -0.460 16.000 5.910 1.00 0.00 O ATOM 0 H GLY A 19 3.269 16.358 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.307 14.594 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.601 15.214 5.727 1.00 0.00 H new ATOM 156 N ASP A 20 1.250 17.270 6.670 1.00 0.00 N ATOM 157 CA ASP A 20 0.440 18.270 7.390 1.00 0.00 C ATOM 158 C ASP A 20 -0.250 19.310 6.470 1.00 0.00 C ATOM 159 O ASP A 20 -1.410 19.640 6.690 1.00 0.00 O ATOM 160 CB ASP A 20 1.280 18.980 8.470 1.00 0.00 C ATOM 161 CG ASP A 20 2.480 19.770 7.910 1.00 0.00 C ATOM 162 OD1 ASP A 20 3.370 19.100 7.330 1.00 0.00 O ATOM 163 OD2 ASP A 20 2.450 21.010 8.030 1.00 0.00 O ATOM 0 H ASP A 20 2.255 17.409 6.776 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.365 17.708 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.637 19.662 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.646 18.237 9.179 1.00 0.00 H new ATOM 165 N ARG A 21 0.470 19.720 5.420 1.00 0.00 N ATOM 166 CA ARG A 21 0.240 20.940 4.640 1.00 0.00 C ATOM 167 C ARG A 21 -1.130 20.960 3.920 1.00 0.00 C ATOM 168 O ARG A 21 -1.720 22.030 3.740 1.00 0.00 O ATOM 169 CB ARG A 21 1.380 21.010 3.620 1.00 0.00 C ATOM 170 CG ARG A 21 2.780 20.980 4.240 1.00 0.00 C ATOM 171 CD ARG A 21 3.840 20.970 3.140 1.00 0.00 C ATOM 172 NE ARG A 21 5.110 20.400 3.620 1.00 0.00 N ATOM 173 CZ ARG A 21 6.300 21.000 3.650 1.00 0.00 C ATOM 174 NH1 ARG A 21 6.460 22.250 3.240 1.00 0.00 N ATOM 175 NH2 ARG A 21 7.370 20.340 4.060 1.00 0.00 N ATOM 0 H ARG A 21 1.267 19.184 5.075 1.00 0.00 H new ATOM 0 HA ARG A 21 0.222 21.802 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.284 20.174 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.273 21.923 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.920 21.849 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.889 20.097 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.478 20.391 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.007 21.987 2.785 1.00 0.00 H new ATOM 0 HE ARG A 21 5.075 19.442 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.661 22.778 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.382 22.684 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.287 19.367 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.278 20.804 4.081 1.00 0.00 H new ATOM 182 N GLY A 22 -1.520 19.800 3.410 1.00 0.00 N ATOM 183 CA GLY A 22 -2.920 19.500 3.040 1.00 0.00 C ATOM 184 C GLY A 22 -3.050 19.160 1.560 1.00 0.00 C ATOM 185 O GLY A 22 -3.210 20.040 0.720 1.00 0.00 O ATOM 0 H GLY A 22 -0.878 19.027 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.284 18.665 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.550 20.358 3.273 1.00 0.00 H new ATOM 187 N PHE A 23 -3.000 17.860 1.300 1.00 0.00 N ATOM 188 CA PHE A 23 -3.120 17.270 -0.060 1.00 0.00 C ATOM 189 C PHE A 23 -4.480 17.620 -0.690 1.00 0.00 C ATOM 190 O PHE A 23 -5.510 17.640 -0.020 1.00 0.00 O ATOM 191 CB PHE A 23 -3.080 15.740 -0.030 1.00 0.00 C ATOM 192 CG PHE A 23 -1.850 15.090 0.600 1.00 0.00 C ATOM 193 CD1 PHE A 23 -1.650 15.140 2.000 1.00 0.00 C ATOM 194 CD2 PHE A 23 -1.040 14.280 -0.230 1.00 0.00 C ATOM 195 CE1 PHE A 23 -0.620 14.370 2.580 1.00 0.00 C ATOM 196 CE2 PHE A 23 0.000 13.520 0.360 1.00 0.00 C ATOM 197 CZ PHE A 23 0.200 13.580 1.750 1.00 0.00 C ATOM 0 H PHE A 23 -2.873 17.159 2.030 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.281 17.675 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.961 15.389 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.166 15.379 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.280 15.762 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.212 14.242 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.462 14.386 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.635 12.899 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.001 13.007 2.192 1.00 0.00 H new ATOM 199 N TYR A 24 -4.450 17.640 -2.020 1.00 0.00 N ATOM 200 CA TYR A 24 -5.570 17.990 -2.910 1.00 0.00 C ATOM 201 C TYR A 24 -5.090 17.800 -4.360 1.00 0.00 C ATOM 202 O TYR A 24 -3.890 17.920 -4.620 1.00 0.00 O ATOM 203 CB TYR A 24 -5.950 19.470 -2.670 1.00 0.00 C ATOM 204 CG TYR A 24 -7.200 19.960 -3.400 1.00 0.00 C ATOM 205 CD1 TYR A 24 -8.480 19.630 -2.880 1.00 0.00 C ATOM 206 CD2 TYR A 24 -7.050 20.880 -4.460 1.00 0.00 C ATOM 207 CE1 TYR A 24 -9.620 20.230 -3.440 1.00 0.00 C ATOM 208 CE2 TYR A 24 -8.190 21.480 -5.020 1.00 0.00 C ATOM 209 CZ TYR A 24 -9.470 21.140 -4.510 1.00 0.00 C ATOM 210 OH TYR A 24 -10.580 21.590 -5.150 1.00 0.00 O ATOM 0 H TYR A 24 -3.605 17.402 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.440 17.363 -2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.094 19.620 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.109 20.095 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.575 18.927 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.067 21.121 -4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.602 19.998 -3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.094 22.190 -5.828 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.318 22.210 -5.862 1.00 0.00 H new ATOM 213 N PHE A 25 -5.990 17.410 -5.250 1.00 0.00 N ATOM 214 CA PHE A 25 -5.730 17.480 -6.710 1.00 0.00 C ATOM 215 C PHE A 25 -5.640 18.950 -7.150 1.00 0.00 C ATOM 216 O PHE A 25 -6.640 19.630 -7.360 1.00 0.00 O ATOM 217 CB PHE A 25 -6.790 16.720 -7.520 1.00 0.00 C ATOM 218 CG PHE A 25 -6.790 15.210 -7.270 1.00 0.00 C ATOM 219 CD1 PHE A 25 -7.550 14.670 -6.210 1.00 0.00 C ATOM 220 CD2 PHE A 25 -6.050 14.370 -8.130 1.00 0.00 C ATOM 221 CE1 PHE A 25 -7.570 13.280 -6.000 1.00 0.00 C ATOM 222 CE2 PHE A 25 -6.060 12.970 -7.930 1.00 0.00 C ATOM 223 CZ PHE A 25 -6.830 12.440 -6.860 1.00 0.00 C ATOM 0 H PHE A 25 -6.909 17.041 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.777 16.991 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.775 17.119 -7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.624 16.904 -8.582 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.115 15.323 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.477 14.796 -8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -8.146 12.859 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.494 12.317 -8.578 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.850 11.372 -6.701 1.00 0.00 H new ATOM 225 N ASN A 26 -4.430 19.470 -6.930 1.00 0.00 N ATOM 226 CA ASN A 26 -4.120 20.880 -7.160 1.00 0.00 C ATOM 227 C ASN A 26 -3.440 21.060 -8.520 1.00 0.00 C ATOM 228 O ASN A 26 -2.360 20.530 -8.790 1.00 0.00 O ATOM 229 CB ASN A 26 -3.270 21.430 -6.010 1.00 0.00 C ATOM 230 CG ASN A 26 -3.480 22.940 -5.810 1.00 0.00 C ATOM 231 OD1 ASN A 26 -3.810 23.700 -6.710 1.00 0.00 O ATOM 232 ND2 ASN A 26 -3.370 23.380 -4.570 1.00 0.00 N ATOM 0 H ASN A 26 -3.639 18.924 -6.588 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.046 21.454 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.522 20.904 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.217 21.234 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.561 24.359 -4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.094 22.741 -3.825 1.00 0.00 H new ATOM 236 N LYS A 27 -3.910 22.130 -9.150 1.00 0.00 N ATOM 237 CA LYS A 27 -4.520 22.220 -10.500 1.00 0.00 C ATOM 238 C LYS A 27 -6.030 22.500 -10.310 1.00 0.00 C ATOM 239 O LYS A 27 -6.890 21.840 -10.900 1.00 0.00 O ATOM 240 CB LYS A 27 -4.240 21.030 -11.460 1.00 0.00 C ATOM 241 CG LYS A 27 -4.800 19.670 -11.040 1.00 0.00 C ATOM 242 CD LYS A 27 -4.560 18.590 -12.090 1.00 0.00 C ATOM 243 CE LYS A 27 -5.340 17.310 -11.750 1.00 0.00 C ATOM 244 NZ LYS A 27 -6.790 17.530 -11.880 1.00 0.00 N ATOM 0 H LYS A 27 -3.878 23.046 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.031 23.040 -11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.647 21.279 -12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.161 20.933 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.340 19.366 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.870 19.762 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.865 18.956 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.495 18.366 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.029 16.503 -12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.105 16.995 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.299 16.674 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.075 18.330 -11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.022 17.742 -12.872 1.00 0.00 H new ATOM 248 N PRO A 28 -6.330 23.490 -9.460 1.00 0.00 N ATOM 249 CA PRO A 28 -7.370 23.410 -8.410 1.00 0.00 C ATOM 250 C PRO A 28 -8.670 22.690 -8.820 1.00 0.00 C ATOM 251 O PRO A 28 -9.550 23.250 -9.470 1.00 0.00 O ATOM 252 CB PRO A 28 -7.590 24.850 -7.940 1.00 0.00 C ATOM 253 CG PRO A 28 -7.060 25.700 -9.100 1.00 0.00 C ATOM 254 CD PRO A 28 -5.890 24.880 -9.640 1.00 0.00 C ATOM 0 HA PRO A 28 -7.025 22.769 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.644 25.051 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.051 25.055 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.823 25.860 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.737 26.684 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.692 25.105 -10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.971 25.084 -9.091 1.00 0.00 H new ATOM 255 N THR A 29 -8.680 21.410 -8.480 1.00 0.00 N ATOM 256 CA THR A 29 -9.740 20.480 -8.940 1.00 0.00 C ATOM 257 C THR A 29 -10.440 19.590 -7.920 1.00 0.00 C ATOM 258 O THR A 29 -11.660 19.390 -7.980 1.00 0.00 O ATOM 259 CB THR A 29 -9.250 19.620 -10.110 1.00 0.00 C ATOM 260 OG1 THR A 29 -7.840 19.420 -10.040 1.00 0.00 O ATOM 261 CG2 THR A 29 -9.620 20.290 -11.430 1.00 0.00 C ATOM 0 H THR A 29 -7.972 20.976 -7.887 1.00 0.00 H new ATOM 0 HA THR A 29 -10.520 21.183 -9.233 1.00 0.00 H new ATOM 0 HB THR A 29 -9.734 18.645 -10.050 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.565 19.353 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.270 19.676 -12.260 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.703 20.400 -11.491 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.152 21.273 -11.483 1.00 0.00 H new ATOM 264 N GLY A 30 -9.600 18.890 -7.180 1.00 0.00 N ATOM 265 CA GLY A 30 -9.990 17.880 -6.180 1.00 0.00 C ATOM 266 C GLY A 30 -10.720 16.710 -6.850 1.00 0.00 C ATOM 267 O GLY A 30 -10.180 16.000 -7.700 1.00 0.00 O ATOM 0 H GLY A 30 -8.589 19.004 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.104 17.514 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.635 18.335 -5.428 1.00 0.00 H new ATOM 269 N TYR A 31 -12.010 16.750 -6.580 1.00 0.00 N ATOM 270 CA TYR A 31 -13.040 15.870 -7.180 1.00 0.00 C ATOM 271 C TYR A 31 -12.990 15.840 -8.720 1.00 0.00 C ATOM 272 O TYR A 31 -13.040 14.760 -9.310 1.00 0.00 O ATOM 273 CB TYR A 31 -14.420 16.330 -6.680 1.00 0.00 C ATOM 274 CG TYR A 31 -15.580 15.440 -7.160 1.00 0.00 C ATOM 275 CD1 TYR A 31 -15.790 14.190 -6.530 1.00 0.00 C ATOM 276 CD2 TYR A 31 -16.390 15.890 -8.220 1.00 0.00 C ATOM 277 CE1 TYR A 31 -16.850 13.370 -6.990 1.00 0.00 C ATOM 278 CE2 TYR A 31 -17.450 15.070 -8.670 1.00 0.00 C ATOM 279 CZ TYR A 31 -17.660 13.830 -8.050 1.00 0.00 C ATOM 280 OH TYR A 31 -18.690 13.050 -8.470 1.00 0.00 O ATOM 0 H TYR A 31 -12.402 17.415 -5.914 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.841 14.846 -6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.414 16.348 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.596 17.352 -7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.156 13.868 -5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -16.204 16.848 -8.683 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -17.035 12.408 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.088 15.394 -9.479 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.160 