USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 153 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 77 GLN : amide:sc= -0.0531 X(o=-0.058,f=-0.0049) USER MOD Set 1.2: A 94 GLN : amide:sc=-0.00487 X(o=-0.058,f=-0.17) USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-1) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 52 TYR OH : rot -115:sc= -2.48! USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= 0.154 USER MOD Set 4.1: A 32 GLN : amide:sc= -2.35 K(o=-2.2,f=-11!) USER MOD Set 4.2: A 56 THR OG1 : rot 172:sc= 0.107 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -3.31! USER MOD Single : A 18 THR OG1 : rot -142:sc= -0.759 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.2!) USER MOD Single : A 39 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 42 SER OG : rot -53:sc= 0.266 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 85:sc= -0.576 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -115:sc= -0.212! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 60:sc= 0.776 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -113:sc= 2.78 USER MOD Single : A 88 THR OG1 : rot 97:sc= 0.242 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N VAL A 2 1.810 0.890 -3.420 1.00 0.00 N ATOM 13 CA VAL A 2 1.170 1.480 -4.620 1.00 0.00 C ATOM 14 C VAL A 2 0.170 0.460 -5.180 1.00 0.00 C ATOM 15 O VAL A 2 0.530 -0.700 -5.390 1.00 0.00 O ATOM 16 CB VAL A 2 2.250 1.820 -5.670 1.00 0.00 C ATOM 17 CG1 VAL A 2 1.700 2.690 -6.790 1.00 0.00 C ATOM 18 CG2 VAL A 2 3.340 2.680 -5.070 1.00 0.00 C ATOM 0 HA VAL A 2 0.646 2.401 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 2 2.607 0.854 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.493 2.905 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.889 2.165 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.324 3.624 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.087 2.904 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.908 3.610 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.812 2.146 -4.245 1.00 0.00 H new ATOM 20 N SER A 3 -1.010 0.950 -5.540 1.00 0.00 N ATOM 21 CA SER A 3 -2.060 0.100 -6.160 1.00 0.00 C ATOM 22 C SER A 3 -1.810 -0.210 -7.650 1.00 0.00 C ATOM 23 O SER A 3 -2.660 -0.770 -8.350 1.00 0.00 O ATOM 24 CB SER A 3 -3.450 0.730 -6.000 1.00 0.00 C ATOM 25 OG SER A 3 -3.860 0.640 -4.640 1.00 0.00 O ATOM 0 H SER A 3 -1.279 1.927 -5.420 1.00 0.00 H new ATOM 0 HA SER A 3 -2.015 -0.847 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.426 1.773 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.168 0.219 -6.642 1.00 0.00 H new ATOM 0 HG SER A 3 -4.747 1.044 -4.538 1.00 0.00 H new ATOM 28 N GLY A 4 -0.630 0.180 -8.110 1.00 0.00 N ATOM 29 CA GLY A 4 -0.160 0.010 -9.490 1.00 0.00 C ATOM 30 C GLY A 4 0.130 1.380 -10.110 1.00 0.00 C ATOM 31 O GLY A 4 0.240 2.390 -9.430 1.00 0.00 O ATOM 0 H GLY A 4 0.057 0.642 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.740 -0.604 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.913 -0.514 -10.079 1.00 0.00 H new ATOM 33 N THR A 5 0.410 1.350 -11.400 1.00 0.00 N ATOM 34 CA THR A 5 0.690 2.560 -12.200 1.00 0.00 C ATOM 35 C THR A 5 -0.610 3.100 -12.790 1.00 0.00 C ATOM 36 O THR A 5 -1.690 2.530 -12.640 1.00 0.00 O ATOM 37 CB THR A 5 1.720 2.190 -13.280 1.00 0.00 C ATOM 38 OG1 THR A 5 2.690 1.290 -12.720 1.00 0.00 O ATOM 39 CG2 THR A 5 2.500 3.390 -13.820 1.00 0.00 C ATOM 0 H THR A 5 0.453 0.485 -11.940 1.00 0.00 H new ATOM 0 HA THR A 5 1.108 3.355 -11.583 1.00 0.00 H new ATOM 0 HB THR A 5 1.150 1.749 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.348 1.050 -13.406 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.208 3.053 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.807 4.105 -14.263 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.042 3.868 -13.004 1.00 0.00 H new ATOM 42 N VAL A 6 -0.500 4.300 -13.340 1.00 0.00 N ATOM 43 CA VAL A 6 -1.640 5.040 -13.900 1.00 0.00 C ATOM 44 C VAL A 6 -1.160 5.790 -15.150 1.00 0.00 C ATOM 45 O VAL A 6 -0.130 6.470 -15.150 1.00 0.00 O ATOM 46 CB VAL A 6 -2.250 5.910 -12.780 1.00 0.00 C ATOM 47 CG1 VAL A 6 -1.480 7.170 -12.430 1.00 0.00 C ATOM 48 CG2 VAL A 6 -3.710 6.230 -13.100 1.00 0.00 C ATOM 0 H VAL A 6 0.387 4.799 -13.415 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.451 4.398 -14.242 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.183 5.301 -11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.998 7.703 -11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.477 6.903 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.411 7.810 -13.309 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.131 6.844 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.765 6.772 -14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.277 5.302 -13.181 1.00 0.00 H new ATOM 50 N CYS A 7 -1.690 5.310 -16.260 1.00 0.00 N ATOM 51 CA CYS A 7 -1.410 5.880 -17.580 1.00 0.00 C ATOM 52 C CYS A 7 -1.620 7.390 -17.540 1.00 0.00 C ATOM 53 O CYS A 7 -2.580 7.870 -16.930 1.00 0.00 O ATOM 54 CB CYS A 7 -2.360 5.230 -18.590 1.00 0.00 C ATOM 55 SG CYS A 7 -2.070 3.430 -18.730 1.00 0.00 S ATOM 0 H CYS A 7 -2.328 4.514 -16.280 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.377 5.688 -17.871 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.392 5.410 -18.287 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.228 5.697 -19.566 1.00 0.00 H new ATOM 57 N LEU A 8 -0.670 8.130 -18.090 1.00 0.00 N ATOM 58 CA LEU A 8 -0.780 9.600 -18.110 1.00 0.00 C ATOM 59 C LEU A 8 -2.090 10.070 -18.770 1.00 0.00 C ATOM 60 O LEU A 8 -2.800 10.870 -18.180 1.00 0.00 O ATOM 61 CB LEU A 8 0.410 10.230 -18.810 1.00 0.00 C ATOM 62 CG LEU A 8 1.010 11.460 -18.100 1.00 0.00 C ATOM 63 CD1 LEU A 8 1.510 12.330 -19.240 1.00 0.00 C ATOM 64 CD2 LEU A 8 0.060 12.290 -17.220 1.00 0.00 C ATOM 0 H LEU A 8 0.174 7.757 -18.523 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.790 9.928 -17.071 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.190 9.476 -18.918 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.108 10.522 -19.816 1.00 0.00 H new ATOM 0 HG LEU A 8 1.761 11.111 -17.391 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.958 13.238 -18.836 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.256 11.782 -19.816 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.675 12.596 -19.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.607 13.124 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.758 12.674 -17.829 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.343 11.661 -16.426 1.00 0.00 H new ATOM 66 N SER A 9 -2.500 9.320 -19.800 1.00 0.00 N ATOM 67 CA SER A 9 -3.790 9.510 -20.510 1.00 0.00 C ATOM 68 C SER A 9 -5.020 9.140 -19.650 1.00 0.00 C ATOM 69 O SER A 9 -6.150 9.510 -19.970 1.00 0.00 O ATOM 70 CB SER A 9 -3.780 8.690 -21.800 1.00 0.00 C ATOM 71 OG SER A 9 -4.900 9.030 -22.610 1.00 0.00 O ATOM 0 H SER A 9 -1.944 8.552 -20.176 1.00 0.00 H new ATOM 0 HA SER A 9 -3.884 10.573 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.856 8.874 -22.349 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.803 7.626 -21.563 1.00 0.00 H new ATOM 0 HG SER A 9 -4.881 8.499 -23.434 1.00 0.00 H new ATOM 74 N ALA A 10 -4.800 8.420 -18.550 1.00 0.00 N ATOM 75 CA ALA A 10 -5.860 8.060 -17.590 1.00 0.00 C ATOM 76 C ALA A 10 -6.180 9.210 -16.620 1.00 0.00 C ATOM 77 O ALA A 10 -7.310 9.360 -16.160 1.00 0.00 O ATOM 78 CB ALA A 10 -5.430 6.810 -16.800 1.00 0.00 C ATOM 0 H ALA A 10 -3.879 8.065 -18.293 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.768 7.853 -18.156 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.212 6.542 -16.090 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.267 5.982 -17.490 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.506 7.020 -16.261 1.00 0.00 H new ATOM 80 N LEU A 11 -5.150 9.980 -16.290 1.00 0.00 N ATOM 81 CA LEU A 11 -5.200 11.140 -15.390 1.00 0.00 C ATOM 82 C LEU A 11 -5.660 12.420 -16.150 1.00 0.00 C ATOM 83 O LEU A 11 -5.830 12.350 -17.370 1.00 0.00 O ATOM 84 CB LEU A 11 -3.760 11.320 -14.940 1.00 0.00 C ATOM 85 CG LEU A 11 -3.150 10.100 -14.250 1.00 0.00 C ATOM 86 CD1 LEU A 11 -1.670 10.120 -14.590 1.00 0.00 C ATOM 87 CD2 LEU A 11 -3.420 10.110 -12.750 1.00 0.00 C ATOM 0 H LEU A 11 -4.213 9.811 -16.655 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.901 10.987 -14.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.151 11.572 -15.808 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.710 12.169 -14.258 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.602 9.172 -14.600 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.178 9.267 -14.122 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.544 10.063 -15.671 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.224 11.044 -14.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.971 9.228 -12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.986 11.007 -12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.496 10.102 -12.574 1.00 0.00 H new ATOM 89 N PRO A 12 -5.840 13.580 -15.480 1.00 0.00 N ATOM 90 CA PRO A 12 -6.170 14.850 -16.170 1.00 0.00 C ATOM 91 C PRO A 12 -5.040 15.360 -17.090 1.00 0.00 C ATOM 92 O PRO A 12 -3.890 14.970 -16.900 1.00 0.00 O ATOM 93 CB PRO A 12 -6.470 15.830 -15.010 1.00 0.00 C ATOM 94 CG PRO A 12 -5.670 15.280 -13.840 1.00 0.00 C ATOM 95 CD PRO A 12 -5.860 13.770 -14.020 1.00 0.00 C ATOM 0 HA PRO A 12 -7.011 14.732 -16.854 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.165 16.846 -15.258 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.536 15.864 -14.783 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.620 15.570 -13.