USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 163 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 46 THR OG1 : rot 109:sc= 0.843 USER MOD Set 1.2: A 52 TYR OH : rot -116:sc= 1.71 USER MOD Set 1.3: A 80 TYR OH : rot 117:sc= 1.43 USER MOD Set 2.1: A 77 GLN :FLIP amide:sc= -0.193 F(o=-2.3,f=-0.61) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.421 K(o=-0.61,f=-1.2!) USER MOD Set 3.1: A 32 GLN : amide:sc= -3.66 K(o=-5.6,f=-7.7!) USER MOD Set 3.2: A 56 THR OG1 : rot -150:sc= -1.9! USER MOD Single : A 1 ASP N :NH3+ 152:sc= 0.00493 (180deg=-0.0566) 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= -0.454 USER MOD Single : A 18 THR OG1 : rot -145:sc= -2.03 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.2) 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= -0.114 K(o=-0.11,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= -2.05 K(o=-2,f=-8.6!) USER MOD Single : A 42 SER OG : rot -55:sc= 0.272 USER MOD Single : A 47 GLN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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 53 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.8) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -100:sc= -1.97! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 117:sc= 1.04 USER MOD Single : A 72 THR OG1 : rot -139:sc= 0.728 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 65:sc= 0.0158 USER MOD Single : A 85 HIS : no HE2:sc= 0.207 K(o=0.21,f=-1.6) USER MOD Single : A 86 TYR OH : rot -87:sc= 0.503 USER MOD Single : A 88 THR OG1 : rot 102:sc= 0.462 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 1 N ASP A 1 1.300 -0.060 0.080 1.00 0.00 N ATOM 2 CA ASP A 1 1.990 -0.010 -1.220 1.00 0.00 C ATOM 3 C ASP A 1 1.840 1.350 -1.920 1.00 0.00 C ATOM 4 O ASP A 1 0.950 2.140 -1.590 1.00 0.00 O ATOM 5 CB ASP A 1 1.560 -1.160 -2.130 1.00 0.00 C ATOM 6 CG ASP A 1 0.040 -1.360 -2.170 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.610 -0.660 -2.970 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.430 -2.220 -1.390 1.00 0.00 O ATOM 0 H1 ASP A 1 1.017 -1.039 0.285 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.940 0.279 0.826 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.455 0.545 0.048 1.00 0.00 H new ATOM 0 HA ASP A 1 3.052 -0.133 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.922 -0.971 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.033 -2.081 -1.789 1.00 0.00 H new ATOM 12 N VAL A 2 2.730 1.610 -2.870 1.00 0.00 N ATOM 13 CA VAL A 2 2.720 2.850 -3.670 1.00 0.00 C ATOM 14 C VAL A 2 1.340 2.990 -4.320 1.00 0.00 C ATOM 15 O VAL A 2 0.890 2.080 -5.020 1.00 0.00 O ATOM 16 CB VAL A 2 3.820 2.810 -4.730 1.00 0.00 C ATOM 17 CG1 VAL A 2 4.020 4.130 -5.470 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.170 2.580 -4.060 1.00 0.00 C ATOM 0 H VAL A 2 3.486 0.971 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 2 2.914 3.711 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 2 3.505 2.025 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.818 4.018 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.096 4.406 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.290 4.909 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.952 2.552 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.372 3.391 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.152 1.632 -3.522 1.00 0.00 H new ATOM 20 N SER A 3 0.730 4.150 -4.110 1.00 0.00 N ATOM 21 CA SER A 3 -0.580 4.470 -4.720 1.00 0.00 C ATOM 22 C SER A 3 -0.500 4.810 -6.220 1.00 0.00 C ATOM 23 O SER A 3 -1.470 5.240 -6.840 1.00 0.00 O ATOM 24 CB SER A 3 -1.290 5.610 -3.980 1.00 0.00 C ATOM 25 OG SER A 3 -1.960 5.090 -2.820 1.00 0.00 O ATOM 0 H SER A 3 1.111 4.893 -3.524 1.00 0.00 H new ATOM 0 HA SER A 3 -1.161 3.553 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.567 6.370 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.009 6.094 -4.641 1.00 0.00 H new ATOM 0 HG SER A 3 -2.411 5.821 -2.348 1.00 0.00 H new ATOM 28 N GLY A 4 0.700 4.630 -6.760 1.00 0.00 N ATOM 29 CA GLY A 4 1.030 4.880 -8.170 1.00 0.00 C ATOM 30 C GLY A 4 2.150 5.920 -8.260 1.00 0.00 C ATOM 31 O GLY A 4 2.860 6.190 -7.300 1.00 0.00 O ATOM 0 H GLY A 4 1.497 4.297 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.342 3.953 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.148 5.234 -8.703 1.00 0.00 H new ATOM 33 N THR A 5 2.310 6.430 -9.460 1.00 0.00 N ATOM 34 CA THR A 5 3.340 7.440 -9.770 1.00 0.00 C ATOM 35 C THR A 5 2.740 8.850 -9.700 1.00 0.00 C ATOM 36 O THR A 5 1.550 9.030 -9.440 1.00 0.00 O ATOM 37 CB THR A 5 3.930 7.090 -11.150 1.00 0.00 C ATOM 38 OG1 THR A 5 4.110 5.670 -11.230 1.00 0.00 O ATOM 39 CG2 THR A 5 5.310 7.700 -11.390 1.00 0.00 C ATOM 0 H THR A 5 1.737 6.167 -10.262 1.00 0.00 H new ATOM 0 HA THR A 5 4.148 7.431 -9.038 1.00 0.00 H new ATOM 0 HB THR A 5 3.231 7.484 -11.888 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.484 5.436 -12.105 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.667 7.414 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.243 8.786 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.005 7.335 -10.634 1.00 0.00 H new ATOM 42 N VAL A 6 3.620 9.830 -9.760 1.00 0.00 N ATOM 43 CA VAL A 6 3.280 11.250 -9.630 1.00 0.00 C ATOM 44 C VAL A 6 4.080 12.010 -10.690 1.00 0.00 C ATOM 45 O VAL A 6 5.300 11.870 -10.820 1.00 0.00 O ATOM 46 CB VAL A 6 3.490 11.690 -8.160 1.00 0.00 C ATOM 47 CG1 VAL A 6 4.900 12.160 -7.800 1.00 0.00 C ATOM 48 CG2 VAL A 6 2.480 12.790 -7.820 1.00 0.00 C ATOM 0 H VAL A 6 4.617 9.667 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 6 2.231 11.471 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 6 3.336 10.791 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.932 12.443 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.610 11.352 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.165 13.020 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.621 13.106 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.632 13.641 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.468 12.407 -7.948 1.00 0.00 H new ATOM 50 N CYS A 7 3.300 12.510 -11.630 1.00 0.00 N ATOM 51 CA CYS A 7 3.840 13.330 -12.720 1.00 0.00 