13.496 -9.205 1.00 0.00 H new ATOM 283 N GLY A 32 -12.760 17.000 -9.340 1.00 0.00 N ATOM 284 CA GLY A 32 -12.630 17.150 -10.810 1.00 0.00 C ATOM 285 C GLY A 32 -11.250 16.720 -11.350 1.00 0.00 C ATOM 286 O GLY A 32 -10.690 17.370 -12.220 1.00 0.00 O ATOM 0 H GLY A 32 -12.656 17.881 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.404 16.557 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.809 18.191 -11.079 1.00 0.00 H new ATOM 288 N SER A 33 -10.780 15.570 -10.870 1.00 0.00 N ATOM 289 CA SER A 33 -9.420 15.050 -11.140 1.00 0.00 C ATOM 290 C SER A 33 -9.140 14.890 -12.640 1.00 0.00 C ATOM 291 O SER A 33 -10.030 14.580 -13.420 1.00 0.00 O ATOM 292 CB SER A 33 -9.240 13.700 -10.450 1.00 0.00 C ATOM 293 OG SER A 33 -9.190 13.850 -9.030 1.00 0.00 O ATOM 0 H SER A 33 -11.334 14.956 -10.272 1.00 0.00 H new ATOM 0 HA SER A 33 -8.712 15.780 -10.747 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.063 13.038 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.322 13.228 -10.801 1.00 0.00 H new ATOM 0 HG SER A 33 -9.576 14.715 -8.779 1.00 0.00 H new ATOM 296 N SER A 34 -7.950 15.360 -13.030 1.00 0.00 N ATOM 297 CA SER A 34 -7.440 15.360 -14.420 1.00 0.00 C ATOM 298 C SER A 34 -8.120 16.370 -15.360 1.00 0.00 C ATOM 299 O SER A 34 -7.860 16.390 -16.570 1.00 0.00 O ATOM 300 CB SER A 34 -7.380 13.950 -15.040 1.00 0.00 C ATOM 301 OG SER A 34 -6.650 14.000 -16.270 1.00 0.00 O ATOM 0 H SER A 34 -7.287 15.766 -12.370 1.00 0.00 H new ATOM 0 HA SER A 34 -6.414 15.714 -14.318 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.901 13.257 -14.348 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.388 13.576 -15.218 1.00 0.00 H new ATOM 0 HG SER A 34 -6.852 14.838 -16.737 1.00 0.00 H new ATOM 304 N SER A 35 -8.910 17.280 -14.790 1.00 0.00 N ATOM 305 CA SER A 35 -9.030 18.660 -15.320 1.00 0.00 C ATOM 306 C SER A 35 -7.740 19.420 -14.990 1.00 0.00 C ATOM 307 O SER A 35 -7.400 19.670 -13.830 1.00 0.00 O ATOM 308 CB SER A 35 -10.250 19.390 -14.750 1.00 0.00 C ATOM 309 OG SER A 35 -10.210 20.780 -15.100 1.00 0.00 O ATOM 0 H SER A 35 -9.479 17.098 -13.963 1.00 0.00 H new ATOM 0 HA SER A 35 -9.174 18.612 -16.399 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.164 18.938 -15.134 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.272 19.282 -13.666 1.00 0.00 H new ATOM 0 HG SER A 35 -11.071 21.045 -15.485 1.00 0.00 H new ATOM 312 N ARG A 36 -6.920 19.540 -16.030 1.00 0.00 N ATOM 313 CA ARG A 36 -5.510 19.960 -15.940 1.00 0.00 C ATOM 314 C ARG A 36 -5.320 21.490 -15.870 1.00 0.00 C ATOM 315 O ARG A 36 -4.400 22.070 -16.440 1.00 0.00 O ATOM 316 CB ARG A 36 -4.720 19.370 -17.120 1.00 0.00 C ATOM 317 CG ARG A 36 -4.780 17.840 -17.230 1.00 0.00 C ATOM 318 CD ARG A 36 -4.180 17.120 -16.020 1.00 0.00 C ATOM 319 NE ARG A 36 -4.130 15.670 -16.300 1.00 0.00 N ATOM 320 CZ ARG A 36 -3.130 15.010 -16.890 1.00 0.00 C ATOM 321 NH1 ARG A 36 -2.020 15.600 -17.300 1.00 0.00 N ATOM 322 NH2 ARG A 36 -3.320 13.740 -17.210 1.00 0.00 N ATOM 0 H ARG A 36 -7.217 19.345 -16.986 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.125 19.571 -14.997 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.099 19.803 -18.046 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.677 19.674 -17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.819 17.532 -17.348 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.250 17.527 -18.130 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.179 17.499 -15.815 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.782 17.311 -15.131 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.939 15.119 -16.014 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.899 16.604 -17.171 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.285 15.051 -17.745 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.212 13.290 -17.005 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.574 13.211 -17.662 1.00 0.00 H new ATOM 329 N ARG A 37 -6.160 22.140 -15.060 1.00 0.00 N ATOM 330 CA ARG A 37 -6.150 23.600 -14.880 1.00 0.00 C ATOM 331 C ARG A 37 -5.070 24.070 -13.880 1.00 0.00 C ATOM 332 O ARG A 37 -5.340 24.460 -12.740 1.00 0.00 O ATOM 333 CB ARG A 37 -7.550 24.160 -14.600 1.00 0.00 C ATOM 334 CG ARG A 37 -8.330 23.460 -13.480 1.00 0.00 C ATOM 335 CD ARG A 37 -9.700 24.120 -13.330 1.00 0.00 C ATOM 336 NE ARG A 37 -10.550 23.360 -12.410 1.00 0.00 N ATOM 337 CZ ARG A 37 -11.690 22.730 -12.710 1.00 0.00 C ATOM 338 NH1 ARG A 37 -12.200 22.740 -13.940 1.00 0.00 N ATOM 339 NH2 ARG A 37 -12.390 22.150 -11.750 1.00 0.00 N ATOM 0 H ARG A 37 -6.873 21.667 -14.505 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.852 24.036 -15.834 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.456 25.216 -14.348 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.136 24.102 -15.518 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.447 22.401 -13.710 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.778 23.524 -12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.579 25.139 -12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.183 24.189 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.240 23.306 -11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.718 23.239 -14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.072 22.248 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.059 22.185 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.261 21.668 -11.974 1.00 0.00 H new ATOM 346 N ALA A 38 -3.840 24.000 -14.370 1.00 0.00 N ATOM 347 CA ALA A 38 -2.620 24.170 -13.560 1.00 0.00 C ATOM 348 C ALA A 38 -1.920 25.520 -13.780 1.00 0.00 C ATOM 349 O ALA A 38 -1.500 25.840 -14.900 1.00 0.00 O ATOM 350 CB ALA A 38 -1.660 23.030 -13.890 1.00 0.00 C ATOM 0 H ALA A 38 -3.648 23.821 -15.356 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.916 24.151 -12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.750 23.138 