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.053 15.630 -12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.064 13.207 -13.533 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.801 13.432 -13.586 1.00 0.00 H new ATOM 96 N PRO A 13 -5.300 16.350 -17.970 1.00 0.00 N ATOM 97 CA PRO A 13 -4.240 16.980 -18.800 1.00 0.00 C ATOM 98 C PRO A 13 -3.200 17.740 -17.970 1.00 0.00 C ATOM 99 O PRO A 13 -2.050 17.900 -18.370 1.00 0.00 O ATOM 100 CB PRO A 13 -4.990 17.920 -19.760 1.00 0.00 C ATOM 101 CG PRO A 13 -6.240 18.300 -18.980 1.00 0.00 C ATOM 102 CD PRO A 13 -6.600 17.020 -18.220 1.00 0.00 C ATOM 0 HA PRO A 13 -3.661 16.222 -19.328 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.393 18.796 -20.012 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.238 17.422 -20.697 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.050 19.129 -18.299 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.047 18.611 -19.644 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.115 17.246 -17.286 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.266 16.386 -18.806 1.00 0.00 H new ATOM 103 N GLU A 14 -3.600 18.110 -16.750 1.00 0.00 N ATOM 104 CA GLU A 14 -2.710 18.760 -15.790 1.00 0.00 C ATOM 105 C GLU A 14 -1.820 17.780 -15.010 1.00 0.00 C ATOM 106 O GLU A 14 -0.750 18.180 -14.580 1.00 0.00 O ATOM 107 CB GLU A 14 -3.500 19.660 -14.840 1.00 0.00 C ATOM 108 CG GLU A 14 -2.500 20.560 -14.150 1.00 0.00 C ATOM 109 CD GLU A 14 -2.340 21.960 -14.750 1.00 0.00 C ATOM 110 OE1 GLU A 14 -3.250 22.410 -15.480 1.00 0.00 O ATOM 111 OE2 GLU A 14 -1.380 22.630 -14.310 1.00 0.00 O ATOM 0 H GLU A 14 -4.548 17.967 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.029 19.375 -16.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.235 20.249 -15.389 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.049 19.064 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.793 20.664 -13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.528 20.067 -14.161 1.00 0.00 H new ATOM 113 N ALA A 15 -2.190 16.500 -14.970 1.00 0.00 N ATOM 114 CA ALA A 15 -1.340 15.450 -14.370 1.00 0.00 C ATOM 115 C ALA A 15 0.100 15.430 -14.910 1.00 0.00 C ATOM 116 O ALA A 15 1.040 15.170 -14.150 1.00 0.00 O ATOM 117 CB ALA A 15 -1.980 14.090 -14.530 1.00 0.00 C ATOM 0 H ALA A 15 -3.074 16.156 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.264 15.698 -13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.339 13.331 -14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.951 14.084 -14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.113 13.873 -15.590 1.00 0.00 H new ATOM 119 N THR A 16 0.250 15.930 -16.130 1.00 0.00 N ATOM 120 CA THR A 16 1.550 16.160 -16.790 1.00 0.00 C ATOM 121 C THR A 16 2.270 17.440 -16.340 1.00 0.00 C ATOM 122 O THR A 16 3.490 17.470 -16.300 1.00 0.00 O ATOM 123 CB THR A 16 1.420 16.040 -18.320 1.00 0.00 C ATOM 124 OG1 THR A 16 2.420 15.100 -18.690 1.00 0.00 O ATOM 125 CG2 THR A 16 1.580 17.310 -19.160 1.00 0.00 C ATOM 0 H THR A 16 -0.544 16.197 -16.712 1.00 0.00 H new ATOM 0 HA THR A 16 2.211 15.362 -16.453 1.00 0.00 H new ATOM 0 HB THR A 16 0.389 15.756 -18.533 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.400 14.966 -19.661 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.462 17.065 -20.216 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.821 18.037 -18.869 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.571 17.734 -18.994 1.00 0.00 H new ATOM 128 N ASP A 17 1.500 18.490 -16.030 1.00 0.00 N ATOM 129 CA ASP A 17 2.020 19.810 -15.630 1.00 0.00 C ATOM 130 C ASP A 17 3.060 19.650 -14.530 1.00 0.00 C ATOM 131 O ASP A 17 4.220 19.920 -14.790 1.00 0.00 O ATOM 132 CB ASP A 17 0.900 20.720 -15.110 1.00 0.00 C ATOM 133 CG ASP A 17 1.290 22.190 -15.030 1.00 0.00 C ATOM 134 OD1 ASP A 17 1.880 22.570 -13.990 1.00 0.00 O ATOM 135 OD2 ASP A 17 0.950 22.890 -16.000 1.00 0.00 O ATOM 0 H ASP A 17 0.481 18.449 -16.049 1.00 0.00 H new ATOM 0 HA ASP A 17 2.467 20.265 -16.514 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.031 20.619 -15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.598 20.379 -14.120 1.00 0.00 H new ATOM 137 N THR A 18 2.690 18.960 -13.450 1.00 0.00 N ATOM 138 CA THR A 18 3.650 18.630 -12.380 1.00 0.00 C ATOM 139 C THR A 18 4.910 17.910 -12.870 1.00 0.00 C ATOM 140 O THR A 18 6.010 18.320 -12.520 1.00 0.00 O ATOM 141 CB THR A 18 2.950 17.920 -11.240 1.00 0.00 C ATOM 142 OG1 THR A 18 2.180 18.890 -10.550 1.00 0.00 O ATOM 143 CG2 THR A 18 3.880 17.210 -10.280 1.00 0.00 C ATOM 0 H THR A 18 1.743 18.619 -13.288 1.00 0.00 H new ATOM 0 HA THR A 18 4.034 19.574 -11.994 1.00 0.00 H new ATOM 0 HB THR A 18 2.333 17.129 -11.666 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.210 18.708 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.295 16.729 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.453 16.456 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.562 17.933 -9.833 1.00 0.00 H new ATOM 146 N LEU A 19 4.710 16.830 -13.610 1.00 0.00 N ATOM 147 CA LEU A 19 5.830 16.050 -14.180 1.00 0.00 C ATOM 148 C LEU A 19 6.770 16.930 -15.010 1.00 0.00 C ATOM 149 O LEU A 19 7.980 16.890 -14.800 1.00 0.00 O ATOM 150 CB LEU A 19 5.290 14.900 -15.030 1.00 0.00 C ATOM 151 CG LEU A 19 4.060 14.210 -14.450 1.00 0.00 C ATOM 152 CD1 LEU A 19 3.680 13.080 -15.390 1.00 0.00 C ATOM 153 CD2 LEU A 19 4.220 13.700 -13.010 1.00 0.00 C ATOM 0 H LEU A 19 3.786 16.463 -13.838 1.00 0.00 H new ATOM 0 HA LEU A 19 6.408 15.643 -13.351 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.044 15.282 -16.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.079 14.159 -15.161 1.00 0.00 H new ATOM 0 HG LEU A 19 3.269 14.957 -14.376 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.801 12.565 -15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.457 13.487 -16.376 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.509 12.376 -15.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.293 13.225 -12.687 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.033 12.975 -12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.448 14.538 -12.351 1.00 0.00 H new ATOM 155 N ASN A 20 6.180 17.880 -15.730 1.00 0.00 N ATOM 156 CA ASN A 20 6.920 18.910 -16.490 1.00 0.00 C ATOM 157 C ASN A 20 7.710 19.830 -15.570 1.00 0.00 C ATOM 158 O ASN A 20 8.860 20.150 -15.830 1.00 0.00 O ATOM 159 CB ASN A 20 5.920 19.770 -17.250 1.00 0.00 C ATOM 160 CG ASN A 20 6.320 20.000 -18.700 1.00 0.00 C ATOM 161 OD1 ASN A 20 7.480 20.110 -19.070 1.00 0.00 O ATOM 162 ND2 ASN A 20 5.320 20.070 -19.530 1.00 0.00 N ATOM 0 H ASN A 20 5.167 17.966 -15.810 1.00 0.00 H new ATOM 0 HA ASN A 20 7.611 18.398 -17.160 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.941 19.292 -17.220 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.821 20.733 -16.748 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.492 20.221 -20.524 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.364 19.974 -19.186 1.00 0.00 H new ATOM 166 N LEU A 21 7.120 20.150 -14.430 1.00 0.00 N ATOM 167 CA LEU A 21 7.780 20.960 -13.420 1.00 0.00 C ATOM 168 C LEU A 21 8.880 20.160 -12.690 1.00 0.00 C ATOM 169 O LEU A 21 9.880 20.750 -12.320 1.00 0.00 O ATOM 170 CB LEU A 21 6.720 21.410 -12.430 1.00 0.00 C ATOM 171 CG LEU A 21 5.410 21.970 -12.970 1.00 0.00 C ATOM 172 CD1 LEU A 21 4.400 21.960 -11.830 1.00 0.00 C ATOM 173 CD2 LEU A 21 5.560 23.340 -13.620 1.00 0.00 C ATOM 0 H LEU A 21 6.175 19.857 -14.180 1.00 0.00 H new ATOM 0 HA LEU A 21 8.263 21.816 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.479 20.559 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.166 22.171 -11.790 1.00 0.00 H new ATOM 0 HG LEU A 21 5.055 21.338 -13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.448 22.356 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.259 20.938 -11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.769 22.579 -11.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.590 23.679 -13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.942 24.051 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.256 23.272 -14.456 1.00 0.00 H new ATOM 175 N ILE A 22 8.740 18.850 -12.490 1.00 0.00 N ATOM 176 CA ILE A 22 9.850 17.990 -12.010 1.00 0.00 C ATOM 177 C ILE A 22 10.980 17.890 -13.050 1.00 0.00 C ATOM 178 O ILE A 22 12.160 17.900 -12.700 1.00 0.00 O ATOM 179 CB ILE A 22 9.300 16.610 -11.610 1.00 0.00 C ATOM 180 CG1 ILE A 22 8.570 16.790 -10.290 1.00 0.00 C ATOM 181 CG2 ILE A 22 10.350 15.490 -11.460 1.00 0.00 C ATOM 182 CD1 ILE A 22 7.110 16.400 -10.440 1.00 0.00 C ATOM 0 H ILE A 22 7.867 18.347 -12.651 1.00 0.00 H new ATOM 0 HA ILE A 22 10.294 18.447 -11.126 1.00 0.00 H new ATOM 0 HB ILE A 22 8.657 16.276 -12.424 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.040 16.178 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.645 17.827 -9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.854 14.562 -11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.869 15.349 -12.408 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.070 15.767 -10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.598 16.534 -9.487 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.641 17.030 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.042 15.356 -10.745 1.00 0.00 H new ATOM 184 N ALA A 23 10.580 17.800 -14.310 1.00 0.00 N ATOM 185 CA ALA A 23 11.490 17.680 -15.460 1.00 0.00 C ATOM 186 C ALA A 23 12.240 18.990 -15.750 1.00 0.00 C ATOM 187 O ALA A 23 13.470 19.020 -15.750 1.00 0.00 O ATOM 188 CB ALA A 23 10.700 17.230 -16.700 1.00 0.00 C ATOM 0 H ALA A 23 9.595 17.808 -14.576 1.00 0.00 H new ATOM 0 HA ALA A 23 12.242 16.932 -15.211 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.376 17.142 -17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.235 16.264 -16.504 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.927 17.965 -16.926 1.00 0.00 H new ATOM 190 N SER A 24 11.500 20.090 -15.800 1.00 0.00 N ATOM 191 CA SER A 24 12.030 21.460 -15.980 1.00 0.00 C ATOM 192 C SER A 24 12.450 22.130 -14.670 1.00 0.00 C ATOM 193 O SER A 24 12.820 23.310 -14.660 1.00 0.00 O ATOM 194 CB SER A 24 11.010 22.360 -16.680 1.00 0.00 C ATOM 195 OG SER A 24 11.090 22.200 -18.100 1.00 0.00 O ATOM 0 H SER A 24 10.484 20.067 -15.715 1.00 0.00 H new ATOM 0 HA SER A 24 12.920 21.341 -16.597 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.005 22.115 -16.337 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.193 23.401 -16.415 1.00 0.00 H new ATOM 0 HG SER A 24 10.430 22.781 -18.532 1.00 0.00 H new ATOM 198 N ASP A 25 12.420 21.380 -13.560 1.00 0.00 N ATOM 199 CA ASP A 25 12.680 21.870 -12.190 1.00 0.00 C ATOM 200 C ASP A 25 11.980 23.220 -11.900 1.00 0.00 C ATOM 201 O ASP A 25 12.440 24.040 -11.110 1.00 0.00 O ATOM 202 CB ASP A 25 14.200 21.930 -11.960 1.00 0.00 C ATOM 203 