C ATOM 52 C CYS A 7 4.740 14.420 -12.150 1.00 0.00 C ATOM 53 O CYS A 7 4.390 15.060 -11.160 1.00 0.00 O ATOM 54 CB CYS A 7 2.670 13.950 -13.470 1.00 0.00 C ATOM 55 SG CYS A 7 1.660 12.680 -14.320 1.00 0.00 S ATOM 0 H CYS A 7 2.291 12.368 -11.669 1.00 0.00 H new ATOM 0 HA CYS A 7 4.434 12.717 -13.398 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.044 14.506 -12.772 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.045 14.666 -14.201 1.00 0.00 H new ATOM 57 N LEU A 8 5.950 14.540 -12.690 1.00 0.00 N ATOM 58 CA LEU A 8 6.910 15.550 -12.210 1.00 0.00 C ATOM 59 C LEU A 8 6.320 16.970 -12.290 1.00 0.00 C ATOM 60 O LEU A 8 6.470 17.730 -11.350 1.00 0.00 O ATOM 61 CB LEU A 8 8.220 15.530 -13.000 1.00 0.00 C ATOM 62 CG LEU A 8 9.510 15.630 -12.160 1.00 0.00 C ATOM 63 CD1 LEU A 8 10.510 16.410 -13.000 1.00 0.00 C ATOM 64 CD2 LEU A 8 9.390 16.320 -10.790 1.00 0.00 C ATOM 0 H LEU A 8 6.294 13.959 -13.454 1.00 0.00 H new ATOM 0 HA LEU A 8 7.117 15.290 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.258 14.609 -13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.207 16.356 -13.711 1.00 0.00 H new ATOM 0 HG LEU A 8 9.803 14.607 -11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.446 16.511 -12.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.693 15.879 -13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.109 17.400 -13.218 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.363 16.326 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.046 17.345 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.675 15.778 -10.171 1.00 0.00 H new ATOM 66 N SER A 9 5.480 17.200 -13.300 1.00 0.00 N ATOM 67 CA SER A 9 4.730 18.460 -13.460 1.00 0.00 C ATOM 68 C SER A 9 3.670 18.660 -12.350 1.00 0.00 C ATOM 69 O SER A 9 3.370 19.780 -11.950 1.00 0.00 O ATOM 70 CB SER A 9 4.050 18.500 -14.830 1.00 0.00 C ATOM 71 OG SER A 9 3.450 19.780 -15.030 1.00 0.00 O ATOM 0 H SER A 9 5.296 16.519 -14.036 1.00 0.00 H new ATOM 0 HA SER A 9 5.452 19.273 -13.379 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.780 18.303 -15.615 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.293 17.718 -14.894 1.00 0.00 H new ATOM 0 HG SER A 9 3.016 19.804 -15.908 1.00 0.00 H new ATOM 74 N ALA A 10 3.170 17.540 -11.820 1.00 0.00 N ATOM 75 CA ALA A 10 2.240 17.530 -10.670 1.00 0.00 C ATOM 76 C ALA A 10 2.970 17.820 -9.340 1.00 0.00 C ATOM 77 O ALA A 10 2.360 18.220 -8.350 1.00 0.00 O ATOM 78 CB ALA A 10 1.540 16.170 -10.590 1.00 0.00 C ATOM 0 H ALA A 10 3.395 16.609 -12.172 1.00 0.00 H new ATOM 0 HA ALA A 10 1.506 18.320 -10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.855 16.163 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.982 15.993 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.285 15.385 -10.461 1.00 0.00 H new ATOM 80 N LEU A 11 4.280 17.600 -9.360 1.00 0.00 N ATOM 81 CA LEU A 11 5.160 17.900 -8.230 1.00 0.00 C ATOM 82 C LEU A 11 5.620 19.360 -8.150 1.00 0.00 C ATOM 83 O LEU A 11 5.540 20.080 -9.140 1.00 0.00 O ATOM 84 CB LEU A 11 6.370 16.960 -8.270 1.00 0.00 C ATOM 85 CG LEU A 11 6.040 15.580 -7.720 1.00 0.00 C ATOM 86 CD1 LEU A 11 7.360 14.940 -7.360 1.00 0.00 C ATOM 87 CD2 LEU A 11 5.190 15.610 -6.460 1.00 0.00 C ATOM 0 H LEU A 11 4.767 17.206 -10.165 1.00 0.00 H new ATOM 0 HA LEU A 11 4.570 17.738 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.722 16.866 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.186 17.395 -7.692 1.00 0.00 H new ATOM 0 HG LEU A 11 5.470 15.041 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.183 13.942 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.984 14.867 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.867 15.548 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.996 14.590 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.719 16.152 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.244 16.109 -6.671 1.00 0.00 H new ATOM 89 N PRO A 12 6.050 19.820 -6.960 1.00 0.00 N ATOM 90 CA PRO A 12 6.510 21.210 -6.780 1.00 0.00 C ATOM 91 C PRO A 12 7.850 21.490 -7.510 1.00 0.00 C ATOM 92 O PRO A 12 8.550 20.550 -7.870 1.00 0.00 O ATOM 93 CB PRO A 12 6.550 21.340 -5.260 1.00 0.00 C ATOM 94 CG PRO A 12 6.880 19.960 -4.720 1.00 0.00 C ATOM 95 CD PRO A 12 6.070 19.080 -5.680 1.00 0.00 C ATOM 0 HA PRO A 12 5.865 21.965 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.301 22.067 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.592 21.689 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.948 19.744 -4.761 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.569 19.836 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.531 18.099 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.060 18.914 -5.305 1.00 0.00 H new ATOM 96 N PRO A 13 8.260 22.770 -7.660 1.00 0.00 N ATOM 97 CA PRO A 13 9.540 23.120 -8.310 1.00 0.00 C ATOM 98 C PRO A 13 10.780 22.700 -7.500 1.00 0.00 C ATOM 99 O PRO A 13 11.870 22.500 -8.050 1.00 0.00 O ATOM 100 CB PRO A 13 9.460 24.630 -8.520 1.00 0.00 C ATOM 101 CG PRO A 13 8.550 25.130 -7.400 1.00 0.00 C ATOM 102 CD PRO A 13 7.560 23.980 -7.170 1.00 0.00 C ATOM 0 HA PRO A 13 9.668 22.578 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.446 25.090 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.051 24.872 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.118 25.352 -6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.035 26.047 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.301 23.887 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.630 24.145 -7.713 1.00 0.00 H new ATOM 103 N GLU A 14 10.560 22.430 -6.220 1.00 0.00 N ATOM 104 CA GLU A 14 11.570 21.910 -5.290 1.00 0.00 C ATOM 105 C GLU A 14 11.650 20.380 -5.300 1.00 0.00 C ATOM 106 O GLU A 14 12.660 19.820 -4.880 1.00 0.00 O ATOM 107 CB GLU A 14 11.340 22.410 -3.860 1.00 0.00 C ATOM 108 CG GLU A 14 9.890 22.220 -3.370 1.00 0.00 C ATOM 109 CD GLU A 14 8.950 23.380 -3.700 1.00 0.00 C ATOM 110 OE1 GLU A 14 9.390 24.350 -4.350 1.00 0.00 O ATOM 111 OE2 GLU A 14 7.770 23.250 -3.340 1.00 0.00 O ATOM 0 H GLU A 14 9.650 22.569 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 14 12.525 22.297 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.015 