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.133 22.076 -13.656 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.410 23.060 -14.951 1.00 0.00 H new ATOM 352 N PRO A 39 -1.910 26.360 -12.740 1.00 0.00 N ATOM 353 CA PRO A 39 -0.840 27.360 -12.550 1.00 0.00 C ATOM 354 C PRO A 39 0.410 26.680 -11.950 1.00 0.00 C ATOM 355 O PRO A 39 1.400 26.480 -12.640 1.00 0.00 O ATOM 356 CB PRO A 39 -1.430 28.400 -11.590 1.00 0.00 C ATOM 357 CG PRO A 39 -2.940 28.210 -11.720 1.00 0.00 C ATOM 358 CD PRO A 39 -3.100 26.710 -11.940 1.00 0.00 C ATOM 0 HA PRO A 39 -0.524 27.823 -13.485 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.094 28.234 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.130 29.411 -11.864 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.464 28.541 -10.823 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.345 28.782 -12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.126 26.165 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.024 26.476 -12.469 1.00 0.00 H new ATOM 359 N GLN A 40 0.220 26.090 -10.780 1.00 0.00 N ATOM 360 CA GLN A 40 1.250 25.500 -9.910 1.00 0.00 C ATOM 361 C GLN A 40 1.620 24.040 -10.270 1.00 0.00 C ATOM 362 O GLN A 40 1.780 23.170 -9.400 1.00 0.00 O ATOM 363 CB GLN A 40 0.750 25.660 -8.470 1.00 0.00 C ATOM 364 CG GLN A 40 -0.750 25.450 -8.180 1.00 0.00 C ATOM 365 CD GLN A 40 -1.290 24.150 -8.780 1.00 0.00 C ATOM 366 OE1 GLN A 40 -1.830 24.130 -9.880 1.00 0.00 O ATOM 367 NE2 GLN A 40 -1.010 23.040 -8.140 1.00 0.00 N ATOM 0 H GLN A 40 -0.714 26.000 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 40 2.195 26.025 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.308 24.962 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.014 26.664 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.910 25.442 -7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.315 26.292 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.560 23.078 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.242 22.138 -8.557 1.00 0.00 H new ATOM 371 N THR A 41 1.890 23.850 -11.560 1.00 0.00 N ATOM 372 CA THR A 41 2.320 22.610 -12.250 1.00 0.00 C ATOM 373 C THR A 41 1.360 21.470 -12.520 1.00 0.00 C ATOM 374 O THR A 41 1.380 20.860 -13.590 1.00 0.00 O ATOM 375 CB THR A 41 3.670 22.040 -11.770 1.00 0.00 C ATOM 376 OG1 THR A 41 3.640 21.650 -10.400 1.00 0.00 O ATOM 377 CG2 THR A 41 4.820 23.010 -12.040 1.00 0.00 C ATOM 0 H THR A 41 1.809 24.624 -12.219 1.00 0.00 H new ATOM 0 HA THR A 41 2.399 23.079 -13.231 1.00 0.00 H new ATOM 0 HB THR A 41 3.848 21.138 -12.355 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.798 21.945 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.755 22.573 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.890 23.202 -13.111 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.637 23.947 -11.514 1.00 0.00 H new ATOM 380 N GLY A 42 0.510 21.220 -11.540 1.00 0.00 N ATOM 381 CA GLY A 42 -0.650 20.330 -11.660 1.00 0.00 C ATOM 382 C GLY A 42 -0.310 18.870 -11.340 1.00 0.00 C ATOM 383 O GLY A 42 0.550 18.250 -11.970 1.00 0.00 O ATOM 0 H GLY A 42 0.602 21.636 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.436 20.672 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.048 20.393 -12.673 1.00 0.00 H new ATOM 385 N ILE A 43 -0.860 18.460 -10.210 1.00 0.00 N ATOM 386 CA ILE A 43 -0.810 17.080 -9.670 1.00 0.00 C ATOM 387 C ILE A 43 -0.440 15.980 -10.680 1.00 0.00 C ATOM 388 O ILE A 43 0.710 15.570 -10.720 1.00 0.00 O ATOM 389 CB ILE A 43 -2.010 16.820 -8.730 1.00 0.00 C ATOM 390 CG1 ILE A 43 -1.610 17.070 -7.270 1.00 0.00 C ATOM 391 CG2 ILE A 43 -2.760 15.490 -8.880 1.00 0.00 C ATOM 392 CD1 ILE A 43 -0.460 16.180 -6.760 1.00 0.00 C ATOM 0 H ILE A 43 -1.380 19.095 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 43 0.070 17.006 -9.032 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.752 17.546 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.320 18.115 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.482 16.913 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.575 15.448 -8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.166 15.413 -9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.073 14.663 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.244 16.425 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.751 15.132 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.430 16.353 -7.366 1.00 0.00 H new ATOM 394 N VAL A 44 -1.340 15.710 -11.630 1.00 0.00 N ATOM 395 CA VAL A 44 -1.180 14.600 -12.590 1.00 0.00 C ATOM 396 C VAL A 44 -0.060 14.810 -13.620 1.00 0.00 C ATOM 397 O VAL A 44 0.910 14.060 -13.650 1.00 0.00 O ATOM 398 CB VAL A 44 -2.520 14.240 -13.260 1.00 0.00 C ATOM 399 CG1 VAL A 44 -2.440 12.930 -14.040 1.00 0.00 C ATOM 400 CG2 VAL A 44 -3.640 14.080 -12.220 1.00 0.00 C ATOM 0 H VAL A 44 -2.197 16.248 -11.760 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.855 13.746 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.739 15.064 -13.939 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.408 12.718 -14.495 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.684 13.017 -14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.171 12.119 -13.363 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.572 13.826 -12.725 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.377 13.285 -11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.766 15.015 -11.674 1.00 0.00 H new ATOM 402 N ASP A 45 -0.040 16.070 -14.040 1.00 0.00 N ATOM 403 CA ASP A 45 0.880 16.660 -15.040 1.00 0.00 C ATOM 404 C ASP A 45 2.350 16.510 -14.620 1.00 0.00 C ATOM 405 O ASP A 45 3.240 16.460 -15.470 1.00 0.00 O ATOM 406 CB ASP A 45 0.600 18.160 -15.210 1.00 0.00 C ATOM 407 CG ASP A 45 -0.880 18.510 -15.430 1.00 0.00 C ATOM 408 OD1 ASP A 45 -1.600 18.580 -14.400 1.00 0.00 O ATOM 409 OD2 ASP A 45 -1.270 18.650 -16.610 1.00 0.00 O ATOM 0 H ASP A 45 -0.700 16.758 -13.678 1.00 0.00 H new ATOM 0 HA ASP A 45 0.709 16.124 -15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.957 18.686 -14.325 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.178 18.531 -16.056 1.00 0.00 H new ATOM 411 N GLU A 46 2.590 16.620 -13.310 1.00 0.00 N ATOM 412 CA GLU A 46 3.890 16.310 -12.710 1.00 0.00 C ATOM 413 C GLU A 46 4.030 14.880 -12.150 1.00 0.00 C ATOM 414 O GLU A 46 4.690 14.060 -12.780 1.00 0.00 O ATOM 415 CB GLU A 46 4.210 17.380 -11.660 1.00 0.00 C ATOM 416 CG GLU A 46 5.430 18.210 -12.070 1.00 0.00 C ATOM 417 CD GLU A 46 6.750 17.460 -11.880 1.00 0.00 C ATOM 418 OE1 GLU A 46 7.290 17.520 -10.760 1.00 0.00 O ATOM 419 OE2 GLU A 46 7.180 16.810 -12.860 1.00 0.00 O ATOM 0 H GLU A 46 1.888 16.926 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 46 4.628 16.332 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.348 18.035 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.397 16.904 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.330 18.501 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.452 19.129 -11.484 1.00 0.00 H new ATOM 421 N CYS A 47 3.250 14.560 -11.120 1.00 0.00 N ATOM 422 CA CYS A 47 3.450 13.330 -10.320 1.00 0.00 C ATOM 423 C CYS A 47 3.300 12.030 -11.130 1.00 0.00 C ATOM 424 O CYS A 47 4.200 11.190 -11.110 1.00 0.00 O ATOM 425 CB CYS A 47 2.470 13.330 -9.150 1.00 0.00 C ATOM 426 SG CYS A 47 3.230 12.990 -7.520 1.00 0.00 S ATOM 0 H CYS A 47 2.465 15.133 -10.810 1.00 0.00 H new ATOM 0 HA CYS A 47 4.481 13.347 -9.966 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.973 14.299 -9.109 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.698 12.584 -9.339 1.00 0.00 H new ATOM 428 N CYS A 48 2.290 12.010 -11.990 1.00 0.00 N ATOM 429 CA CYS A 48 1.920 10.850 -12.840 1.00 0.00 C ATOM 430 C CYS A 48 2.460 10.930 -14.280 1.00 0.00 C ATOM 431 O CYS A 48 2.160 10.070 -15.110 1.00 0.00 O ATOM 432 CB CYS A 48 0.390 10.740 -12.770 1.00 0.00 C ATOM 433 SG CYS A 48 -0.430 9.490 -13.840 1.00 0.00 S ATOM 0 H CYS A 48 1.679 12.815 -12.131 1.00 0.00 H new ATOM 0 HA CYS A 48 2.392 9.943 -12.462 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.117 10.527 -11.737 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.027 11.716 -13.016 1.00 0.00 H new ATOM 435 N PHE A 49 3.270 11.950 -14.570 1.00 0.00 N ATOM 436 CA PHE A 49 3.960 12.070 -15.860 1.00 0.00 C ATOM 437 C PHE A 49 5.490 11.950 -15.780 1.00 0.00 C ATOM 438 O PHE A 49 6.070 11.130 -16.500 1.00 0.00 O ATOM 439 CB PHE A 49 3.500 13.390 -16.460 1.00 0.00 C ATOM 440 CG PHE A 49 2.290 13.190 -17.380 1.00 0.00 C ATOM 441 CD1 PHE A 49 0.990 13.080 -16.810 1.00 0.00 C ATOM 442 CD2 PHE A 49 2.490 13.050 -18.770 1.00 0.00 C ATOM 443 CE1 PHE A 49 -0.110 12.810 -17.650 1.00 0.00 C ATOM 444 CE2 PHE A 49 1.380 12.790 -19.610 1.00 0.00 C ATOM 445 CZ PHE A 49 0.090 12.670 -19.040 1.00 0.00 C ATOM 0 H PHE A 49 3.467 12.713 -13.923 1.00 0.00 H new ATOM 0 HA PHE A 49 3.694 11.227 -16.498 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.242 14.085 -15.661 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.317 13.841 -17.023 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.848 13.202 -15.746 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.481 13.140 -19.189 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.101 12.711 -17.232 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.517 12.684 -20.676 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.756 12.468 -19.680 1.00 0.00 H new ATOM 447 N ARG A 50 6.080 12.490 -14.720 1.00 0.00 N ATOM 448 CA ARG A 50 7.530 12.800 -14.670 1.00 0.00 C ATOM 449 C ARG A 50 8.070 12.720 -13.230 1.00 0.00 C ATOM 450 O ARG A 50 8.540 11.660 -12.820 1.00 0.00 O ATOM 451 CB ARG A 50 7.810 14.170 -15.320 1.00 0.00 C ATOM 452 CG ARG A 50 9.320 14.370 -15.550 1.00 0.00 C ATOM 453 CD ARG A 50 9.700 15.840 -15.770 1.00 0.00 C ATOM 454 NE ARG A 50 9.580 16.620 -14.530 1.00 0.00 N ATOM 455 CZ ARG A 50 10.550 16.890 -13.650 1.00 0.00 C ATOM 456 NH1 ARG A 50 11.780 16.410 -13.780 1.00 0.00 N ATOM 457 NH2 ARG A 50 10.310 17.690 -12.620 1.00 0.00 N ATOM 0 H ARG A 50 5.579 12.730 -13.864 1.00 0.00 H new ATOM 0 HA ARG A 50 8.065 12.046 -15.247 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.281 14.241 -16.270 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.427 14.966 -14.681 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.868 13.983 -14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.631 13.786 -16.416 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.723 15.901 -16.141 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.057 16.272 -16.536 1.00 0.00 H new ATOM 0 HE ARG A 50 8.656 16.996 -14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.013 15.812 -14.573 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.493 16.639 -13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.384 18.101 -12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.051 17.895 -11.950 1.00 0.00 H new ATOM 464 N SER A 51 8.050 13.830 -12.490 1.00 0.00 N ATOM 465 CA SER A 51 8.500 13.840 -11.090 1.00 0.00 C ATOM 466 C SER A 51 7.260 13.920 -10.140 1.00 0.00 C ATOM 467 O SER A 51 6.500 14.880 -10.230 1.00 0.00 O ATOM 468 CB SER A 51 9.400 15.010 -10.750 1.00 0.00 C ATOM 469 OG SER A 51 10.650 14.870 -11.430 1.00 0.00 O ATOM 0 H SER A 51 7.728 14.735 -12.833 1.00 0.00 H new ATOM 0 HA SER A 51 9.068 12.920 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.921 15.946 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.564 15.054 -9.673 1.00 0.00 H new ATOM 0 HG SER A 51 11.229 15.629 -11.209 1.00 0.00 H new ATOM 472 N CYS A 52 6.970 12.910 -9.300 1.00 0.00 N ATOM 473 CA CYS A 52 6.740 13.210 -7.870 1.00 0.00 C ATOM 474 C CYS A 52 8.040 13.640 -7.160 1.00 0.00 C ATOM 475 O CYS A 52 8.820 12.830 -6.650 1.00 0.00 O ATOM 476 CB CYS A 52 6.120 11.990 -7.180 1.00 0.00 C ATOM 477 SG CYS A 52 4.490 