CG ASP A 25 14.620 21.250 -10.660 1.00 0.00 C ATOM 204 OD1 ASP A 25 13.780 21.130 -9.740 1.00 0.00 O ATOM 205 OD2 ASP A 25 15.800 20.820 -10.610 1.00 0.00 O ATOM 0 H ASP A 25 12.208 20.383 -13.587 1.00 0.00 H new ATOM 0 HA ASP A 25 12.245 21.170 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.710 21.454 -12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.521 22.972 -11.942 1.00 0.00 H new ATOM 207 N GLY A 26 10.790 23.330 -12.480 1.00 0.00 N ATOM 208 CA GLY A 26 9.950 24.540 -12.460 1.00 0.00 C ATOM 209 C GLY A 26 9.950 25.370 -13.760 1.00 0.00 C ATOM 210 O GLY A 26 10.290 24.850 -14.820 1.00 0.00 O ATOM 0 H GLY A 26 10.363 22.560 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.924 24.245 -12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.283 25.179 -11.642 1.00 0.00 H new ATOM 212 N PRO A 27 9.390 26.580 -13.670 1.00 0.00 N ATOM 213 CA PRO A 27 8.720 27.130 -12.460 1.00 0.00 C ATOM 214 C PRO A 27 7.340 26.500 -12.250 1.00 0.00 C ATOM 215 O PRO A 27 6.660 26.110 -13.200 1.00 0.00 O ATOM 216 CB PRO A 27 8.620 28.630 -12.720 1.00 0.00 C ATOM 217 CG PRO A 27 8.560 28.750 -14.240 1.00 0.00 C ATOM 218 CD PRO A 27 9.400 27.570 -14.760 1.00 0.00 C ATOM 0 HA PRO A 27 9.276 26.912 -11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.732 29.056 -12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.480 29.162 -12.313 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.533 28.694 -14.601 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.965 29.704 -14.578 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.973 27.155 -15.673 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.416 27.884 -14.997 1.00 0.00 H new ATOM 219 N PHE A 28 7.090 26.210 -10.980 1.00 0.00 N ATOM 220 CA PHE A 28 5.850 25.550 -10.530 1.00 0.00 C ATOM 221 C PHE A 28 4.710 26.550 -10.280 1.00 0.00 C ATOM 222 O PHE A 28 5.000 27.710 -9.960 1.00 0.00 O ATOM 223 CB PHE A 28 6.150 24.760 -9.260 1.00 0.00 C ATOM 224 CG PHE A 28 7.150 23.600 -9.390 1.00 0.00 C ATOM 225 CD1 PHE A 28 8.540 23.860 -9.440 1.00 0.00 C ATOM 226 CD2 PHE A 28 6.680 22.270 -9.330 1.00 0.00 C ATOM 227 CE1 PHE A 28 9.460 22.800 -9.470 1.00 0.00 C ATOM 228 CE2 PHE A 28 7.610 21.210 -9.370 1.00 0.00 C ATOM 229 CZ PHE A 28 8.990 21.470 -9.460 1.00 0.00 C ATOM 0 H PHE A 28 7.738 26.423 -10.222 1.00 0.00 H new ATOM 0 HA PHE A 28 5.510 24.883 -11.323 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.529 25.453 -8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.211 24.359 -8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.895 24.880 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.622 22.067 -9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.521 23.001 -9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.259 20.189 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.690 20.650 -9.522 1.00 0.00 H new ATOM 231 N PRO A 29 3.440 26.150 -10.470 1.00 0.00 N ATOM 232 CA PRO A 29 2.280 27.030 -10.260 1.00 0.00 C ATOM 233 C PRO A 29 2.020 27.280 -8.770 1.00 0.00 C ATOM 234 O PRO A 29 2.300 28.370 -8.280 1.00 0.00 O ATOM 235 CB PRO A 29 1.130 26.310 -10.990 1.00 0.00 C ATOM 236 CG PRO A 29 1.480 24.830 -10.910 1.00 0.00 C ATOM 237 CD PRO A 29 3.000 24.840 -10.980 1.00 0.00 C ATOM 0 HA PRO A 29 2.422 28.036 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.171 26.515 -10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.050 26.642 -12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.120 24.379 -9.985 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.041 24.265 -11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.420 24.031 -10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.341 24.689 -12.004 1.00 0.00 H new ATOM 238 N TYR A 30 1.570 26.250 -8.060 1.00 0.00 N ATOM 239 CA TYR A 30 1.280 26.320 -6.620 1.00 0.00 C ATOM 240 C TYR A 30 2.590 26.340 -5.810 1.00 0.00 C ATOM 241 O TYR A 30 3.640 26.050 -6.360 1.00 0.00 O ATOM 242 CB TYR A 30 0.400 25.130 -6.230 1.00 0.00 C ATOM 243 CG TYR A 30 -0.990 25.130 -6.910 1.00 0.00 C ATOM 244 CD1 TYR A 30 -1.480 26.270 -7.580 1.00 0.00 C ATOM 245 CD2 TYR A 30 -1.780 23.970 -6.760 1.00 0.00 C ATOM 246 CE1 TYR A 30 -2.790 26.270 -8.100 1.00 0.00 C ATOM 247 CE2 TYR A 30 -3.090 23.960 -7.270 1.00 0.00 C ATOM 248 CZ TYR A 30 -3.570 25.110 -7.940 1.00 0.00 C ATOM 249 OH TYR A 30 -4.750 25.030 -8.610 1.00 0.00 O ATOM 0 H TYR A 30 1.393 25.331 -8.466 1.00 0.00 H new ATOM 0 HA TYR A 30 0.744 27.242 -6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.919 24.207 -6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.265 25.129 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.853 27.142 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.382 23.100 -6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.185 27.138 -8.608 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.719 23.090 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.184 24.175 -8.408 1.00 0.00 H new ATOM 252 N SER A 31 2.490 26.630 -4.520 1.00 0.00 N ATOM 253 CA SER A 31 3.650 26.560 -3.600 1.00 0.00 C ATOM 254 C SER A 31 4.090 25.120 -3.270 1.00 0.00 C ATOM 255 O SER A 31 5.080 24.880 -2.580 1.00 0.00 O ATOM 256 CB SER A 31 3.360 27.290 -2.280 1.00 0.00 C ATOM 257 OG SER A 31 3.150 28.670 -2.530 1.00 0.00 O ATOM 0 H SER A 31 1.620 26.918 -4.072 1.00 0.00 H new ATOM 0 HA SER A 31 4.463 27.048 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.480 26.860 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.194 27.159 -1.590 1.00 0.00 H new ATOM 0 HG SER A 31 2.964 29.131 -1.685 1.00 0.00 H new ATOM 260 N GLN A 32 3.320 24.170 -3.790 1.00 0.00 N ATOM 261 CA GLN A 32 3.560 22.730 -3.570 1.00 0.00 C ATOM 262 C GLN A 32 4.600 22.170 -4.530 1.00 0.00 C ATOM 263 O GLN A 32 4.300 21.740 -5.640 1.00 0.00 O ATOM 264 CB GLN A 32 2.240 22.000 -3.660 1.00 0.00 C ATOM 265 CG GLN A 32 2.000 21.440 -2.260 1.00 0.00 C ATOM 266 CD GLN A 32 0.520 21.380 -1.910 1.00 0.00 C ATOM 267 OE1 GLN A 32 -0.370 21.440 -2.730 1.00 0.00 O ATOM 268 NE2 GLN A 32 0.180 21.240 -0.660 1.00 0.00 N ATOM 0 H GLN A 32 2.509 24.366 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 32 3.979 22.582 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.437 22.673 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.280 21.203 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.428 20.440 -2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.520 22.059 -1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.899 21.185 0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.805 21.185 -0.403 1.00 0.00 H new ATOM 272 N ASP A 33 5.830 22.420 -4.080 1.00 0.00 N ATOM 273 CA ASP A 33 7.070 22.080 -4.790 1.00 0.00 C ATOM 274 C ASP A 33 8.370 22.480 -4.100 1.00 0.00 C ATOM 275 O ASP A 33 8.530 23.640 -3.710 1.00 0.00 O ATOM 276 CB ASP A 33 7.130 22.730 -6.160 1.00 0.00 C ATOM 277 CG ASP A 33 6.850 24.230 -6.170 1.00 0.00 C ATOM 278 OD1 ASP A 33 5.650 24.550 -6.170 1.00 0.00 O ATOM 279 OD2 ASP A 33 7.820 24.990 -6.350 1.00 0.00 O ATOM 0 H ASP A 33 5.999 22.878 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 33 7.014 20.992 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.118 22.556 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.410 22.236 -6.813 1.00 0.00 H new ATOM 281 N GLY A 34 9.340 21.610 -4.320 1.00 0.00 N ATOM 282 CA GLY A 34 10.710 21.760 -3.800 1.00 0.00 C ATOM 283 C GLY A 34 10.780 21.370 -2.320 1.00 0.00 C ATOM 284 O GLY A 34 11.500 21.970 -1.530 1.00 0.00 O ATOM 0 H GLY A 34 9.208 20.763 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.392 21.136 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.039 22.792 -3.924 1.00 0.00 H new ATOM 286 N VAL A 35 9.950 20.390 -1.990 1.00 0.00 N ATOM 287 CA VAL A 35 9.840 19.800 -0.640 1.00 0.00 C ATOM 288 C VAL A 35 9.920 18.270 -0.730 1.00 0.00 C ATOM 289 O VAL A 35 9.390 17.690 -1.670 1.00 0.00 O ATOM 290 CB VAL A 35 8.530 20.240 0.060 1.00 0.00 C ATOM 291 CG1 VAL A 35 8.530 21.750 0.330 1.00 0.00 C ATOM 292 CG2 VAL A 35 7.250 19.860 -0.690 1.00 0.00 C ATOM 0 H VAL A 35 9.313 19.964 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 35 10.673 20.163 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 35 8.518 19.686 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.599 22.032 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.372 22.005 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.619 22.288 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.383 20.207 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.254 20.326 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.201 18.777 -0.801 1.00 0.00 H new ATOM 294 N VAL A 36 10.550 17.710 0.290 1.00 0.00 N ATOM 295 CA VAL A 36 10.710 16.250 0.490 1.00 0.00 C ATOM 296 C VAL A 36 9.460 15.680 1.170 1.00 0.00 C ATOM 297 O VAL A 36 8.830 16.330 2.010 1.00 0.00 O ATOM 298 CB VAL A 36 12.020 15.950 1.250 1.00 0.00 C ATOM 299 CG1 VAL A 36 12.110 14.580 1.930 1.00 0.00 C ATOM 300 CG2 VAL A 36 13.210 16.060 0.310 1.00 0.00 C ATOM 0 H VAL A 36 10.982 18.261 1.032 1.00 0.00 H new ATOM 0 HA VAL A 36 10.800 15.747 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 36 12.028 16.697 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.074 14.485 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.309 14.484 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.011 13.795 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.128 15.846 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.098 15.344 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.259 17.069 -0.099 1.00 0.00 H new ATOM 302 N PHE A 37 9.210 14.410 0.870 1.00 0.00 N ATOM 303 CA PHE A 37 8.150 13.630 1.510 1.00 0.00 C ATOM 304 C PHE A 37 8.740 12.310 2.020 1.00 0.00 C ATOM 305 O PHE A 37 8.770 11.340 1.280 1.00 0.00 O ATOM 306 CB PHE A 37 7.060 13.370 0.460 1.00 0.00 C ATOM 307 CG PHE A 37 5.880 12.530 0.950 1.00 0.00 C ATOM 308 CD1 PHE A 37 5.110 12.930 2.060 1.00 0.00 C ATOM 309 CD2 PHE A 37 5.560 11.340 0.260 1.00 0.00 C ATOM 310 CE1 PHE A 37 4.020 12.140 2.490 1.00 0.00 C ATOM 311 CE2 PHE A 37 4.460 10.560 0.660 1.00 0.00 C ATOM 312 CZ PHE A 37 3.690 10.960 1.770 1.00 0.00 C ATOM 0 H PHE A 37 9.739 13.887 0.172 1.00 0.00 H new ATOM 0 HA PHE A 37 7.721 14.164 