21.883 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.598 23.468 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.488 21.307 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.901 22.075 -2.290 1.00 0.00 H new ATOM 113 N ALA A 15 10.660 19.710 -5.890 1.00 0.00 N ATOM 114 CA ALA A 15 10.660 18.240 -6.040 1.00 0.00 C ATOM 115 C ALA A 15 11.820 17.750 -6.910 1.00 0.00 C ATOM 116 O ALA A 15 12.680 17.010 -6.430 1.00 0.00 O ATOM 117 CB ALA A 15 9.340 17.740 -6.590 1.00 0.00 C ATOM 0 H ALA A 15 9.833 20.163 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 15 10.797 17.825 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.374 16.655 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.534 18.018 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.161 18.187 -7.568 1.00 0.00 H new ATOM 119 N THR A 16 11.940 18.390 -8.070 1.00 0.00 N ATOM 120 CA THR A 16 13.060 18.160 -9.010 1.00 0.00 C ATOM 121 C THR A 16 14.430 18.380 -8.360 1.00 0.00 C ATOM 122 O THR A 16 15.410 17.770 -8.760 1.00 0.00 O ATOM 123 CB THR A 16 12.860 18.940 -10.330 1.00 0.00 C ATOM 124 OG1 THR A 16 12.930 17.980 -11.380 1.00 0.00 O ATOM 125 CG2 THR A 16 13.830 20.100 -10.610 1.00 0.00 C ATOM 0 H THR A 16 11.269 19.086 -8.395 1.00 0.00 H new ATOM 0 HA THR A 16 13.049 17.104 -9.280 1.00 0.00 H new ATOM 0 HB THR A 16 11.897 19.445 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.806 18.429 -12.242 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.580 20.561 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.748 20.843 -9.816 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.851 19.720 -10.647 1.00 0.00 H new ATOM 128 N ASP A 17 14.470 19.220 -7.320 1.00 0.00 N ATOM 129 CA ASP A 17 15.700 19.550 -6.580 1.00 0.00 C ATOM 130 C ASP A 17 16.340 18.280 -6.020 1.00 0.00 C ATOM 131 O ASP A 17 17.400 17.900 -6.500 1.00 0.00 O ATOM 132 CB ASP A 17 15.390 20.540 -5.440 1.00 0.00 C ATOM 133 CG ASP A 17 16.600 21.140 -4.730 1.00 0.00 C ATOM 134 OD1 ASP A 17 17.670 21.200 -5.360 1.00 0.00 O ATOM 135 OD2 ASP A 17 16.390 21.590 -3.570 1.00 0.00 O ATOM 0 H ASP A 17 13.642 19.697 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 17 16.403 20.020 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.790 21.355 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.775 20.030 -4.699 1.00 0.00 H new ATOM 137 N THR A 18 15.600 17.520 -5.210 1.00 0.00 N ATOM 138 CA THR A 18 16.100 16.230 -4.710 1.00 0.00 C ATOM 139 C THR A 18 16.490 15.250 -5.820 1.00 0.00 C ATOM 140 O THR A 18 17.570 14.690 -5.780 1.00 0.00 O ATOM 141 CB THR A 18 15.120 15.630 -3.710 1.00 0.00 C ATOM 142 OG1 THR A 18 15.200 16.410 -2.520 1.00 0.00 O ATOM 143 CG2 THR A 18 15.380 14.180 -3.370 1.00 0.00 C ATOM 0 H THR A 18 14.664 17.767 -4.888 1.00 0.00 H new ATOM 0 HA THR A 18 17.034 16.431 -4.186 1.00 0.00 H new ATOM 0 HB THR A 18 14.131 15.650 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.078 15.830 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.636 13.835 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.317 13.577 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.375 14.081 -2.937 1.00 0.00 H new ATOM 146 N LEU A 19 15.600 15.080 -6.780 1.00 0.00 N ATOM 147 CA LEU A 19 15.860 14.180 -7.930 1.00 0.00 C ATOM 148 C LEU A 19 17.150 14.560 -8.670 1.00 0.00 C ATOM 149 O LEU A 19 17.970 13.690 -8.920 1.00 0.00 O ATOM 150 CB LEU A 19 14.660 14.200 -8.890 1.00 0.00 C ATOM 151 CG LEU A 19 13.290 14.260 -8.200 1.00 0.00 C ATOM 152 CD1 LEU A 19 12.230 14.200 -9.280 1.00 0.00 C ATOM 153 CD2 LEU A 19 13.050 13.160 -7.160 1.00 0.00 C ATOM 0 H LEU A 19 14.691 15.542 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 19 15.995 13.170 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.756 15.060 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 19 14.698 13.309 -9.516 1.00 0.00 H new ATOM 0 HG LEU A 19 13.248 15.191 -7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.242 14.241 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.352 15.046 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.333 13.270 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.058 13.281 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.119 12.184 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.802 13.232 -6.374 1.00 0.00 H new ATOM 155 N ASN A 20 17.420 15.860 -8.730 1.00 0.00 N ATOM 156 CA ASN A 20 18.660 16.430 -9.280 1.00 0.00 C ATOM 157 C ASN A 20 19.860 16.080 -8.400 1.00 0.00 C ATOM 158 O ASN A 20 20.890 15.670 -8.890 1.00 0.00 O ATOM 159 CB ASN A 20 18.550 17.950 -9.320 1.00 0.00 C ATOM 160 CG ASN A 20 19.040 18.520 -10.640 1.00 0.00 C ATOM 161 OD1 ASN A 20 19.940 18.020 -11.310 1.00 0.00 O ATOM 162 ND2 ASN A 20 18.420 19.610 -11.020 1.00 0.00 N ATOM 0 H ASN A 20 16.771 16.570 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 20 18.801 16.018 -10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 20 17.512 18.243 -9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.130 18.377 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.681 20.067 -11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.676 20.002 -10.442 1.00 0.00 H new ATOM 166 N LEU A 21 19.650 16.110 -7.100 1.00 0.00 N ATOM 167 CA LEU A 21 20.660 15.700 -6.130 1.00 0.00 C ATOM 168 C LEU A 21 20.920 14.190 -6.190 1.00 0.00 C ATOM 169 O LEU A 21 22.050 13.780 -6.040 1.00 0.00 O ATOM 170 CB LEU A 21 20.140 16.090 -4.750 1.00 0.00 C ATOM 171 CG LEU A 21 19.730 17.540 -4.500 1.00 0.00 C ATOM 172 CD1 LEU A 21 19.010 17.640 -3.160 1.00 0.00 C ATOM 173 CD2 LEU A 21 20.920 18.500 -4.570 1.00 0.00 C ATOM 0 H LEU A 21 18.774 16.419 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 21 21.608 16.192 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.277 15.461 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.911 15.835 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 21 19.049 17.844 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.717 18.674 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.121 17.009 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.676 17.308 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.577 19.518 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.656 