11.410 -7.790 1.00 0.00 S ATOM 0 H CYS A 52 6.891 11.928 -9.564 1.00 0.00 H new ATOM 0 HA CYS A 52 6.048 14.049 -7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.824 11.162 -7.263 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.020 12.218 -6.119 1.00 0.00 H new ATOM 479 N ASP A 53 8.250 14.950 -7.170 1.00 0.00 N ATOM 480 CA ASP A 53 9.560 15.610 -6.970 1.00 0.00 C ATOM 481 C ASP A 53 10.110 15.480 -5.540 1.00 0.00 C ATOM 482 O ASP A 53 10.550 14.390 -5.160 1.00 0.00 O ATOM 483 CB ASP A 53 9.420 17.040 -7.500 1.00 0.00 C ATOM 484 CG ASP A 53 10.760 17.660 -7.900 1.00 0.00 C ATOM 485 OD1 ASP A 53 11.280 17.280 -8.970 1.00 0.00 O ATOM 486 OD2 ASP A 53 11.320 18.340 -7.010 1.00 0.00 O ATOM 0 H ASP A 53 7.494 15.617 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 53 10.340 15.101 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.754 17.039 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.951 17.661 -6.736 1.00 0.00 H new ATOM 488 N LEU A 54 10.400 16.630 -4.930 1.00 0.00 N ATOM 489 CA LEU A 54 10.950 16.780 -3.570 1.00 0.00 C ATOM 490 C LEU A 54 10.740 18.150 -2.890 1.00 0.00 C ATOM 491 O LEU A 54 10.440 18.190 -1.710 1.00 0.00 O ATOM 492 CB LEU A 54 12.430 16.360 -3.460 1.00 0.00 C ATOM 493 CG LEU A 54 13.350 17.110 -4.430 1.00 0.00 C ATOM 494 CD1 LEU A 54 14.650 17.490 -3.710 1.00 0.00 C ATOM 495 CD2 LEU A 54 13.640 16.280 -5.690 1.00 0.00 C ATOM 0 H LEU A 54 10.253 17.529 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 54 10.334 16.078 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.773 16.531 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.511 15.289 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 54 12.844 18.018 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.305 18.023 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.420 18.130 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.150 16.587 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.295 16.844 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.127 15.347 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.704 16.060 -6.204 1.00 0.00 H new ATOM 497 N ARG A 55 10.840 19.230 -3.670 1.00 0.00 N ATOM 498 CA ARG A 55 10.920 20.630 -3.220 1.00 0.00 C ATOM 499 C ARG A 55 11.020 21.410 -4.540 1.00 0.00 C ATOM 500 O ARG A 55 12.080 21.640 -5.120 1.00 0.00 O ATOM 501 CB ARG A 55 12.160 20.860 -2.340 1.00 0.00 C ATOM 502 CG ARG A 55 12.030 22.070 -1.410 1.00 0.00 C ATOM 503 CD ARG A 55 11.250 21.750 -0.120 1.00 0.00 C ATOM 504 NE ARG A 55 9.790 21.740 -0.330 1.00 0.00 N ATOM 505 CZ ARG A 55 8.880 21.340 0.560 1.00 0.00 C ATOM 506 NH1 ARG A 55 9.180 20.760 1.710 1.00 0.00 N ATOM 507 NH2 ARG A 55 7.630 21.720 0.390 1.00 0.00 N ATOM 0 H ARG A 55 10.869 19.151 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 55 10.073 20.934 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.341 19.968 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.031 20.996 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.025 22.430 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.528 22.879 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.566 20.778 0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.499 22.487 0.643 1.00 0.00 H new ATOM 0 HE ARG A 55 9.447 22.067 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.155 20.595 1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.436 20.477 2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.379 22.305 -0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.914 21.429 1.055 1.00 0.00 H new ATOM 514 N ARG A 56 9.800 21.630 -5.000 1.00 0.00 N ATOM 515 CA ARG A 56 9.200 21.500 -6.350 1.00 0.00 C ATOM 516 C ARG A 56 8.130 20.370 -6.290 1.00 0.00 C ATOM 517 O ARG A 56 7.840 19.700 -7.280 1.00 0.00 O ATOM 518 CB ARG A 56 10.240 21.280 -7.470 1.00 0.00 C ATOM 519 CG ARG A 56 9.720 21.640 -8.860 1.00 0.00 C ATOM 520 CD ARG A 56 9.830 20.440 -9.820 1.00 0.00 C ATOM 521 NE ARG A 56 9.200 20.730 -11.120 1.00 0.00 N ATOM 522 CZ ARG A 56 7.890 20.840 -11.380 1.00 0.00 C ATOM 523 NH1 ARG A 56 6.970 20.740 -10.430 1.00 0.00 N ATOM 524 NH2 ARG A 56 7.480 20.980 -12.630 1.00 0.00 N ATOM 0 H ARG A 56 9.088 21.954 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 56 8.727 22.444 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.126 21.878 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.552 20.236 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.681 21.961 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.288 22.481 -9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.880 20.188 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.355 19.568 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 56 9.831 20.862 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.251 20.574 -9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.982 20.829 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.160 21.004 -13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.484 21.064 -12.834 1.00 0.00 H new ATOM 531 N LEU A 57 7.670 20.050 -5.080 1.00 0.00 N ATOM 532 CA LEU A 57 6.480 19.230 -4.800 1.00 0.00 C ATOM 533 C LEU A 57 5.260 20.050 -4.360 1.00 0.00 C ATOM 534 O LEU A 57 4.210 19.930 -4.980 1.00 0.00 O ATOM 535 CB LEU A 57 6.770 18.200 -3.700 1.00 0.00 C ATOM 536 CG LEU A 57 6.880 16.810 -4.310 1.00 0.00 C ATOM 537 CD1 LEU A 57 7.280 15.780 -3.260 1.00 0.00 C ATOM 538 CD2 LEU A 57 5.580 16.330 -4.940 1.00 0.00 C ATOM 0 H LEU A 57 8.133 20.367 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 57 6.245 18.741 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.696 18.455 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.975 18.218 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 57 7.641 16.899 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.351 14.796 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.246 16.051 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.529 