2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.682 14.329 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.513 12.869 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.353 13.843 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.163 11.027 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.444 12.430 3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.207 9.660 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.842 10.365 2.076 1.00 0.00 H new ATOM 314 N GLN A 38 9.130 12.220 3.290 1.00 0.00 N ATOM 315 CA GLN A 38 9.710 10.970 3.840 1.00 0.00 C ATOM 316 C GLN A 38 8.620 9.880 4.060 1.00 0.00 C ATOM 317 O GLN A 38 8.430 9.380 5.160 1.00 0.00 O ATOM 318 CB GLN A 38 10.490 11.280 5.120 1.00 0.00 C ATOM 319 CG GLN A 38 11.460 10.150 5.480 1.00 0.00 C ATOM 320 CD GLN A 38 11.060 9.310 6.700 1.00 0.00 C ATOM 321 OE1 GLN A 38 10.290 9.700 7.570 1.00 0.00 O ATOM 322 NE2 GLN A 38 11.690 8.160 6.840 1.00 0.00 N ATOM 0 H GLN A 38 9.061 12.984 3.962 1.00 0.00 H new ATOM 0 HA GLN A 38 10.408 10.556 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.045 12.209 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.792 11.437 5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.557 9.488 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.444 10.582 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.330 7.838 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.537 7.593 7.674 1.00 0.00 H new ATOM 326 N ASN A 39 7.850 9.630 3.000 1.00 0.00 N ATOM 327 CA ASN A 39 6.670 8.750 2.930 1.00 0.00 C ATOM 328 C ASN A 39 5.980 8.620 4.290 1.00 0.00 C ATOM 329 O ASN A 39 5.840 7.540 4.860 1.00 0.00 O ATOM 330 CB ASN A 39 7.050 7.370 2.390 1.00 0.00 C ATOM 331 CG ASN A 39 7.890 6.540 3.370 1.00 0.00 C ATOM 332 OD1 ASN A 39 8.950 6.950 3.830 1.00 0.00 O ATOM 333 ND2 ASN A 39 7.610 5.260 3.480 1.00 0.00 N ATOM 0 H ASN A 39 8.044 10.067 2.099 1.00 0.00 H new ATOM 0 HA ASN A 39 5.963 9.211 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.141 6.820 2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.606 7.493 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.269 4.632 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.734 4.895 3.105 1.00 0.00 H new ATOM 337 N ARG A 40 5.620 9.770 4.850 1.00 0.00 N ATOM 338 CA ARG A 40 5.070 9.800 6.230 1.00 0.00 C ATOM 339 C ARG A 40 3.820 8.910 6.380 1.00 0.00 C ATOM 340 O ARG A 40 3.590 8.300 7.410 1.00 0.00 O ATOM 341 CB ARG A 40 4.780 11.220 6.700 1.00 0.00 C ATOM 342 CG ARG A 40 6.040 12.080 6.680 1.00 0.00 C ATOM 343 CD ARG A 40 6.190 12.800 5.330 1.00 0.00 C ATOM 344 NE ARG A 40 6.030 14.250 5.540 1.00 0.00 N ATOM 345 CZ ARG A 40 6.970 15.050 6.040 1.00 0.00 C ATOM 346 NH1 ARG A 40 8.170 14.590 6.380 1.00 0.00 N ATOM 347 NH2 ARG A 40 6.710 16.330 6.240 1.00 0.00 N ATOM 0 H ARG A 40 5.690 10.681 4.396 1.00 0.00 H new ATOM 0 HA ARG A 40 5.847 9.388 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.021 11.669 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.371 11.194 7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.998 12.813 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.914 11.456 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.167 12.588 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.443 12.437 4.624 1.00 0.00 H new ATOM 0 HE ARG A 40 5.136 14.670 5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.390 13.601 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.871 15.226 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.789 16.705 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.430 16.943 6.623 1.00 0.00 H new ATOM 354 N GLU A 41 3.200 8.680 5.230 1.00 0.00 N ATOM 355 CA GLU A 41 2.090 7.730 5.090 1.00 0.00 C ATOM 356 C GLU A 41 2.470 6.240 5.080 1.00 0.00 C ATOM 357 O GLU A 41 1.580 5.410 5.190 1.00 0.00 O ATOM 358 CB GLU A 41 1.290 8.070 3.840 1.00 0.00 C ATOM 359 CG GLU A 41 0.160 9.000 4.270 1.00 0.00 C ATOM 360 CD GLU A 41 -0.600 9.410 3.030 1.00 0.00 C ATOM 361 OE1 GLU A 41 -0.020 10.250 2.300 1.00 0.00 O ATOM 362 OE2 GLU A 41 -1.630 8.770 2.760 1.00 0.00 O ATOM 0 H GLU A 41 3.450 9.148 4.359 1.00 0.00 H new ATOM 0 HA GLU A 41 1.498 7.852 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.924 8.553 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.891 7.166 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.502 8.496 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.560 9.876 4.780 1.00 0.00 H new ATOM 364 N SER A 42 3.750 5.920 4.890 1.00 0.00 N ATOM 365 CA SER A 42 4.280 4.540 4.800 1.00 0.00 C ATOM 366 C SER A 42 3.460 3.660 3.840 1.00 0.00 C ATOM 367 O SER A 42 3.260 2.460 4.010 1.00 0.00 O ATOM 368 CB SER A 42 4.360 3.960 6.220 1.00 0.00 C ATOM 369 OG SER A 42 5.030 2.700 6.240 1.00 0.00 O ATOM 0 H SER A 42 4.477 6.628 4.790 1.00 0.00 H new ATOM 0 HA SER A 42 5.281 4.561 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.884 4.661 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.354 3.843 6.622 1.00 0.00 H new ATOM 0 HG SER A 42 4.610 2.096 5.593 1.00 0.00 H new ATOM 372 N VAL A 43 2.990 4.300 2.780 1.00 0.00 N ATOM 373 CA VAL A 43 2.150 3.660 1.740 1.00 0.00 C ATOM 374 C VAL A 43 2.930 3.540 0.410 1.00 0.00 C ATOM 375 O VAL A 43 2.570 2.830 -0.520 1.00 0.00 O ATOM 376 CB VAL A 43 0.820 4.430 1.590 1.00 0.00 C ATOM 377 CG1 VAL A 43 -0.070 3.890 0.460 1.00 0.00 C ATOM 378 CG2 VAL A 43 -0.030 4.320 2.850 1.00 0.00 C ATOM 0 H VAL A 43 3.174 5.287 2.602 1.00 0.00 H new ATOM 0 HA VAL A 43 1.900 2.644 2.044 1.00 0.00 H new ATOM 0 HB VAL A 43 1.126 5.455 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.988 4.475 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.461 3.965 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.315 2.846 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.959 4.873 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.257 3.272 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.517 4.736 3.696 1.00 0.00 H new ATOM 380 N LEU A 44 4.030 4.270 0.350 1.00 0.00 N ATOM 381 CA LEU A 44 4.850 4.390 -0.850 1.00 0.00 C ATOM 382 C LEU A 44 6.070 3.450 -0.700 1.00 0.00 C ATOM 383 O LEU A 44 6.500 3.260 0.450 1.00 0.00 O ATOM 384 CB LEU A 44 5.280 5.860 -0.890 1.00 0.00 C ATOM 385 CG LEU A 44 4.240 6.910 -1.310 1.00 0.00 C ATOM 386 CD1 LEU A 44 3.950 6.850 -2.800 1.00 0.00 C ATOM 387 CD2 LEU A 44 2.920 6.830 -0.580 1.00 0.00 C ATOM 0 H LEU A 44 4.386 4.805 1.142 1.00 0.00 H new ATOM 0 HA LEU A 44 4.330 4.113 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.642 6.128 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.128 5.940 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 44 4.712 7.854 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.210 7.608 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.868 7.036 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.563 5.864 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.254 7.611 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.466 5.855 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.086 6.966 0.489 1.00 0.00 H new ATOM 425 N TYR A 49 15.760 8.270 2.950 1.00 0.00 N ATOM 426 CA TYR A 49 15.380 9.650 3.290 1.00 0.00 C ATOM 427 C TYR A 49 15.670 10.580 2.110 1.00 0.00 C ATOM 428 O TYR A 49 16.590 10.330 1.330 1.00 0.00 O ATOM 429 CB TYR A 49 16.190 10.080 4.510 1.00 0.00 C ATOM 430 CG TYR A 49 15.780 11.460 5.050 1.00 0.00 C ATOM 431 CD1 TYR A 49 16.400 12.620 4.520 1.00 0.00 C ATOM 432 CD2 TYR A 49 14.770 11.530 6.030 1.00 0.00 C ATOM 433 CE1 TYR A 49 15.970 13.880 4.980 1.00 0.00 C ATOM 434 CE2 TYR A 49 14.360 12.790 6.500 1.00 0.00 C ATOM 435 CZ TYR A 49 14.970 13.950 5.960 1.00 0.00 C ATOM 436 OH TYR A 49 14.570 15.160 6.420 1.00 0.00 O ATOM 0 HA TYR A 49 14.314 9.703 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.070 9.337 5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.248 10.098 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 49 17.183 12.539 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.317 10.628 6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.407 14.784 4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.595 12.873 7.258 1.00 0.00 H new ATOM 0 HH TYR A 49 13.870 15.038 7.095 1.00 0.00 H new ATOM 439 N GLY A 50 14.790 11.560 1.940 1.00 0.00 N ATOM 440 CA GLY A 50 14.890 12.560 0.850 1.00 0.00 C ATOM 441 C GLY A 50 14.730 11.940 -0.550 1.00 0.00 C ATOM 442 O GLY A 50 14.790 12.650 -1.550 1.00 0.00 O ATOM 0 H GLY A 50 13.982 11.695 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.125 13.323 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.856 13.061 0.911 1.00 0.00 H new ATOM 444 N TYR A 51 14.290 10.690 -0.570 1.00 0.00 N ATOM 445 CA TYR A 51 14.090 9.900 -1.790 1.00 0.00 C ATOM 446 C TYR A 51 12.710 10.130 -2.420 1.00 0.00 C ATOM 447 O TYR A 51 12.310 9.390 -3.320 1.00 0.00 O ATOM 448 CB TYR A 51 14.240 8.430 -1.400 1.00 0.00 C ATOM 449 CG TYR A 51 15.210 7.700 -2.340 1.00 0.00 C ATOM 450 CD1 TYR A 51 16.590 7.950 -2.200 1.00 0.00 C ATOM 451 CD2 TYR A 51 14.700 6.770 -3.280 1.00 0.00 C ATOM 452 CE1 TYR A 51 17.500 7.250 -3.020 1.00 0.00 C ATOM 453 CE2 TYR A 51 15.610 6.080 -4.100 1.00 0.00 C ATOM 454 CZ TYR A 51 16.990 6.340 -3.970 1.00 0.00 C ATOM 455 OH TYR A 51 17.860 5.820 -4.880 1.00 0.00 O ATOM 0 H TYR A 51 14.054 10.178 0.280 1.00 0.00 H new ATOM 0 HA TYR A 51 14.824 10.202 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.601 8.359 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.266 7.942 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.946 8.667 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 51 13.638 6.595 -3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 51 18.564 7.407 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.256 5.359 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 51 17.382 5.207 -5.476 1.00 0.00 H new ATOM 458 N TYR A 52 12.040 11.170 -1.950 1.00 0.00 N ATOM 459 CA TYR A 52 10.660 11.510 -2.290 1.00 0.00 C ATOM 460 C TYR A 52 10.460 13.010 -2.180 1.00 0.00 C ATOM 461 O TYR A 52 10.950 13.630 -1.230 1.00 0.00 O ATOM 462 CB TYR A 52 9.710 10.880 -1.290 1.00 0.00 C ATOM 463 CG TYR A 52 9.260 9.460 -1.560 1.00 0.00 C ATOM 464 CD1 TYR A 52 10.180 8.400 -1.520 1.00 0.00 C ATOM 465 CD2 TYR A 52 7.930 9.270 -1.950 