18.223 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 21.375 18.444 -5.559 1.00 0.00 H new ATOM 175 N ILE A 22 19.920 13.350 -6.460 1.00 0.00 N ATOM 176 CA ILE A 22 20.130 11.910 -6.710 1.00 0.00 C ATOM 177 C ILE A 22 20.860 11.660 -8.040 1.00 0.00 C ATOM 178 O ILE A 22 21.690 10.760 -8.140 1.00 0.00 O ATOM 179 CB ILE A 22 18.790 11.160 -6.620 1.00 0.00 C ATOM 180 CG1 ILE A 22 18.450 11.040 -5.140 1.00 0.00 C ATOM 181 CG2 ILE A 22 18.750 9.760 -7.260 1.00 0.00 C ATOM 182 CD1 ILE A 22 17.210 11.860 -4.840 1.00 0.00 C ATOM 0 H ILE A 22 18.943 13.640 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 22 20.786 11.514 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 22 18.069 11.740 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.281 9.996 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.286 11.389 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 22 17.756 9.331 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 22 18.979 9.839 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.487 9.118 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 22 16.965 11.775 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.396 12.905 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 22 16.376 11.490 -5.436 1.00 0.00 H new ATOM 184 N ALA A 23 20.500 12.460 -9.040 1.00 0.00 N ATOM 185 CA ALA A 23 21.070 12.390 -10.400 1.00 0.00 C ATOM 186 C ALA A 23 22.520 12.900 -10.440 1.00 0.00 C ATOM 187 O ALA A 23 23.420 12.180 -10.850 1.00 0.00 O ATOM 188 CB ALA A 23 20.190 13.170 -11.370 1.00 0.00 C ATOM 0 H ALA A 23 19.794 13.189 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 23 21.094 11.344 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 23 20.615 13.115 -12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.188 12.741 -11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 23 20.137 14.212 -11.055 1.00 0.00 H new ATOM 190 N SER A 24 22.730 14.070 -9.840 1.00 0.00 N ATOM 191 CA SER A 24 24.060 14.700 -9.690 1.00 0.00 C ATOM 192 C SER A 24 24.830 14.210 -8.450 1.00 0.00 C ATOM 193 O SER A 24 25.900 14.730 -8.140 1.00 0.00 O ATOM 194 CB SER A 24 23.940 16.220 -9.620 1.00 0.00 C ATOM 195 OG SER A 24 23.930 16.780 -10.940 1.00 0.00 O ATOM 0 H SER A 24 21.975 14.624 -9.435 1.00 0.00 H new ATOM 0 HA SER A 24 24.623 14.403 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.026 16.496 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.773 16.631 -9.049 1.00 0.00 H new ATOM 0 HG SER A 24 23.851 17.755 -10.881 1.00 0.00 H new ATOM 198 N ASP A 25 24.270 13.210 -7.750 1.00 0.00 N ATOM 199 CA ASP A 25 24.820 12.660 -6.490 1.00 0.00 C ATOM 200 C ASP A 25 25.280 13.770 -5.520 1.00 0.00 C ATOM 201 O ASP A 25 26.260 13.650 -4.790 1.00 0.00 O ATOM 202 CB ASP A 25 25.920 11.660 -6.840 1.00 0.00 C ATOM 203 CG ASP A 25 25.780 10.380 -6.010 1.00 0.00 C ATOM 204 OD1 ASP A 25 25.070 9.480 -6.490 1.00 0.00 O ATOM 205 OD2 ASP A 25 26.380 10.340 -4.920 1.00 0.00 O ATOM 0 H ASP A 25 23.408 12.750 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 25 24.038 12.133 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 25 25.872 11.417 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 25 26.896 12.110 -6.660 1.00 0.00 H new ATOM 207 N GLY A 26 24.510 14.860 -5.540 1.00 0.00 N ATOM 208 CA GLY A 26 24.780 16.100 -4.820 1.00 0.00 C ATOM 209 C GLY A 26 25.320 17.260 -5.670 1.00 0.00 C ATOM 210 O GLY A 26 25.140 17.280 -6.880 1.00 0.00 O ATOM 0 H GLY A 26 23.647 14.901 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.859 16.426 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 26 25.498 15.889 -4.028 1.00 0.00 H new ATOM 212 N PRO A 27 25.820 18.290 -4.960 1.00 0.00 N ATOM 213 CA PRO A 27 25.830 18.400 -3.490 1.00 0.00 C ATOM 214 C PRO A 27 24.440 18.730 -2.950 1.00 0.00 C ATOM 215 O PRO A 27 23.640 19.400 -3.600 1.00 0.00 O ATOM 216 CB PRO A 27 26.850 19.490 -3.170 1.00 0.00 C ATOM 217 CG PRO A 27 26.820 20.390 -4.410 1.00 0.00 C ATOM 218 CD PRO A 27 26.490 19.450 -5.580 1.00 0.00 C ATOM 0 HA PRO A 27 26.104 17.459 -3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 27 26.579 20.040 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.843 19.073 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 27 26.069 21.174 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 27 27.779 20.885 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 27 25.842 19.938 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 27 27.393 19.147 -6.110 1.00 0.00 H new ATOM 219 N PHE A 28 24.130 18.080 -1.840 1.00 0.00 N ATOM 220 CA PHE A 28 22.810 18.220 -1.200 1.00 0.00 C ATOM 221 C PHE A 28 22.800 19.350 -0.160 1.00 0.00 C ATOM 222 O PHE A 28 23.760 19.500 0.590 1.00 0.00 O ATOM 223 CB PHE A 28 22.400 16.910 -0.530 1.00 0.00 C ATOM 224 CG PHE A 28 22.220 15.710 -1.470 1.00 0.00 C ATOM 225 CD1 PHE A 28 23.350 15.020 -1.970 1.00 0.00 C ATOM 226 CD2 PHE A 28 20.920 15.200 -1.670 1.00 0.00 C ATOM 227 CE1 PHE A 28 23.180 13.830 -2.710 1.00 0.00 C ATOM 228 CE2 PHE A 28 20.750 14.000 -2.410 1.00 0.00 C ATOM 229 CZ PHE A 28 21.880 13.340 -2.950 1.00 0.00 C ATOM 0 H PHE A 28 24.767 17.448 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 28 22.095 18.470 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.152 16.654 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 28 21.464 17.074 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 28 24.342 15.404 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 28 20.063 15.717 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 28 24.040 13.298 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.761 13.592 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 28 21.745 12.453 -3.551 1.00 0.00 H new ATOM 231 N PRO A 29 21.740 20.180 -0.170 1.00 0.00 N ATOM 232 CA PRO A 29 21.600 21.330 0.740 1.00 0.00 C ATOM 233 C PRO A 29 21.250 20.880 2.160 1.00 0.00 C ATOM 234 O PRO A 29 22.020 21.100 3.090 1.00 0.00 O ATOM 235 CB PRO A 29 20.560 22.230 0.080 1.00 0.00 C ATOM 236 CG PRO A 29 19.740 21.320 -0.830 1.00 0.00 C ATOM 237 CD PRO A 29 20.630 20.140 -1.150 1.00 0.00 C ATOM 0 HA PRO A 29 22.529 21.882 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.927 22.709 