15.755 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.724 15.333 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.799 16.296 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.285 17.016 -5.734 1.00 0.00 H new ATOM 540 N GLU A 58 5.440 20.870 -3.320 1.00 0.00 N ATOM 541 CA GLU A 58 4.370 21.640 -2.670 1.00 0.00 C ATOM 542 C GLU A 58 3.540 22.530 -3.600 1.00 0.00 C ATOM 543 O GLU A 58 2.380 22.800 -3.300 1.00 0.00 O ATOM 544 CB GLU A 58 5.080 22.500 -1.630 1.00 0.00 C ATOM 545 CG GLU A 58 4.480 22.340 -0.250 1.00 0.00 C ATOM 546 CD GLU A 58 2.990 22.700 -0.110 1.00 0.00 C ATOM 547 OE1 GLU A 58 2.720 23.870 0.270 1.00 0.00 O ATOM 548 OE2 GLU A 58 2.180 21.760 -0.210 1.00 0.00 O ATOM 0 H GLU A 58 6.355 21.022 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 58 3.639 20.944 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.136 22.231 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.026 23.547 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.613 21.304 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.048 22.959 0.444 1.00 0.00 H new ATOM 550 N MET A 59 4.150 22.940 -4.720 1.00 0.00 N ATOM 551 CA MET A 59 3.490 23.510 -5.900 1.00 0.00 C ATOM 552 C MET A 59 2.180 22.780 -6.270 1.00 0.00 C ATOM 553 O MET A 59 1.100 23.380 -6.270 1.00 0.00 O ATOM 554 CB MET A 59 4.540 23.390 -7.000 1.00 0.00 C ATOM 555 CG MET A 59 5.520 24.560 -7.020 1.00 0.00 C ATOM 556 SD MET A 59 4.780 26.140 -7.570 1.00 0.00 S ATOM 557 CE MET A 59 5.050 26.010 -9.330 1.00 0.00 C ATOM 0 H MET A 59 5.162 22.880 -4.832 1.00 0.00 H new ATOM 0 HA MET A 59 3.173 24.539 -5.729 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.094 22.461 -6.865 1.00 0.00 H new ATOM 0 HB3 MET A 59 4.040 23.326 -7.966 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.932 24.692 -6.020 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.353 24.312 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.872 26.978 -9.798 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.078 25.699 -9.518 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.365 25.273 -9.750 1.00 0.00 H new ATOM 559 N TYR A 60 2.280 21.460 -6.400 1.00 0.00 N ATOM 560 CA TYR A 60 1.170 20.600 -6.820 1.00 0.00 C ATOM 561 C TYR A 60 0.620 19.660 -5.730 1.00 0.00 C ATOM 562 O TYR A 60 -0.590 19.540 -5.610 1.00 0.00 O ATOM 563 CB TYR A 60 1.560 19.860 -8.100 1.00 0.00 C ATOM 564 CG TYR A 60 2.800 18.960 -8.010 1.00 0.00 C ATOM 565 CD1 TYR A 60 4.090 19.530 -8.190 1.00 0.00 C ATOM 566 CD2 TYR A 60 2.630 17.570 -7.910 1.00 0.00 C ATOM 567 CE1 TYR A 60 5.210 18.690 -8.280 1.00 0.00 C ATOM 568 CE2 TYR A 60 3.750 16.720 -8.010 1.00 0.00 C ATOM 569 CZ TYR A 60 5.020 17.290 -8.190 1.00 0.00 C ATOM 570 OH TYR A 60 6.110 16.480 -8.190 1.00 0.00 O ATOM 0 H TYR A 60 3.143 20.948 -6.215 1.00 0.00 H new ATOM 0 HA TYR A 60 0.323 21.255 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.714 19.248 -8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.728 20.598 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.207 20.602 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.645 17.154 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.198 19.104 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.633 15.648 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 60 6.173 16.016 -9.051 1.00 0.00 H new ATOM 573 N CYS A 61 1.520 19.150 -4.880 1.00 0.00 N ATOM 574 CA CYS A 61 1.260 18.200 -3.770 1.00 0.00 C ATOM 575 C CYS A 61 -0.090 18.460 -3.080 1.00 0.00 C ATOM 576 O CYS A 61 -0.930 17.560 -3.010 1.00 0.00 O ATOM 577 CB CYS A 61 2.430 18.370 -2.790 1.00 0.00 C ATOM 578 SG CYS A 61 2.880 16.940 -1.740 1.00 0.00 S ATOM 0 H CYS A 61 2.507 19.398 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 61 1.194 17.179 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.311 18.652 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.197 19.208 -2.133 1.00 0.00 H new ATOM 580 N ALA A 62 -0.030 19.460 -2.210 1.00 0.00 N ATOM 581 CA ALA A 62 -0.970 20.590 -2.060 1.00 0.00 C ATOM 582 C ALA A 62 -0.840 21.220 -0.660 1.00 0.00 C ATOM 583 O ALA A 62 -0.440 20.540 0.290 1.00 0.00 O ATOM 584 CB ALA A 62 -2.430 20.260 -2.330 1.00 0.00 C ATOM 0 H ALA A 62 0.732 19.517 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.675 21.296 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.037 21.155 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.539 19.901 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.762 19.487 -1.637 1.00 0.00 H new ATOM 586 N PRO A 63 -0.930 22.550 -0.630 1.00 0.00 N ATOM 587 CA PRO A 63 -1.330 23.270 0.590 1.00 0.00 C ATOM 588 C PRO A 63 -2.850 23.500 0.610 1.00 0.00 C ATOM 589 O PRO A 63 -3.480 23.710 -0.430 1.00 0.00 O ATOM 590 CB PRO A 63 -0.540 24.580 0.500 1.00 0.00 C ATOM 591 CG PRO A 63 -0.450 24.850 -1.000 1.00 0.00 C ATOM 592 CD PRO A 63 -0.320 23.460 -1.620 1.00 0.00 C ATOM 0 HA PRO A 63 -1.118 22.727 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.049 25.390 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.449 24.482 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.336 25.369 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.409 25.477 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.835 23.404 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.724 23.204 -1.803 1.00 0.00 H new ATOM 593 N LEU A 64 -3.410 23.220 1.780 1.00 0.00 N ATOM 594 CA LEU A 64 -4.730 23.750 2.180 1.00 0.00 C ATOM 595 C LEU A 64 -4.610 24.910 3.190 1.00 0.00 C ATOM 596 O LEU A 64 -5.490 25.770 3.270 1.00 0.00 O ATOM 597 CB LEU A 64 -5.640 22.630 2.720 1.00 0.00 C ATOM 598 CG LEU A 64 -6.050 21.650 1.610 1.00 0.00 C ATOM 599 CD1 LEU A 64 -6.670 20.390 2.220 1.00 0.00 C ATOM 600 CD2 LEU A 64 -6.990 22.280 0.590 1.00 0.00 C ATOM 0 H LEU A 64 -2.974 22.623 2.483 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.195 24.158 