1.00 0.00 C ATOM 466 CE1 TYR A 52 9.780 7.130 -1.960 1.00 0.00 C ATOM 467 CE2 TYR A 52 7.520 7.990 -2.340 1.00 0.00 C ATOM 468 CZ TYR A 52 8.430 6.920 -2.330 1.00 0.00 C ATOM 469 OH TYR A 52 7.930 5.660 -2.300 1.00 0.00 O ATOM 0 H TYR A 52 12.457 11.830 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 52 10.465 11.153 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.188 10.902 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.822 11.509 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.184 8.561 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.233 10.095 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.494 6.321 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.499 7.824 -2.650 1.00 0.00 H new ATOM 0 HH TYR A 52 7.696 5.379 -3.209 1.00 0.00 H new ATOM 472 N HIS A 53 9.570 13.490 -3.030 1.00 0.00 N ATOM 473 CA HIS A 53 9.190 14.910 -3.070 1.00 0.00 C ATOM 474 C HIS A 53 7.710 15.080 -3.420 1.00 0.00 C ATOM 475 O HIS A 53 7.060 14.160 -3.920 1.00 0.00 O ATOM 476 CB HIS A 53 10.060 15.660 -4.070 1.00 0.00 C ATOM 477 CG HIS A 53 11.560 15.690 -3.740 1.00 0.00 C ATOM 478 ND1 HIS A 53 12.470 14.840 -4.210 1.00 0.00 N ATOM 479 CD2 HIS A 53 12.170 16.560 -2.950 1.00 0.00 C ATOM 480 CE1 HIS A 53 13.640 15.170 -3.690 1.00 0.00 C ATOM 481 NE2 HIS A 53 13.450 16.230 -2.920 1.00 0.00 N ATOM 0 H HIS A 53 9.084 12.914 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 53 9.349 15.329 -2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.930 15.206 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.700 16.686 -4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.708 17.385 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.580 14.666 -3.862 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.174 16.714 -2.389 1.00 0.00 H new ATOM 485 N GLU A 54 7.180 16.250 -3.080 1.00 0.00 N ATOM 486 CA GLU A 54 5.750 16.570 -3.300 1.00 0.00 C ATOM 487 C GLU A 54 5.610 17.740 -4.270 1.00 0.00 C ATOM 488 O GLU A 54 6.360 18.720 -4.180 1.00 0.00 O ATOM 489 CB GLU A 54 5.060 17.010 -2.020 1.00 0.00 C ATOM 490 CG GLU A 54 5.020 15.890 -0.980 1.00 0.00 C ATOM 491 CD GLU A 54 5.560 16.390 0.360 1.00 0.00 C ATOM 492 OE1 GLU A 54 6.700 16.910 0.340 1.00 0.00 O ATOM 493 OE2 GLU A 54 4.860 16.220 1.380 1.00 0.00 O ATOM 0 H GLU A 54 7.712 17.005 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 54 5.295 15.658 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.581 17.873 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.043 17.331 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.997 15.535 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.613 15.043 -1.325 1.00 0.00 H new ATOM 495 N TYR A 55 4.600 17.610 -5.130 1.00 0.00 N ATOM 496 CA TYR A 55 4.360 18.540 -6.240 1.00 0.00 C ATOM 497 C TYR A 55 2.900 18.480 -6.700 1.00 0.00 C ATOM 498 O TYR A 55 2.570 17.950 -7.770 1.00 0.00 O ATOM 499 CB TYR A 55 5.290 18.190 -7.410 1.00 0.00 C ATOM 500 CG TYR A 55 6.770 18.130 -7.070 1.00 0.00 C ATOM 501 CD1 TYR A 55 7.450 19.340 -6.880 1.00 0.00 C ATOM 502 CD2 TYR A 55 7.440 16.890 -7.010 1.00 0.00 C ATOM 503 CE1 TYR A 55 8.830 19.340 -6.640 1.00 0.00 C ATOM 504 CE2 TYR A 55 8.830 16.900 -6.800 1.00 0.00 C ATOM 505 CZ TYR A 55 9.510 18.120 -6.610 1.00 0.00 C ATOM 506 OH TYR A 55 10.830 18.130 -6.310 1.00 0.00 O ATOM 0 H TYR A 55 3.919 16.852 -5.078 1.00 0.00 H new ATOM 0 HA TYR A 55 4.567 19.553 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.988 17.224 -7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.145 18.927 -8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.909 20.274 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.901 15.961 -7.122 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.360 20.268 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.379 15.970 -6.784 1.00 0.00 H new ATOM 0 HH TYR A 55 11.176 17.213 -6.324 1.00 0.00 H new ATOM 509 N THR A 56 1.980 18.940 -5.850 1.00 0.00 N ATOM 510 CA THR A 56 0.540 18.930 -6.170 1.00 0.00 C ATOM 511 C THR A 56 0.250 19.350 -7.600 1.00 0.00 C ATOM 512 O THR A 56 0.580 20.440 -8.070 1.00 0.00 O ATOM 513 CB THR A 56 -0.270 19.810 -5.230 1.00 0.00 C ATOM 514 OG1 THR A 56 -0.150 19.210 -3.940 1.00 0.00 O ATOM 515 CG2 THR A 56 -1.750 20.060 -5.560 1.00 0.00 C ATOM 0 H THR A 56 2.201 19.326 -4.932 1.00 0.00 H new ATOM 0 HA THR A 56 0.235 17.891 -6.041 1.00 0.00 H new ATOM 0 HB THR A 56 0.146 20.814 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.542 19.803 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.189 20.704 -4.798 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.829 20.544 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.283 19.110 -5.583 1.00 0.00 H new ATOM 518 N VAL A 57 -0.350 18.370 -8.250 1.00 0.00 N ATOM 519 CA VAL A 57 -0.750 18.560 -9.640 1.00 0.00 C ATOM 520 C VAL A 57 -2.040 19.370 -9.670 1.00 0.00 C ATOM 521 O VAL A 57 -2.980 19.030 -8.960 1.00 0.00 O ATOM 522 CB VAL A 57 -0.780 17.200 -10.330 1.00 0.00 C ATOM 523 CG1 VAL A 57 -2.070 16.390 -10.230 1.00 0.00 C ATOM 524 CG2 VAL A 57 -0.470 17.470 -11.780 1.00 0.00 C ATOM 0 H VAL A 57 -0.569 17.455 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.038 19.149 -10.218 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.057 16.570 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.950 15.448 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.292 16.187 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.890 16.956 -10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.476 16.531 -12.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.223 18.141 -12.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.513 17.934 -11.862 1.00 0.00 H new ATOM 526 N ILE A 58 -1.940 20.570 -10.260 1.00 0.00 N ATOM 527 CA ILE A 58 -3.140 21.420 -10.470 1.00 0.00 C ATOM 528 C ILE A 58 -4.310 20.520 -10.910 1.00 0.00 C ATOM 529 O ILE A 58 -4.170 19.590 -11.700 1.00 0.00 O ATOM 530 CB ILE A 58 -2.910 22.620 -11.430 1.00 0.00 C ATOM 531 CG1 ILE A 58 -2.210 23.770 -10.710 1.00 0.00 C ATOM 532 CG2 ILE A 58 -4.130 23.010 -12.300 1.00 0.00 C ATOM 533 CD1 ILE A 58 -2.190 25.120 -11.430 1.00 0.00 C ATOM 0 H ILE A 58 -1.066 20.974 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.384 21.898 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.215 22.281 -12.198 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.690 23.908 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.180 23.473 -10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.869 23.857 -12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.417 22.164 -12.924 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.964 23.284 -11.655 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.665 25.852 -10.816 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.678 25.015 -12.387 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.213 25.457 -11.601 1.00 0.00 H new ATOM 535 N THR A 59 -5.480 20.980 -10.490 1.00 0.00 N ATOM 536 CA THR A 59 -6.740 20.300 -10.780 1.00 0.00 C ATOM 537 C THR A 59 -7.820 21.260 -11.280 1.00 0.00 C ATOM 538 O THR A 59 -7.870 22.410 -10.820 1.00 0.00 O ATOM 539 CB THR A 59 -7.110 19.490 -9.540 1.00 0.00 C ATOM 540 OG1 THR A 59 -6.120 18.480 -9.570 1.00 0.00 O ATOM 541 CG2 THR A 59 -8.500 18.830 -9.560 1.00 0.00 C ATOM 0 H THR A 59 -5.585 21.832 -9.940 1.00 0.00 H new ATOM 0 HA THR A 59 -6.634 19.611 -11.618 1.00 0.00 H new ATOM 0 HB THR A 59 -7.151 20.128 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.305 18.808 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.656 18.282 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.266 19.599 -9.661 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.564 18.142 -10.403 1.00 0.00 H new ATOM 544 N PRO A 60 -8.590 20.830 -12.290 1.00 0.00 N ATOM 545 CA PRO A 60 -9.720 21.620 -12.800 1.00 0.00 C ATOM 546 C PRO A 60 -10.850 21.650 -11.760 1.00 0.00 C ATOM 547 O PRO A 60 -11.000 20.720 -10.970 1.00 0.00 O ATOM 548 CB PRO A 60 -10.140 20.920 -14.090 1.00 0.00 C ATOM 549 CG PRO A 60 -9.720 19.470 -13.880 1.00 0.00 C ATOM 550 CD PRO A 60 -8.430 19.570 -13.060 1.00 0.00 C ATOM 0 HA PRO A 60 -9.462 22.662 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.214 21.004 -14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.647 21.356 -14.959 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.487 18.906 -13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.550 18.963 -14.830 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.309 18.711 -12.400 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.550 19.604 -13.703 1.00 0.00 H new ATOM 551 N GLY A 61 -11.500 22.810 -11.690 1.00 0.00 N ATOM 552 CA GLY A 61 -12.580 23.100 -10.720 1.00 0.00 C ATOM 553 C GLY A 61 -12.170 22.830 -9.260 1.00 0.00 C ATOM 554 O GLY A 61 -13.010 22.530 -8.410 1.00 0.00 O ATOM 0 H GLY A 61 -11.296 23.593 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.879 24.143 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.452 22.493 -10.964 1.00 0.00 H new ATOM 556 N ALA A 62 -10.880 23.000 -8.990 1.00 0.00 N ATOM 557 CA ALA A 62 -10.310 22.820 -7.660 1.00 0.00 C ATOM 558 C ALA A 62 -10.160 24.210 -7.060 1.00 0.00 C ATOM 559 O ALA A 62 -9.290 24.990 -7.460 1.00 0.00 O ATOM 560 CB ALA A 62 -8.950 22.120 -7.740 1.00 0.00 C ATOM 0 H ALA A 62 -10.194 23.269 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.954 22.193 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.545 21.997 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.071 21.142 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.265 22.723 -8.336 1.00 0.00 H new ATOM 562 N ARG A 63 -11.190 24.580 -6.300 1.00 0.00 N ATOM 563 CA ARG A 63 -11.240 25.860 -5.550 1.00 0.00 C ATOM 564 C ARG A 63 -9.890 26.210 -4.900 1.00 0.00 C ATOM 565 O ARG A 63 -9.560 27.380 -4.720 1.00 0.00 O ATOM 566 CB ARG A 63 -12.270 25.800 -4.420 1.00 0.00 C ATOM 567 CG ARG A 63 -13.500 26.670 -4.700 1.00 0.00 C ATOM 568 CD ARG A 63 -13.730 27.570 -3.480 1.00 0.00 C ATOM 569 NE ARG A 63 -15.070 28.170 -3.510 1.00 0.00 N ATOM 570 CZ ARG A 63 -15.540 29.090 -2.660 1.00 0.00 C ATOM 571 NH1 ARG A 63 -14.780 29.660 -1.740 1.00 0.00 N ATOM 572 NH2 ARG A 63 -16.800 29.490 -2.760 1.00 0.00 N ATOM 0 H ARG A 63 -12.024 24.005 