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 29 21.038 23.026 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.825 20.996 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.443 21.843 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 29 20.077 19.204 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 29 21.009 20.204 -2.170 1.00 0.00 H new ATOM 238 N TYR A 30 20.100 20.220 2.310 1.00 0.00 N ATOM 239 CA TYR A 30 19.670 19.640 3.590 1.00 0.00 C ATOM 240 C TYR A 30 20.610 18.540 4.080 1.00 0.00 C ATOM 241 O TYR A 30 21.300 17.920 3.270 1.00 0.00 O ATOM 242 CB TYR A 30 18.240 19.090 3.440 1.00 0.00 C ATOM 243 CG TYR A 30 17.150 20.100 3.840 1.00 0.00 C ATOM 244 CD1 TYR A 30 17.430 21.480 4.000 1.00 0.00 C ATOM 245 CD2 TYR A 30 15.850 19.590 4.050 1.00 0.00 C ATOM 246 CE1 TYR A 30 16.400 22.360 4.360 1.00 0.00 C ATOM 247 CE2 TYR A 30 14.810 20.470 4.410 1.00 0.00 C ATOM 248 CZ TYR A 30 15.100 21.850 4.550 1.00 0.00 C ATOM 249 OH TYR A 30 14.090 22.710 4.820 1.00 0.00 O ATOM 0 H TYR A 30 19.438 20.071 1.549 1.00 0.00 H new ATOM 0 HA TYR A 30 19.694 20.431 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 30 18.082 18.788 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 30 18.137 18.194 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 30 18.432 21.852 3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.654 18.534 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.600 23.413 4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.809 20.099 4.576 1.00 0.00 H new ATOM 0 HH TYR A 30 13.254 22.210 4.924 1.00 0.00 H new ATOM 252 N SER A 31 20.550 18.260 5.380 1.00 0.00 N ATOM 253 CA SER A 31 21.290 17.120 5.980 1.00 0.00 C ATOM 254 C SER A 31 20.590 15.770 5.790 1.00 0.00 C ATOM 255 O SER A 31 21.020 14.740 6.300 1.00 0.00 O ATOM 256 CB SER A 31 21.550 17.340 7.470 1.00 0.00 C ATOM 257 OG SER A 31 22.600 18.300 7.650 1.00 0.00 O ATOM 0 H SER A 31 20.000 18.799 6.049 1.00 0.00 H new ATOM 0 HA SER A 31 22.237 17.083 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.640 17.689 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.824 16.397 7.943 1.00 0.00 H new ATOM 0 HG SER A 31 22.758 18.436 8.608 1.00 0.00 H new ATOM 260 N GLN A 32 19.550 15.780 4.970 1.00 0.00 N ATOM 261 CA GLN A 32 18.750 14.580 4.690 1.00 0.00 C ATOM 262 C GLN A 32 19.100 13.980 3.330 1.00 0.00 C ATOM 263 O GLN A 32 18.490 14.290 2.300 1.00 0.00 O ATOM 264 CB GLN A 32 17.270 14.890 4.800 1.00 0.00 C ATOM 265 CG GLN A 32 16.730 14.100 5.990 1.00 0.00 C ATOM 266 CD GLN A 32 15.420 13.390 5.650 1.00 0.00 C ATOM 267 OE1 GLN A 32 15.260 12.770 4.600 1.00 0.00 O ATOM 268 NE2 GLN A 32 14.490 13.470 6.570 1.00 0.00 N ATOM 0 H GLN A 32 19.231 16.614 4.477 1.00 0.00 H new ATOM 0 HA GLN A 32 18.992 13.828 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 32 17.110 15.959 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 32 16.749 14.610 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.471 13.365 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.571 14.774 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.664 13.995 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.592 13.007 6.429 1.00 0.00 H new ATOM 272 N ASP A 33 20.220 13.270 3.380 1.00 0.00 N ATOM 273 CA ASP A 33 20.830 12.610 2.210 1.00 0.00 C ATOM 274 C ASP A 33 22.080 11.790 2.510 1.00 0.00 C ATOM 275 O ASP A 33 22.970 12.270 3.200 1.00 0.00 O ATOM 276 CB ASP A 33 21.240 13.650 1.170 1.00 0.00 C ATOM 277 CG ASP A 33 22.260 14.660 1.660 1.00 0.00 C ATOM 278 OD1 ASP A 33 21.800 15.630 2.290 1.00 0.00 O ATOM 279 OD2 ASP A 33 23.430 14.510 1.260 1.00 0.00 O ATOM 0 H ASP A 33 20.746 13.128 4.243 1.00 0.00 H new ATOM 0 HA ASP A 33 20.054 11.931 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.647 13.135 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.350 14.184 0.837 1.00 0.00 H new ATOM 281 N GLY A 34 22.190 10.720 1.740 1.00 0.00 N ATOM 282 CA GLY A 34 23.320 9.770 1.830 1.00 0.00 C ATOM 283 C GLY A 34 23.080 8.740 2.940 1.00 0.00 C ATOM 284 O GLY A 34 24.020 8.210 3.530 1.00 0.00 O ATOM 0 H GLY A 34 21.503 10.473 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.448 9.259 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 34 24.244 10.314 2.027 1.00 0.00 H new ATOM 286 N VAL A 35 21.800 8.490 3.190 1.00 0.00 N ATOM 287 CA VAL A 35 21.320 7.500 4.170 1.00 0.00 C ATOM 288 C VAL A 35 20.430 6.480 3.470 1.00 0.00 C ATOM 289 O VAL A 35 19.690 6.840 2.560 1.00 0.00 O ATOM 290 CB VAL A 35 20.560 8.180 5.330 1.00 0.00 C ATOM 291 CG1 VAL A 35 21.510 9.030 6.180 1.00 0.00 C ATOM 292 CG2 VAL A 35 19.360 9.030 4.890 1.00 0.00 C ATOM 0 H VAL A 35 21.043 8.977 2.710 1.00 0.00 H new ATOM 0 HA VAL A 35 22.183 6.991 4.599 1.00 0.00 H new ATOM 0 HB VAL A 35 20.155 7.360 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.952 9.499 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.292 8.395 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 35 21.963 9.802 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.885 9.470 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.701 9.824 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.641 8.401 4.365 1.00 0.00 H new ATOM 294 N VAL A 36 20.510 5.250 3.970 1.00 0.00 N ATOM 295 CA VAL A 36 19.710 4.100 3.510 1.00 0.00 C ATOM 296 C VAL A 36 18.350 4.100 4.210 1.00 0.00 C ATOM 297 O VAL A 36 18.230 4.490 5.370 1.00 0.00 O ATOM 298 CB VAL A 36 20.500 2.780 3.710 1.00 0.00 C ATOM 299 CG1 VAL A 36 19.670 1.490 3.700 1.00 0.00 C ATOM 300 CG2 VAL A 36 21.580 2.650 2.640 1.00 0.00 C ATOM 0 H VAL A 36 21.149 5.011 4.728 1.00 0.00 H new ATOM 0 HA VAL A 36 19.516 4.184 2.441 1.00 0.00 H new ATOM 0 HB VAL A 36 20.912 2.870 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 36 20.327 0.633 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.933 1.525 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 36 19.159 1.394 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 36 22.129 1.720 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 36 21.116 2.644 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 36 22.267 3.493 2.712 1.00 0.00 H new ATOM 302 N PHE A 37 17.390 3.490 3.520 1.00 0.00 N ATOM 303 CA PHE A 