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.121 22.088 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.532 23.069 3.167 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.144 21.376 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.956 19.703 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.943 19.906 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.552 20.662 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.247 21.543 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.898 22.617 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.498 23.131 0.119 1.00 0.00 H new ATOM 602 N LYS A 65 -3.540 24.880 3.980 1.00 0.00 N ATOM 603 CA LYS A 65 -2.880 26.080 4.520 1.00 0.00 C ATOM 604 C LYS A 65 -2.370 27.020 3.400 1.00 0.00 C ATOM 605 O LYS A 65 -2.260 26.570 2.250 1.00 0.00 O ATOM 606 CB LYS A 65 -1.730 25.640 5.430 1.00 0.00 C ATOM 607 CG LYS A 65 -2.160 25.410 6.890 1.00 0.00 C ATOM 608 CD LYS A 65 -3.090 24.210 7.110 1.00 0.00 C ATOM 609 CE LYS A 65 -2.360 22.880 6.950 1.00 0.00 C ATOM 610 NZ LYS A 65 -3.320 21.780 6.890 1.00 0.00 N ATOM 0 H LYS A 65 -3.095 24.010 4.272 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.610 26.652 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.297 24.720 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.946 26.397 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.266 25.275 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.659 26.309 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.524 24.267 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.916 24.257 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.757 22.895 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.676 22.730 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.809 20.876 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.912 21.789 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.923 21.891 6.050 1.00 0.00 H new ATOM 614 N PRO A 66 -2.130 28.310 3.670 1.00 0.00 N ATOM 615 CA PRO A 66 -1.520 29.250 2.700 1.00 0.00 C ATOM 616 C PRO A 66 -0.300 28.670 1.960 1.00 0.00 C ATOM 617 O PRO A 66 0.510 27.940 2.520 1.00 0.00 O ATOM 618 CB PRO A 66 -1.140 30.470 3.550 1.00 0.00 C ATOM 619 CG PRO A 66 -2.290 30.520 4.550 1.00 0.00 C ATOM 620 CD PRO A 66 -2.560 29.050 4.870 1.00 0.00 C ATOM 0 HA PRO A 66 -2.215 29.489 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.175 30.342 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.076 31.380 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.018 31.081 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.169 31.005 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.004 28.730 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.616 28.880 5.081 1.00 0.00 H new ATOM 621 N ALA A 67 -0.190 29.090 0.700 1.00 0.00 N ATOM 622 CA ALA A 67 0.620 28.410 -0.330 1.00 0.00 C ATOM 623 C ALA A 67 2.140 28.530 -0.130 1.00 0.00 C ATOM 624 O ALA A 67 2.700 29.630 -0.070 1.00 0.00 O ATOM 625 CB ALA A 67 0.220 28.930 -1.710 1.00 0.00 C ATOM 0 H ALA A 67 -0.665 29.924 0.354 1.00 0.00 H new ATOM 0 HA ALA A 67 0.404 27.345 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.816 28.430 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.837 28.726 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.395 30.005 -1.759 1.00 0.00 H new ATOM 627 N LYS A 68 2.780 27.370 -0.130 1.00 0.00 N ATOM 628 CA LYS A 68 4.250 27.260 -0.240 1.00 0.00 C ATOM 629 C LYS A 68 4.620 26.750 -1.640 1.00 0.00 C ATOM 630 O LYS A 68 4.290 25.620 -2.030 1.00 0.00 O ATOM 631 CB LYS A 68 4.780 26.300 0.840 1.00 0.00 C ATOM 632 CG LYS A 68 6.300 26.300 0.920 1.00 0.00 C ATOM 633 CD LYS A 68 6.780 25.080 1.700 1.00 0.00 C ATOM 634 CE LYS A 68 8.300 25.020 1.810 1.00 0.00 C ATOM 635 NZ LYS A 68 8.710 23.690 2.280 1.00 0.00 N ATOM 0 H LYS A 68 2.306 26.470 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 68 4.704 28.239 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.368 26.584 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.430 25.290 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.725 26.291 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.647 27.212 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.347 25.098 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.418 24.175 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.753 25.230 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.655 25.786 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.625 23.438 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.801 23.701 3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.994 22.988 2.003 1.00 0.00 H new ATOM 639 N SER A 69 5.160 27.670 -2.430 1.00 0.00 N ATOM 640 CA SER A 69 5.690 27.390 -3.780 1.00 0.00 C ATOM 641 C SER A 69 7.070 26.700 -3.710 1.00 0.00 C ATOM 642 O SER A 69 8.120 27.320 -3.910 1.00 0.00 O ATOM 643 CB SER A 69 5.740 28.690 -4.600 1.00 0.00 C ATOM 644 OG SER A 69 6.370 28.450 -5.860 1.00 0.00 O ATOM 0 H SER A 69 5.248 28.649 -2.157 1.00 0.00 H new ATOM 0 HA SER A 69 5.019 26.694 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.730 29.070 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.288 29.455 -4.050 1.00 0.00 H new ATOM 0 HG SER A 69 5.867 27.769 -6.353 1.00 0.00 H new ATOM 647 N ALA A 70 7.000 25.390 -3.500 1.00 0.00 N ATOM 648 CA ALA A 70 8.150 24.480 -3.320 1.00 0.00 C ATOM 649 C ALA A 70 7.660 23.050 -3.610 1.00 0.00 C ATOM 650 O ALA A 70 6.880 22.920 -4.570 1.00 0.00 O ATOM 651 CB ALA A 70 8.700 24.630 -1.890 1.00 0.00 C ATOM 652 OXT ALA A 70 8.060 22.060 -2.960 1.00 0.00 O ATOM 0 H ALA A 70 6.106 24.902 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 70 8.966 24.718 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.549 23.960 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.021 25.659 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.920 24.378 -1.172 1.00 0.00 H new TER 654 ALA A 70