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.507 26.617 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.585 24.767 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.803 26.125 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.345 27.273 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.375 26.046 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.610 26.987 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.976 28.357 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.701 27.856 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.796 29.402 -1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.177 30.358 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.404 29.097 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.165 30.191 -2.115 1.00 0.00 H new ATOM 579 N THR A 64 -9.200 25.170 -4.460 1.00 0.00 N ATOM 580 CA THR A 64 -7.890 25.270 -3.800 1.00 0.00 C ATOM 581 C THR A 64 -6.890 24.340 -4.520 1.00 0.00 C ATOM 582 O THR A 64 -7.150 23.890 -5.640 1.00 0.00 O ATOM 583 CB THR A 64 -8.040 24.910 -2.300 1.00 0.00 C ATOM 584 OG1 THR A 64 -8.240 23.500 -2.140 1.00 0.00 O ATOM 585 CG2 THR A 64 -9.170 25.690 -1.600 1.00 0.00 C ATOM 0 H THR A 64 -9.534 24.210 -4.549 1.00 0.00 H new ATOM 0 HA THR A 64 -7.506 26.289 -3.859 1.00 0.00 H new ATOM 0 HB THR A 64 -7.108 25.205 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.331 23.289 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.223 25.392 -0.553 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.968 26.759 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.120 25.471 -2.088 1.00 0.00 H new ATOM 588 N ARG A 65 -5.850 23.920 -3.800 1.00 0.00 N ATOM 589 CA ARG A 65 -4.910 22.880 -4.250 1.00 0.00 C ATOM 590 C ARG A 65 -5.570 21.570 -4.690 1.00 0.00 C ATOM 591 O ARG A 65 -5.060 20.860 -5.550 1.00 0.00 O ATOM 592 CB ARG A 65 -3.900 22.630 -3.130 1.00 0.00 C ATOM 593 CG ARG A 65 -2.710 23.540 -3.440 1.00 0.00 C ATOM 594 CD ARG A 65 -1.820 23.800 -2.230 1.00 0.00 C ATOM 595 NE ARG A 65 -2.370 24.880 -1.420 1.00 0.00 N ATOM 596 CZ ARG A 65 -1.780 25.410 -0.360 1.00 0.00 C ATOM 597 NH1 ARG A 65 -0.630 24.930 0.130 1.00 0.00 N ATOM 598 NH2 ARG A 65 -2.350 26.440 0.230 1.00 0.00 N ATOM 0 H ARG A 65 -5.629 24.293 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.421 23.254 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.329 22.864 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.597 21.583 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.112 23.088 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.079 24.492 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.736 22.893 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.814 24.059 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.279 25.256 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.180 24.130 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.204 25.364 0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.228 26.813 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.914 26.865 1.048 1.00 0.00 H new ATOM 605 N GLY A 66 -6.780 21.370 -4.150 1.00 0.00 N ATOM 606 CA GLY A 66 -7.580 20.170 -4.360 1.00 0.00 C ATOM 607 C GLY A 66 -6.850 18.990 -3.720 1.00 0.00 C ATOM 608 O GLY A 66 -5.650 18.990 -3.470 1.00 0.00 O ATOM 0 H GLY A 66 -7.233 22.055 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.569 20.290 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.727 19.993 -5.425 1.00 0.00 H new ATOM 610 N THR A 67 -7.660 17.990 -3.410 1.00 0.00 N ATOM 611 CA THR A 67 -7.180 16.690 -2.910 1.00 0.00 C ATOM 612 C THR A 67 -6.020 16.120 -3.760 1.00 0.00 C ATOM 613 O THR A 67 -5.150 15.380 -3.300 1.00 0.00 O ATOM 614 CB THR A 67 -8.360 15.710 -2.880 1.00 0.00 C ATOM 615 OG1 THR A 67 -8.870 15.540 -4.200 1.00 0.00 O ATOM 616 CG2 THR A 67 -9.440 16.130 -1.880 1.00 0.00 C ATOM 0 H THR A 67 -8.675 18.047 -3.495 1.00 0.00 H new ATOM 0 HA THR A 67 -6.781 16.834 -1.906 1.00 0.00 H new ATOM 0 HB THR A 67 -8.002 14.744 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.623 14.913 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.253 15.404 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.012 16.172 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.825 17.113 -2.152 1.00 0.00 H new ATOM 619 N ARG A 68 -6.020 16.470 -5.040 1.00 0.00 N ATOM 620 CA ARG A 68 -4.930 16.140 -5.970 1.00 0.00 C ATOM 621 C ARG A 68 -3.540 16.450 -5.390 1.00 0.00 C ATOM 622 O ARG A 68 -3.330 17.430 -4.690 1.00 0.00 O ATOM 623 CB ARG A 68 -5.070 16.950 -7.240 1.00 0.00 C ATOM 624 CG ARG A 68 -4.940 15.990 -8.420 1.00 0.00 C ATOM 625 CD ARG A 68 -6.270 15.320 -8.740 1.00 0.00 C ATOM 626 NE ARG A 68 -6.770 15.800 -10.040 1.00 0.00 N ATOM 627 CZ ARG A 68 -7.920 15.440 -10.600 1.00 0.00 C ATOM 628 NH1 ARG A 68 -8.720 14.560 -10.030 1.00 0.00 N ATOM 629 NH2 ARG A 68 -8.300 15.970 -11.760 1.00 0.00 N ATOM 0 H ARG A 68 -6.780 16.996 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.008 15.069 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.034 17.458 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.301 17.721 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.584 16.533 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.193 15.229 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.146 14.237 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.996 15.539 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.186 16.462 -10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.461 14.138 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.597 14.301 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.707 16.657 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.184 15.689 -12.184 1.00 0.00 H new ATOM 636 N ARG A 69 -2.660 15.510 -5.680 1.00 0.00 N ATOM 637 CA ARG A 69 -1.270 15.520 -5.190 1.00 0.00 C ATOM 638 C ARG A 69 -0.450 14.470 -5.940 1.00 0.00 C ATOM 639 O ARG A 69 -0.930 13.380 -6.240 1.00 0.00 O ATOM 640 CB ARG A 69 -1.280 15.210 -3.690 1.00 0.00 C ATOM 641 CG ARG A 69 -0.630 16.270 -2.820 1.00 0.00 C ATOM 642 CD ARG A 69 0.870 16.370 -3.110 1.00 0.00 C ATOM 643 NE ARG A 69 1.590 16.350 -1.830 1.00 0.00 N ATOM 644 CZ ARG A 69 1.710 17.360 -0.980 1.00 0.00 C ATOM 645 NH1 ARG A 69 1.160 18.540 -1.190 1.00 0.00 N ATOM 646 NH2 ARG A 69 2.350 17.190 0.160 1.00 0.00 N ATOM 0 H ARG A 69 -2.879 14.705 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.819 16.498 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.313 15.077 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.770 14.261 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.104 17.235 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.786 16.029 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.191 15.540 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.091 17.287 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 69 2.042 15.473 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.615 18.705 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.280 19.288 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.753 16.281 0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.442 17.967 0.814 1.00 0.00 H new ATOM 653 N ILE A 70 0.770 14.900 -6.250 1.00 0.00 N ATOM 654 CA ILE A 70 1.800 14.050 -6.880 1.00 0.00 C ATOM 655 C ILE A 70 2.970 13.900 -5.910 1.00 0.00 C ATOM 656 O ILE A 70 3.390 14.870 -5.270 1.00 0.00 O ATOM 657 CB ILE A 70 2.200 14.570 -8.270 1.00 0.00 C ATOM 658 CG1 ILE A 70 1.210 13.980 -9.280 1.00 0.00 C ATOM 659 CG2 ILE A 70 3.670 14.290 -8.670 1.00 0.00 C ATOM 660 CD1 ILE A 70 1.420 14.310 -10.760 1.00 0.00 C ATOM 0 H ILE A 70 1.083 15.855 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 70 1.399 13.055 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 70 2.149 15.659 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.228 12.895 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.210 14.311 -9.001 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.859 14.693 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.339 14.765 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.847 13.215 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.646 13.825 -11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.365 15.389 -10.904 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.399 13.951 -11.077 1.00 0.00 H new ATOM 662 N ILE A 71 3.530 12.710 -5.980 1.00 0.00 N ATOM 663 CA ILE A 71 4.680 12.350 -5.140 1.00 0.00 C ATOM 664 C ILE A 71 5.740 11.720 -6.060 1.00 0.00 C ATOM 665 O ILE A 71 5.450 10.790 -6.800 1.00 0.00 O ATOM 666 CB ILE A 71 4.280 11.360 -4.040 1.00 0.00 C ATOM 667 CG1 ILE A 71 2.940 11.640 -3.340 1.00 0.00 C ATOM 668 CG2 ILE A 71 5.440 11.290 -3.040 1.00 0.00 C ATOM 669 CD1 ILE A 71 2.780 13.010 -2.650 1.00 0.00 C ATOM 0 H ILE A 71 3.216 11.968 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 71 5.069 13.239 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 71 4.100 10.398 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.145 11.539 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.781 10.864 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.190 10.593 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.340 10.949 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.616 12.279 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.791 13.076 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.541 13.119 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.895 13.804 -3.387 1.00 0.00 H new ATOM 671 N THR A 72 6.920 12.310 -6.090 1.00 0.00 N ATOM 672 CA THR A 72 8.030 11.800 -6.910 1.00 0.00 C ATOM 673 C THR A 72 9.070 11.080 -6.050 1.00 0.00 C ATOM 674 O THR A 72 9.030 11.180 -4.830 1.00 0.00 O ATOM 675 CB THR A 72 8.690 12.950 -7.680 1.00 0.00 C ATOM 676 OG1 THR A 72 8.950 14.000 -6.750 1.00 0.00 O ATOM 677 CG2 THR A 72 7.800 13.400 -8.840 1.00 0.00 C ATOM 0 H THR A 72 7.147 13.149 -5.556 1.00 0.00 H new ATOM 0 HA THR A 72 7.621 11.081 -7.620 1.00 0.00 H new ATOM 0 HB THR A 72 9.631 12.632 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.412 14.785 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.285 14.217 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.640 12.564 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.840 