37 16.040 3.290 4.050 1.00 0.00 C ATOM 304 C PHE A 37 15.530 1.870 3.730 1.00 0.00 C ATOM 305 O PHE A 37 14.780 1.720 2.780 1.00 0.00 O ATOM 306 CB PHE A 37 15.130 4.360 3.430 1.00 0.00 C ATOM 307 CG PHE A 37 13.660 4.260 3.870 1.00 0.00 C ATOM 308 CD1 PHE A 37 13.340 4.070 5.230 1.00 0.00 C ATOM 309 CD2 PHE A 37 12.640 4.290 2.900 1.00 0.00 C ATOM 310 CE1 PHE A 37 11.990 3.900 5.620 1.00 0.00 C ATOM 311 CE2 PHE A 37 11.290 4.150 3.280 1.00 0.00 C ATOM 312 CZ PHE A 37 10.980 3.960 4.650 1.00 0.00 C ATOM 0 H PHE A 37 17.523 3.120 2.579 1.00 0.00 H new ATOM 0 HA PHE A 37 16.041 3.387 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 37 15.512 5.346 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 37 15.180 4.280 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 37 14.124 4.054 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.894 4.421 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.740 3.726 6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.505 4.187 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.948 3.860 4.952 1.00 0.00 H new ATOM 314 N GLN A 38 15.840 0.870 4.560 1.00 0.00 N ATOM 315 CA GLN A 38 15.400 -0.530 4.320 1.00 0.00 C ATOM 316 C GLN A 38 13.880 -0.750 4.490 1.00 0.00 C ATOM 317 O GLN A 38 13.420 -1.610 5.230 1.00 0.00 O ATOM 318 CB GLN A 38 16.150 -1.490 5.250 1.00 0.00 C ATOM 319 CG GLN A 38 16.000 -2.910 4.690 1.00 0.00 C ATOM 320 CD GLN A 38 15.320 -3.950 5.590 1.00 0.00 C ATOM 321 OE1 GLN A 38 14.820 -3.700 6.670 1.00 0.00 O ATOM 322 NE2 GLN A 38 15.310 -5.170 5.110 1.00 0.00 N ATOM 0 H GLN A 38 16.394 0.992 5.408 1.00 0.00 H new ATOM 0 HA GLN A 38 15.636 -0.735 3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.203 -1.215 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.746 -1.435 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.436 -2.848 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.994 -3.280 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.733 -5.365 4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.879 -5.925 5.644 1.00 0.00 H new ATOM 326 N ASN A 39 13.110 0.090 3.800 1.00 0.00 N ATOM 327 CA ASN A 39 11.650 0.220 3.890 1.00 0.00 C ATOM 328 C ASN A 39 11.180 -0.200 5.290 1.00 0.00 C ATOM 329 O ASN A 39 10.500 -1.210 5.470 1.00 0.00 O ATOM 330 CB ASN A 39 11.030 -0.590 2.740 1.00 0.00 C ATOM 331 CG ASN A 39 9.510 -0.580 2.790 1.00 0.00 C ATOM 332 OD1 ASN A 39 8.850 0.340 3.280 1.00 0.00 O ATOM 333 ND2 ASN A 39 8.920 -1.590 2.200 1.00 0.00 N ATOM 0 H ASN A 39 13.509 0.738 3.121 1.00 0.00 H new ATOM 0 HA ASN A 39 11.320 1.252 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.364 -0.180 1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.387 -1.619 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.902 -1.623 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.478 -2.344 1.799 1.00 0.00 H new ATOM 337 N ARG A 40 11.760 0.460 6.300 1.00 0.00 N ATOM 338 CA ARG A 40 11.510 0.120 7.720 1.00 0.00 C ATOM 339 C ARG A 40 10.020 0.160 8.050 1.00 0.00 C ATOM 340 O ARG A 40 9.510 -0.590 8.880 1.00 0.00 O ATOM 341 CB ARG A 40 12.220 1.040 8.710 1.00 0.00 C ATOM 342 CG ARG A 40 13.740 0.980 8.590 1.00 0.00 C ATOM 343 CD ARG A 40 14.230 2.040 7.590 1.00 0.00 C ATOM 344 NE ARG A 40 15.150 2.990 8.230 1.00 0.00 N ATOM 345 CZ ARG A 40 16.390 2.700 8.610 1.00 0.00 C ATOM 346 NH1 ARG A 40 16.900 1.490 8.380 1.00 0.00 N ATOM 347 NH2 ARG A 40 17.140 3.600 9.230 1.00 0.00 N ATOM 0 H ARG A 40 12.409 1.236 6.167 1.00 0.00 H new ATOM 0 HA ARG A 40 11.912 -0.887 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.888 2.065 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.929 0.767 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.197 1.149 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.048 -0.012 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.731 1.551 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.376 2.578 7.179 1.00 0.00 H new ATOM 0 HE ARG A 40 14.813 3.939 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.338 0.781 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.852 1.274 8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.767 4.530 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.090 3.363 9.516 1.00 0.00 H new ATOM 354 N GLU A 41 9.340 1.010 7.290 1.00 0.00 N ATOM 355 CA GLU A 41 7.880 1.120 7.330 1.00 0.00 C ATOM 356 C GLU A 41 7.130 -0.020 6.650 1.00 0.00 C ATOM 357 O GLU A 41 5.910 -0.070 6.770 1.00 0.00 O ATOM 358 CB GLU A 41 7.490 2.450 6.720 1.00 0.00 C ATOM 359 CG GLU A 41 7.000 3.320 7.870 1.00 0.00 C ATOM 360 CD GLU A 41 6.230 4.540 7.370 1.00 0.00 C ATOM 361 OE1 GLU A 41 6.420 4.890 6.180 1.00 0.00 O ATOM 362 OE2 GLU A 41 5.570 5.110 8.260 1.00 0.00 O ATOM 0 H GLU A 41 9.783 1.645 6.626 1.00 0.00 H new ATOM 0 HA GLU A 41 7.584 1.054 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.340 2.912 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.709 2.320 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.360 2.729 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.851 3.647 8.467 1.00 0.00 H new ATOM 364 N SER A 42 7.840 -0.860 5.900 1.00 0.00 N ATOM 365 CA SER A 42 7.270 -1.990 5.120 1.00 0.00 C ATOM 366 C SER A 42 6.010 -1.570 4.340 1.00 0.00 C ATOM 367 O SER A 42 4.970 -2.220 4.320 1.00 0.00 O ATOM 368 CB SER A 42 7.030 -3.170 6.060 1.00 0.00 C ATOM 369 OG SER A 42 6.580 -4.320 5.330 1.00 0.00 O ATOM 0 H SER A 42 8.853 -0.784 5.806 1.00 0.00 H new ATOM 0 HA SER A 42 7.983 -2.303 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.950 -3.409 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.289 -2.897 6.811 1.00 0.00 H new ATOM 0 HG SER A 42 5.785 -4.085 4.808 1.00 0.00 H new ATOM 372 N VAL A 43 6.120 -0.390 3.740 1.00 0.00 N ATOM 373 CA VAL A 43 5.020 0.200 2.950 1.00 0.00 C ATOM 374 C VAL A 43 5.360 0.170 1.450 1.00 0.00 C ATOM 375 O VAL A 43 4.480 0.230 0.590 1.00 0.00 O ATOM 376 CB VAL A 43 4.640 1.600 3.470 1.00 0.00 C ATOM 377 CG1 VAL A 43 3.570 2.290 2.620 1.00 0.00 C ATOM 378 CG2 VAL A 43 4.060 1.530 4.890 1.00 0.00 C ATOM 0 H VAL A 43 6.960 0.187 3.780 1.00 0.00 H new ATOM 0 HA VAL A 43 4.125 -0.409 3.078 1.00 0.00 H new ATOM 0 HB VAL A 43 5.572 2.165 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.348 3.271 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.935 2.406 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.664 1.685 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.802 2.534 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.166 0.907 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.800 1.099 5.564 1.00 0.00 H new ATOM 380 N LEU A 44 6.640 0.060 1.140 1.00 0.00 N ATOM 381 CA LEU A 44 7.100 0.120 -0.250 1.00 0.00 C ATOM 382 C LEU A 44 7.060 -1.300 -0.840 1.00 0.00 C ATOM 383 O LEU A 44 7.220 -2.260 -0.080 1.00 0.00 O ATOM 384 CB LEU A 44 8.510 0.740 -0.320 1.00 0.00 C ATOM 385 CG LEU A 44 8.700 2.150 0.300 1.00 0.00 C ATOM 386 CD1 LEU A 44 9.140 3.140 -0.750 1.00 0.00 C ATOM 387 CD2 LEU A 44 7.460 2.790 0.880 1.00 0.00 C ATOM 0 H LEU A 44 7.384 -0.071 1.826 1.00 0.00 H new ATOM 0 HA LEU A 44 6.446 0.760 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.203 0.059 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.805 0.790 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 44 9.425 1.960 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.267 4.122 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.086 2.815 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.385 3.199 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.712 3.770 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.709 2.902 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.064 2.160 1.676 1.00 0.00 H new ATOM 389 N PRO A 45 6.780 -1.450 -2.150 1.00 0.00 N ATOM 390 CA PRO A 45 6.640 -2.760 -2.800 1.00 0.00 C ATOM 391 C PRO A 45 8.010 -3.440 -3.040 1.00 0.00 C ATOM 392 O PRO A 45 8.320 -3.890 -4.140 1.00 0.00 O ATOM 393 CB PRO A 45 5.880 -2.440 -4.090 1.00 0.00 C ATOM 394 CG PRO A 45 6.350 -1.040 -4.460 1.00 0.00 C ATOM 395 CD PRO A 45 6.550 -0.360 -3.110 1.00 0.00 C ATOM 0 HA PRO A 45 6.107 -3.488 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.110 -3.159 -4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.801 -2.471 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.275 -1.067 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.611 -0.517 -5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.398 0.324 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.675 0.228 -2.834 1.00 0.00 H new ATOM 396 N THR A 46 8.750 -3.560 -1.950 1.00 0.00 N ATOM 397 CA THR A 46 10.110 -4.140 -1.910 1.00 0.00 C ATOM 398 C THR A 46 10.380 -4.610 -0.460 1.00 0.00 C ATOM 399 O THR A 46 9.440 -4.890 0.270 1.00 0.00 O ATOM 400 CB THR A 46 11.150 -3.100 -2.410 1.00 0.00 C ATOM 401 OG1 THR A 46 10.630 -2.320 -3.480 1.00 0.00 O ATOM 402 CG2 THR A 46 12.430 -3.760 -2.920 1.00 0.00 C ATOM 0 H THR A 46 8.424 -3.251 -1.034 1.00 0.00 H new ATOM 0 HA THR A 46 10.196 -4.999 -2.576 1.00 0.00 H new ATOM 0 HB THR A 46 11.373 -2.474 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.462 -1.406 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.125 -2.992 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.888 -4.335 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.191 -4.424 -3.751 1.00 0.00 H new ATOM 405 N GLN A 47 11.650 -4.570 -0.030 1.00 0.00 N ATOM 406 CA GLN A 47 12.150 -5.100 1.260 1.00 0.00 C ATOM 407 C GLN A 47 13.690 -5.020 1.330 1.00 0.00 C ATOM 408 O GLN A 47 14.260 -4.920 2.410 1.00 0.00 O ATOM 409 CB GLN A 47 11.680 -6.560 1.470 1.00 0.00 C ATOM 410 CG GLN A 47 12.390 -7.280 2.630 1.00 0.00 C ATOM 411 CD GLN A 47 11.490 -8.250 3.380 1.00 0.00 C ATOM 412 OE1 GLN A 47 10.790 -9.090 2.830 1.00 0.00 O ATOM 413 NE2 GLN A 47 11.560 -8.140 4.690 1.00 0.00 N ATOM 0 H GLN A 47 12.392 -4.151 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 47 11.737 -4.483 2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.606 -6.563 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.846 -7.121 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.250 -7.823 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.773 -6.537 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.155 -7.427 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.019 -8.768 5.284 1.00 0.00 H new ATOM 417 N SER A 48 14.330 -5.240 0.180 1.00 0.00 N ATOM 418 CA SER A 48 15.790 -5.200 0.040 1.00 0.00 C ATOM 419 C SER A 48 16.470 -4.100 0.870 1.00 0.00 C ATOM 420 O SER A 48 15.910 -3.040 1.160 1.00 0.00 O ATOM 421 CB SER A 48 16.180 -5.060 -1.430 1.00 0.00 C ATOM 422 OG SER A 48 15.490 -3.940 -2.000 1.00 0.00 O ATOM 0 H SER A 48 13.845 -5.454 -0.691 1.00 0.00 H new ATOM 0 HA SER A 48 16.151 -6.148 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 48 17.257 -4.922 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.929 -5.971 -1.973 1.00 0.00 H new ATOM 0 HG SER A 48 15.740 -3.847 -2.943 1.00 0.00 H new ATOM 425 N TYR A 49 17.670 -4.450 1.320 1.00 0.00 N ATOM 426 CA TYR A 49 18.450 -3.590 2.220 1.00 0.00 C ATOM 427 C TYR A 49 19.560 -2.860 1.480 1.00 0.00 C ATOM 428 O TYR A 49 20.230 -3.440 0.640 1.00 0.00 O ATOM 429 CB TYR A 49 19.030 -4.420 3.380 1.00 0.00 C ATOM 430 CG TYR A 49 19.700 -3.590 4.490 1.00 0.00 C ATOM 431 CD1 TYR A 49 19.390 -2.230 4.700 1.00 0.00 C ATOM 432 CD2 TYR A 49 20.630 -4.250 5.330 1.00 0.00 C ATOM 433 CE1 TYR A 49 19.990 -1.500 5.740 1.00 0.00 C ATOM 434 CE2 TYR A 49 21.250 -3.530 6.370 1.00 0.00 C ATOM 435 CZ TYR A 49 20.910 -2.170 6.560 1.00 0.00 C ATOM 436 OH TYR A 49 21.520 -1.460 7.540 1.00 0.00 O ATOM 0 H TYR A 49 18.131 -5.327 1.078 1.00 0.00 H new ATOM 0 HA TYR A 49 17.776 -2.835 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 49 18.229 -5.013 3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 49 19.761 -5.121 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 49 18.679 -1.741 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 49 20.861 -5.294 5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 49 19.751 -0.459 5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 49 21.974 -4.009 7.013 1.00 0.00 H new ATOM 0 HH TYR A 49 22.132 -2.044 8.035 1.00 0.00 H new ATOM 439 N GLY A 50 19.580 -1.550 1.700 1.00 0.00 N ATOM 440 CA GLY A 50 20.580 -0.670 1.070 1.00 0.00 C ATOM 441 C GLY A 50 20.150 -0.210 -0.330 1.00 0.00 C ATOM 442 O GLY A 50 20.590 0.830 -0.790 