13.740 -8.451 1.00 0.00 H new ATOM 680 N GLY A 73 9.910 10.300 -6.730 1.00 0.00 N ATOM 681 CA GLY A 73 11.020 9.540 -6.120 1.00 0.00 C ATOM 682 C GLY A 73 12.370 10.160 -6.500 1.00 0.00 C ATOM 683 O GLY A 73 12.450 11.050 -7.350 1.00 0.00 O ATOM 0 H GLY A 73 9.844 10.171 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.910 9.532 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.984 8.502 -6.452 1.00 0.00 H new ATOM 685 N GLU A 74 13.430 9.580 -5.960 1.00 0.00 N ATOM 686 CA GLU A 74 14.810 9.990 -6.300 1.00 0.00 C ATOM 687 C GLU A 74 15.260 9.500 -7.690 1.00 0.00 C ATOM 688 O GLU A 74 16.290 9.900 -8.220 1.00 0.00 O ATOM 689 CB GLU A 74 15.800 9.480 -5.260 1.00 0.00 C ATOM 690 CG GLU A 74 17.140 10.210 -5.240 1.00 0.00 C ATOM 691 CD GLU A 74 17.300 11.010 -3.940 1.00 0.00 C ATOM 692 OE1 GLU A 74 16.610 12.040 -3.830 1.00 0.00 O ATOM 693 OE2 GLU A 74 18.060 10.530 -3.070 1.00 0.00 O ATOM 0 H GLU A 74 13.375 8.821 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 74 14.800 11.080 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.343 9.561 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.982 8.421 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.954 9.491 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.208 10.881 -6.097 1.00 0.00 H new ATOM 695 N ALA A 75 14.490 8.550 -8.220 1.00 0.00 N ATOM 696 CA ALA A 75 14.690 8.020 -9.570 1.00 0.00 C ATOM 697 C ALA A 75 13.490 8.450 -10.410 1.00 0.00 C ATOM 698 O ALA A 75 12.330 8.360 -9.980 1.00 0.00 O ATOM 699 CB ALA A 75 14.810 6.500 -9.500 1.00 0.00 C ATOM 0 H ALA A 75 13.707 8.124 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 75 15.605 8.402 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.959 6.100 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.659 6.231 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.897 6.082 -9.075 1.00 0.00 H new ATOM 701 N THR A 76 13.810 9.020 -11.570 1.00 0.00 N ATOM 702 CA THR A 76 12.790 9.390 -12.580 1.00 0.00 C ATOM 703 C THR A 76 11.940 8.140 -12.880 1.00 0.00 C ATOM 704 O THR A 76 12.400 7.010 -12.730 1.00 0.00 O ATOM 705 CB THR A 76 13.500 9.970 -13.820 1.00 0.00 C ATOM 706 OG1 THR A 76 14.060 11.220 -13.420 1.00 0.00 O ATOM 707 CG2 THR A 76 12.610 10.170 -15.060 1.00 0.00 C ATOM 0 H THR A 76 14.767 9.241 -11.845 1.00 0.00 H new ATOM 0 HA THR A 76 12.114 10.166 -12.220 1.00 0.00 H new ATOM 0 HB THR A 76 14.246 9.243 -14.142 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.526 11.628 -14.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.207 10.582 -15.874 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.192 9.211 -15.366 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.800 10.859 -14.819 1.00 0.00 H new ATOM 710 N GLN A 77 10.680 8.420 -13.220 1.00 0.00 N ATOM 711 CA GLN A 77 9.620 7.440 -13.570 1.00 0.00 C ATOM 712 C GLN A 77 8.980 6.830 -12.310 1.00 0.00 C ATOM 713 O GLN A 77 8.500 5.690 -12.280 1.00 0.00 O ATOM 714 CB GLN A 77 10.070 6.320 -14.540 1.00 0.00 C ATOM 715 CG GLN A 77 11.110 6.780 -15.570 1.00 0.00 C ATOM 716 CD GLN A 77 10.840 6.350 -17.000 1.00 0.00 C ATOM 717 OE1 GLN A 77 10.690 5.190 -17.340 1.00 0.00 O ATOM 718 NE2 GLN A 77 10.810 7.340 -17.850 1.00 0.00 N ATOM 0 H GLN A 77 10.343 9.382 -13.264 1.00 0.00 H new ATOM 0 HA GLN A 77 8.875 8.022 -14.112 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.485 5.495 -13.961 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.197 5.934 -15.066 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.170 7.868 -15.540 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.086 6.398 -15.271 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.940 8.297 -17.523 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.656 7.156 -18.841 1.00 0.00 H new ATOM 722 N GLU A 78 8.920 7.660 -11.270 1.00 0.00 N ATOM 723 CA GLU A 78 8.340 7.330 -9.960 1.00 0.00 C ATOM 724 C GLU A 78 7.520 8.480 -9.370 1.00 0.00 C ATOM 725 O GLU A 78 7.690 8.930 -8.240 1.00 0.00 O ATOM 726 CB GLU A 78 9.400 6.860 -8.970 1.00 0.00 C ATOM 727 CG GLU A 78 9.640 5.360 -9.100 1.00 0.00 C ATOM 728 CD GLU A 78 10.140 4.760 -7.790 1.00 0.00 C ATOM 729 OE1 GLU A 78 11.000 5.400 -7.140 1.00 0.00 O ATOM 730 OE2 GLU A 78 9.660 3.650 -7.470 1.00 0.00 O ATOM 0 H GLU A 78 9.284 8.612 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 78 7.653 6.503 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.332 7.398 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.084 7.095 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.715 4.867 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.369 5.174 -9.889 1.00 0.00 H new ATOM 732 N ASP A 79 6.610 8.960 -10.200 1.00 0.00 N ATOM 733 CA ASP A 79 5.700 10.060 -9.870 1.00 0.00 C ATOM 734 C ASP A 79 4.310 9.490 -9.580 1.00 0.00 C ATOM 735 O ASP A 79 3.560 9.220 -10.500 1.00 0.00 O ATOM 736 CB ASP A 79 5.660 11.140 -10.960 1.00 0.00 C ATOM 737 CG ASP A 79 5.970 10.700 -12.390 1.00 0.00 C ATOM 738 OD1 ASP A 79 5.690 9.530 -12.750 1.00 0.00 O ATOM 739 OD2 ASP A 79 6.630 11.490 -13.090 1.00 0.00 O ATOM 0 H ASP A 79 6.475 8.594 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 79 6.075 10.562 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.668 11.591 -10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.368 11.923 -10.686 1.00 0.00 H new ATOM 741 N TYR A 80 4.150 9.060 -8.340 1.00 0.00 N ATOM 742 CA TYR A 80 2.890 8.570 -7.750 1.00 0.00 C ATOM 743 C TYR A 80 1.790 9.620 -7.880 1.00 0.00 C ATOM 744 O TYR A 80 2.040 10.800 -8.170 1.00 0.00 O ATOM 745 CB TYR A 80 3.110 8.280 -6.260 1.00 0.00 C ATOM 746 CG TYR A 80 4.350 7.440 -5.990 1.00 0.00 C ATOM 747 CD1 TYR A 80 4.230 6.040 -6.000 1.00 0.00 C ATOM 748 CD2 TYR A 80 5.580 8.080 -5.700 1.00 0.00 C ATOM 749 CE1 TYR A 80 5.370 5.270 -5.690 1.00 0.00 C ATOM 750 CE2 TYR A 80 6.710 7.310 -5.430 1.00 0.00 C ATOM 751 CZ TYR A 80 6.590 5.910 -5.410 1.00 0.00 C ATOM 752 OH TYR A 80 7.730 5.160 -5.370 1.00 0.00 O ATOM 0 H TYR A 80 4.924 9.037 -7.676 1.00 0.00 H new ATOM 0 HA TYR A 80 2.589 7.666 -8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.194 9.224 -5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.236 7.763 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.289 5.566 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.642 9.158 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.306 4.192 -5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.663 7.782 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 80 8.495 5.738 -5.166 1.00 0.00 H new ATOM 755 N TYR A 81 0.590 9.200 -7.490 1.00 0.00 N ATOM 756 CA TYR A 81 -0.610 10.030 -7.610 1.00 0.00 C ATOM 757 C TYR A 81 -1.690 9.550 -6.640 1.00 0.00 C ATOM 758 O TYR A 81 -2.150 8.410 -6.710 1.00 0.00 O ATOM 759 CB TYR A 81 -1.170 9.910 -9.020 1.00 0.00 C ATOM 760 CG TYR A 81 -2.070 11.070 -9.400 1.00 0.00 C ATOM 761 CD1 TYR A 81 -3.410 11.090 -8.960 1.00 0.00 C ATOM 762 CD2 TYR A 81 -1.560 12.030 -10.300 1.00 0.00 C ATOM 763 CE1 TYR A 81 -4.270 12.090 -9.450 1.00 0.00 C ATOM 764 CE2 TYR A 81 -2.420 13.030 -10.790 1.00 0.00 C ATOM 765 CZ TYR A 81 -3.770 13.030 -10.370 1.00 0.00 C ATOM 766 OH TYR A 81 -4.640 13.870 -10.990 1.00 0.00 O ATOM 0 H TYR A 81 0.420 8.280 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.337 11.061 -7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.344 9.850 -9.729 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.731 8.979 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.769 10.351 -8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.525 11.998 -10.608 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.299 12.135 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.056 13.783 -11.474 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.147 14.462 -11.596 1.00 0.00 H new ATOM 769 N THR A 82 -2.150 10.520 -5.870 1.00 0.00 N ATOM 770 CA THR A 82 -3.290 10.330 -4.960 1.00 0.00 C ATOM 771 C THR A 82 -4.630 10.690 -5.610 1.00 0.00 C ATOM 772 O THR A 82 -5.420 9.820 -5.980 1.00 0.00 O ATOM 773 CB THR A 82 -3.100 10.930 -3.540 1.00 0.00 C ATOM 774 OG1 THR A 82 -4.340 11.360 -2.950 1.00 0.00 O ATOM 775 CG2 THR A 82 -2.010 11.980 -3.400 1.00 0.00 C ATOM 0 H THR A 82 -1.754 11.460 -5.850 1.00 0.00 H new ATOM 0 HA THR A 82 -3.323 9.256 -4.776 1.00 0.00 H new ATOM 0 HB THR A 82 -2.726 10.085 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.949 10.596 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.969 12.326 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.049 11.546 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.229 12.822 -4.057 1.00 0.00 H new ATOM 778 N GLY A 83 -4.810 11.980 -5.850 1.00 0.00 N ATOM 779 CA GLY A 83 -6.080 12.540 -6.340 1.00 0.00 C ATOM 780 C GLY A 83 -7.240 12.380 -5.340 1.00 0.00 C ATOM 781 O GLY A 83 -8.410 12.460 -5.710 1.00 0.00 O ATOM 0 H GLY A 83 -4.081 12.680 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.942 13.599 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.347 12.052 -7.277 1.00 0.00 H new ATOM 783 N ASP A 84 -6.870 12.120 -4.080 1.00 0.00 N ATOM 784 CA ASP A 84 -7.790 12.030 -2.940 1.00 0.00 C ATOM 785 C ASP A 84 -7.140 12.500 -1.620 1.00 0.00 C ATOM 786 O ASP A 84 -7.550 12.110 -0.540 1.00 0.00 O ATOM 787 CB ASP A 84 -8.360 10.610 -2.840 1.00 0.00 C ATOM 788 CG ASP A 84 -9.420 10.410 -1.740 1.00 0.00 C ATOM 789 OD1 ASP A 84 -10.090 11.410 -1.380 1.00 0.00 O ATOM 790 OD2 ASP A 84 -9.580 9.240 -1.330 1.00 0.00 O ATOM 0 H ASP A 84 -5.897 11.962 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.618 12.717 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.800 10.343 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.538 9.916 -2.662 1.00 0.00 H new ATOM 792 N HIS A 85 -6.140 13.380 -1.730 1.00 0.00 N ATOM 793 CA HIS A 85 -5.420 14.000 -0.610 1.00 0.00 C ATOM 794 C HIS A 85 -4.810 12.940 0.300 1.00 0.00 C ATOM 795 O HIS A 85 -5.430 12.470 1.240 1.00 0.00 O ATOM 796 CB HIS A 85 -6.340 14.940 0.180 1.00 0.00 C ATOM 797 CG HIS A 85 -5.550 15.960 0.980 1.00 0.00 C ATOM 798 ND1 HIS A 85 -5.260 15.870 2.270 1.00 0.00 N ATOM 799 CD2 HIS A 85 -5.100 17.130 0.530 1.00 0.00 C ATOM 800 CE1 HIS A 85 -4.620 16.970 2.630 1.00 0.00 C ATOM 801 NE2 HIS A 85 -4.530 17.750 1.560 1.00 0.00 N ATOM 0 H HIS A 85 -5.795 13.693 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 85 -4.606 14.596 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.009 15.457 -0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.966 14.355 0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.182 17.504 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.240 17.193 3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.096 18.672 1.532 1.00 0.00 H new ATOM 805 N TYR A 86 -3.630 12.490 -0.130 1.00 0.00 N ATOM 806 CA TYR A 86 -2.900 11.440 0.600 1.00 0.00 C ATOM 807 C TYR A 86 -3.750 10.220 0.990 1.00 0.00 C ATOM 808 O TYR A 86 -3.940 9.890 2.160 1.00 0.00 O ATOM 809 CB TYR A 86 -2.320 12.120 1.860 1.00 0.00 C ATOM 810 CG TYR A 86 -1.050 12.950 1.630 1.00 0.00 C ATOM 811 CD1 TYR A 86 -0.510 13.140 0.340 1.00 0.00 C ATOM 812 CD2 TYR A 86 -0.390 13.380 2.790 1.00 0.00 C ATOM 813 CE1 TYR A 86 0.740 13.760 0.210 1.00 0.00 C ATOM 814 CE2 TYR A 86 0.860 14.010 2.670 1.00 0.00 C ATOM 815 CZ TYR A 86 1.410 14.180 1.380 1.00 0.00 C ATOM 816 OH TYR A 86 2.680 14.620 1.260 1.00 0.00 O ATOM 0 H TYR A 86 -3.160 12.828 -0.970 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.131 11.029 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.085 12.768 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.102 11.351 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -1.052 12.812 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.836 13.229 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.181 13.913 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.389 14.357 3.545 1.00 0.00 H new ATOM 0 HH TYR A 86 3.287 13.990 1.701 1.00 0.00 H new ATOM 819 N ALA A 87 -4.440 9.690 -0.020 1.00 0.00 N ATOM 820 CA ALA A 87 -5.330 8.540 0.200 1.00 0.00 C ATOM 821 C ALA A 87 -4.970 7.310 -0.630 1.00 0.00 C ATOM 822 O ALA A 87 -5.130 6.170 -0.190 1.00 0.00 O ATOM 823 CB ALA A 87 -6.770 8.970 -0.040 1.00 0.00 C ATOM 0 H ALA A 87 -4.405 10.027 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.202 8.225 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.435 8.121 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.030 9.772 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.878 9.325 -1.065 1.00 0.00 H new ATOM 825 N THR A 88 -4.510 7.560 -1.850 1.00 0.00 N ATOM 826 CA THR A 88 -4.110 6.530 -2.820 1.00 0.00 C ATOM 827 C THR A 88 -2.800 6.980 -3.480 1.00 0.00 C ATOM 828 O THR A 88 -2.330 8.080 -3.200 1.00 0.00 O ATOM 829 CB THR A 88 -5.190 6.380 -3.890 1.00 0.00 C ATOM 830 OG1 THR A 88 -5.550 7.690 -4.310 1.00 0.00 O ATOM 831 CG2 THR A 88 -6.410 5.620 -3.360 1.00 0.00 C ATOM 0 H THR A 88 -4.399 8.509 -2.208 1.00 0.00 H new ATOM 0 HA THR A 88 -3.976 5.572 -2.317 1.00 0.00 H new ATOM 0 HB THR A 88 -4.808 5.796 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.054 7.921 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.156 5.534 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.106 4.624 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.837 6.161 -2.515 1.00 0.00 H new ATOM 834 N PHE A 89 -2.130 6.080 -4.180 1.00 0.00 N ATOM 835 CA PHE A 89 -0.810 6.350 -4.770 1.00 0.00 C ATOM 836 C PHE A 89 -0.610 5.380 -5.930 1.00 0.00 C ATOM 837 O PHE A 89 -0.740 4.160 -5.750 1.00 0.00 O ATOM 838 CB PHE A 89 0.350 6.180 -3.780 1.00 0.00 C ATOM 839 CG PHE A 89 0.230 7.120 -2.570 1.00 0.00 C ATOM 840 CD1 PHE A 89 0.680 8.460 -2.670 1.00 0.00 C ATOM 841 CD2 PHE A 89 -0.430 6.660 -1.410 1.00 0.00 C ATOM 842 CE1 PHE A 89 0.460 9.350 -1.590 1.00 0.00 C ATOM 843 CE2 PHE A 89 -0.660 7.550 -0.330 1.00 0.00 C ATOM 844 CZ PHE A 89 -0.200 8.880 -0.440 1.00 0.00 C ATOM 0 H PHE A 89 -2.478 5.138 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.798 7.392 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.379 5.147 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.293 6.371 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.186 8.800 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.759 5.633 -1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.794 10.375 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.176 7.217 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.360 9.558 0.385 1.00 0.00 H new ATOM 846 N SER A 90 -0.600 5.960 -7.120 1.00 0.00 N ATOM 847 CA SER A 90 -0.420 5.200 -8.360 1.00 0.00 C ATOM 848 C SER A 90 0.600 5.890 -9.260 1.00 0.00 C ATOM 849 O SER A 90 0.430 7.050 -9.610 1.00 0.00 O ATOM 850 CB SER A 90 -1.740 5.050 -9.130 1.00 0.00 C ATOM 851 OG SER A 90 -2.810 4.710 -8.240 1.00 0.00 O ATOM 0 H SER A 90 -0.715 6.964 -7.260 1.00 0.00 H new ATOM 0 HA SER A 90 -0.064 4.208 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.973 5.981 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.636 4.279 -9.893 1.00 0.00 H new ATOM 0 HG SER A 90 -3.643 4.620 -8.749 1.00 0.00 H new ATOM 854 N LEU A 91 1.730 5.210 -9.490 1.00 0.00 N ATOM 855 CA LEU A 91 2.820 5.700 -10.360 1.00 0.00 C ATOM 856 C LEU A 91 2.290 6.250 -11.690 1.00 0.00 C ATOM 857 O LEU A 91 1.230 5.820 -12.140 1.00 0.00 O ATOM 858 CB LEU A 91 3.810 4.570 -10.670 1.00 0.00 C ATOM 859 CG LEU A 91 4.650 4.130 -9.470 1.00 0.00 C ATOM 860 CD1 LEU A 91 5.480 2.910 -9.850 1.00 0.00 C ATOM 861 CD2 LEU A 91 5.590 5.260 -9.070 1.00 0.00 C ATOM 0 H LEU A 91 1.920 4.297 -9.077 1.00 0.00 H new ATOM 0 HA LEU A 91 3.316 6.504 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.257 3.710 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.478 4.895 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 91 3.990 3.883 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.079 2.596 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.817 2.097 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.139 3.163 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.190 4.949 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.247 5.500 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.007 6.141 -8.803 1.00 0.00 H new ATOM 863 N ILE A 92 3.050 7.060 -12.410 1.00 0.00 N ATOM 864 CA ILE A 92 2.600 7.610 -13.700 1.00 0.00 C ATOM 865 C ILE A 92 3.400 6.960 -14.840 1.00 0.00 C ATOM 866 O ILE A 92 4.620 7.090 -14.920 1.00 0.00 O ATOM 867 CB ILE A 92 2.630 9.160 -13.680 1.00 0.00 C ATOM 868 CG1 ILE A 92 1.340 9.780 -13.170 1.00 0.00 C ATOM 869 CG2 ILE A 92 2.910 9.810 -15.030 1.00 0.00 C ATOM 870 CD1 ILE A 92 0.980 9.560 -11.700 1.00 0.00 C ATOM 0 H ILE A 92 3.985 7.358 -12.131 1.00 0.00 H new ATOM 0 HA ILE A 92 1.555 7.359 -13.882 1.00 0.00 H new ATOM 0 HB ILE A 92 3.458 9.360 -12.999 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.392 10.854 -13.346 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.520 9.397 -13.777 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.912 10.894 -14.918 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.882 9.481 -15.397 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.136 9.520 -15.741 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.036 10.058 -11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.881 8.492 -11.506 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.766 9.973 -11.067 1.00 0.00 H new ATOM 872 N ASP A 93 2.640 6.440 -15.790 1.00 0.00 N ATOM 873 CA ASP A 93 3.220 5.850 -17.010 1.00 0.00 C ATOM 874 C ASP A 93 3.000 6.810 -18.180 1.00 0.00 C ATOM 875 O ASP A 93 1.930 6.820 -18.780 1.00 0.00 O ATOM 876 CB ASP A 93 2.590 4.480 -17.260 1.00 0.00 C ATOM 877 CG ASP A 93 3.640 3.390 -17.500 1.00 0.00 C ATOM 878 OD1 ASP A 93 4.700 3.450 -16.830 1.00 0.00 O ATOM 879 OD2 ASP A 93 3.370 2.530 -18.360 1.00 0.00 O ATOM 0 H ASP A 93 1.621 6.409 -15.751 1.00 0.00 H new ATOM 0 HA ASP A 93 4.294 5.701 -16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.974 4.205 -16.404 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.928 4.540 -18.124 1.00 0.00 H new ATOM 881 N GLN A 94 4.020 7.630 -18.440 1.00 0.00 N ATOM 882 CA GLN A 94 3.990 8.640 -19.530 1.00 0.00 C ATOM 883 C GLN A 94 3.760 7.980 -20.910 1.00 0.00 C ATOM 884 O GLN A 94 2.880 8.400 -21.660 1.00 0.00 O ATOM 885 CB GLN A 94 5.270 9.460 -19.620 1.00 0.00 C ATOM 886 CG GLN A 94 5.750 10.050 -18.280 1.00 0.00 C ATOM 887 CD GLN A 94 7.040 9.350 -17.850 1.00 0.00 C ATOM 888 OE1 GLN A 94 8.020 9.240 -18.570 1.00 0.00 O ATOM 889 NE2 GLN A 94 7.050 8.790 -16.660 1.00 0.00 N ATOM 0 H GLN A 94 4.892 7.623 -17.911 1.00 0.00 H new ATOM 0 HA GLN A 94 3.161 9.301 -19.276 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.061 8.831 -20.029 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.114 10.276 -20.326 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.921 11.122 -18.382 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.982 9.921 -17.517 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.237 8.875 -16.050 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.870 8.271 -16.348 1.00 0.00 H new ATOM 893 N THR A 95 4.450 6.860 -21.110 1.00 0.00 N ATOM 894 CA THR A 95 4.290 5.940 -22.260 1.00 0.00 C ATOM 895 C THR A 95 2.830 5.520 -22.510 1.00 0.00 C ATOM 896 O THR A 95 2.370 5.410 -23.650 1.00 0.00 O ATOM 897 CB THR A 95 5.200 4.700 -22.140 1.00 0.00 C ATOM 898 OG1 THR A 95 4.860 3.740 -23.140 1.00 0.00 O ATOM 899 CG2 THR A 95 5.210 4.040 -20.750 1.00 0.00 C ATOM 0 H THR A 95 5.167 6.546 -20.456 1.00 0.00 H new ATOM 0 HA THR A 95 4.605 6.514 -23.131 1.00 0.00 H new ATOM 0 HB THR A 95 6.214 5.068 -22.294 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.445 2.958 -23.055 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.877 3.178 -20.761 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.559 4.759 -20.008 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.201 3.715 -20.494 1.00 0.00 H new ATOM 902 N CYS A 96 2.080 5.440 -21.420 1.00 0.00 N ATOM 903 CA CYS A 96 0.650 5.110 -21.470 1.00 0.00 C ATOM 904 C CYS A 96 -0.240 6.370 -21.280 1.00 0.00 C ATOM 905 O CYS A 96 0.250 7.370 -20.730 1.00 0.00 O ATOM 906 CB CYS A 96 0.380 4.030 -20.420 1.00 0.00 C ATOM 907 SG CYS A 96 -1.270 3.270 -20.590 1.00 0.00 S ATOM 908 OXT CYS A 96 -1.450 6.280 -21.590 1.00 0.00 O ATOM 0 H CYS A 96 2.437 5.600 -20.478 1.00 0.00 H new ATOM 0 HA CYS A 96 0.387 4.725 -22.455 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.142 3.254 -20.500 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.473 4.466 -19.425 1.00 0.00 H new