1.00 0.00 O ATOM 0 H GLY A 50 18.919 -1.066 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.743 0.202 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.532 -1.196 1.001 1.00 0.00 H new ATOM 444 N TYR A 51 19.200 -0.940 -0.910 1.00 0.00 N ATOM 445 CA TYR A 51 18.600 -0.630 -2.220 1.00 0.00 C ATOM 446 C TYR A 51 17.760 0.660 -2.190 1.00 0.00 C ATOM 447 O TYR A 51 17.210 1.080 -3.210 1.00 0.00 O ATOM 448 CB TYR A 51 17.710 -1.810 -2.610 1.00 0.00 C ATOM 449 CG TYR A 51 17.600 -2.020 -4.120 1.00 0.00 C ATOM 450 CD1 TYR A 51 16.590 -1.360 -4.860 1.00 0.00 C ATOM 451 CD2 TYR A 51 18.540 -2.870 -4.740 1.00 0.00 C ATOM 452 CE1 TYR A 51 16.540 -1.530 -6.260 1.00 0.00 C ATOM 453 CE2 TYR A 51 18.490 -3.050 -6.130 1.00 0.00 C ATOM 454 CZ TYR A 51 17.500 -2.370 -6.880 1.00 0.00 C ATOM 455 OH TYR A 51 17.490 -2.490 -8.230 1.00 0.00 O ATOM 0 H TYR A 51 18.814 -1.781 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 51 19.399 -0.470 -2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 51 18.104 -2.718 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.712 -1.653 -2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.866 -0.734 -4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 51 19.290 -3.377 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.785 -1.030 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 51 19.198 -3.700 -6.623 1.00 0.00 H new ATOM 0 HH TYR A 51 18.206 -3.098 -8.510 1.00 0.00 H new ATOM 458 N TYR A 52 17.540 1.190 -1.000 1.00 0.00 N ATOM 459 CA TYR A 52 16.750 2.400 -0.770 1.00 0.00 C ATOM 460 C TYR A 52 17.590 3.430 -0.040 1.00 0.00 C ATOM 461 O TYR A 52 18.390 3.060 0.810 1.00 0.00 O ATOM 462 CB TYR A 52 15.650 2.040 0.190 1.00 0.00 C ATOM 463 CG TYR A 52 14.430 1.390 -0.420 1.00 0.00 C ATOM 464 CD1 TYR A 52 14.490 0.090 -0.940 1.00 0.00 C ATOM 465 CD2 TYR A 52 13.270 2.180 -0.410 1.00 0.00 C ATOM 466 CE1 TYR A 52 13.320 -0.440 -1.520 1.00 0.00 C ATOM 467 CE2 TYR A 52 12.110 1.640 -0.970 1.00 0.00 C ATOM 468 CZ TYR A 52 12.150 0.350 -1.520 1.00 0.00 C ATOM 469 OH TYR A 52 11.030 -0.100 -2.130 1.00 0.00 O ATOM 0 H TYR A 52 17.913 0.785 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 52 16.391 2.784 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 52 16.058 1.367 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 52 15.335 2.946 0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.402 -0.486 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.274 3.172 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.319 -1.429 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.192 2.209 -0.980 1.00 0.00 H new ATOM 0 HH TYR A 52 10.811 0.485 -2.885 1.00 0.00 H new ATOM 472 N HIS A 53 17.080 4.650 -0.130 1.00 0.00 N ATOM 473 CA HIS A 53 17.720 5.830 0.460 1.00 0.00 C ATOM 474 C HIS A 53 16.720 6.970 0.650 1.00 0.00 C ATOM 475 O HIS A 53 15.670 7.010 0.010 1.00 0.00 O ATOM 476 CB HIS A 53 18.890 6.300 -0.420 1.00 0.00 C ATOM 477 CG HIS A 53 20.030 5.290 -0.580 1.00 0.00 C ATOM 478 ND1 HIS A 53 20.140 4.410 -1.570 1.00 0.00 N ATOM 479 CD2 HIS A 53 21.060 5.110 0.240 1.00 0.00 C ATOM 480 CE1 HIS A 53 21.230 3.690 -1.370 1.00 0.00 C ATOM 481 NE2 HIS A 53 21.790 4.110 -0.240 1.00 0.00 N ATOM 0 H HIS A 53 16.207 4.856 -0.615 1.00 0.00 H new ATOM 0 HA HIS A 53 18.101 5.545 1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 53 18.504 6.548 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.296 7.219 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.266 5.676 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.599 2.902 -2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 53 22.635 3.729 0.185 1.00 0.00 H new ATOM 485 N GLU A 54 17.040 7.850 1.590 1.00 0.00 N ATOM 486 CA GLU A 54 16.200 9.020 1.920 1.00 0.00 C ATOM 487 C GLU A 54 16.880 10.310 1.490 1.00 0.00 C ATOM 488 O GLU A 54 18.100 10.460 1.640 1.00 0.00 O ATOM 489 CB GLU A 54 15.980 9.180 3.420 1.00 0.00 C ATOM 490 CG GLU A 54 15.130 8.030 3.950 1.00 0.00 C ATOM 491 CD GLU A 54 15.740 7.510 5.250 1.00 0.00 C ATOM 492 OE1 GLU A 54 16.640 6.660 5.130 1.00 0.00 O ATOM 493 OE2 GLU A 54 15.270 7.920 6.340 1.00 0.00 O ATOM 0 H GLU A 54 17.888 7.783 2.152 1.00 0.00 H new ATOM 0 HA GLU A 54 15.257 8.845 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.940 9.201 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.487 10.131 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.108 8.368 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.080 7.229 3.212 1.00 0.00 H new ATOM 495 N TYR A 55 16.030 11.210 1.010 1.00 0.00 N ATOM 496 CA TYR A 55 16.470 12.500 0.440 1.00 0.00 C ATOM 497 C TYR A 55 15.330 13.540 0.510 1.00 0.00 C ATOM 498 O TYR A 55 14.730 13.900 -0.510 1.00 0.00 O ATOM 499 CB TYR A 55 16.910 12.300 -1.010 1.00 0.00 C ATOM 500 CG TYR A 55 18.050 11.300 -1.210 1.00 0.00 C ATOM 501 CD1 TYR A 55 19.340 11.670 -0.820 1.00 0.00 C ATOM 502 CD2 TYR A 55 17.790 10.040 -1.780 1.00 0.00 C ATOM 503 CE1 TYR A 55 20.420 10.780 -0.980 1.00 0.00 C ATOM 504 CE2 TYR A 55 18.870 9.160 -1.970 1.00 0.00 C ATOM 505 CZ TYR A 55 20.170 9.520 -1.560 1.00 0.00 C ATOM 506 OH TYR A 55 21.190 8.630 -1.690 1.00 0.00 O ATOM 0 H TYR A 55 15.019 11.077 1.000 1.00 0.00 H new ATOM 0 HA TYR A 55 17.312 12.873 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.050 11.968 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.217 13.264 -1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.510 12.647 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 55 16.787 9.756 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 55 21.416 11.056 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 55 18.702 8.199 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 55 20.856 7.808 -2.107 1.00 0.00 H new ATOM 509 N THR A 56 14.970 13.940 1.730 1.00 0.00 N ATOM 510 CA THR A 56 13.930 14.990 1.920 1.00 0.00 C ATOM 511 C THR A 56 14.020 16.100 0.890 1.00 0.00 C ATOM 512 O THR A 56 15.050 16.750 0.700 1.00 0.00 O ATOM 513 CB THR A 56 13.930 15.570 3.350 1.00 0.00 C ATOM 514 OG1 THR A 56 13.070 14.740 4.100 1.00 0.00 O ATOM 515 CG2 THR A 56 13.490 17.020 3.560 1.00 0.00 C ATOM 0 H THR A 56 15.365 13.571 2.595 1.00 0.00 H new ATOM 0 HA THR A 56 12.977 14.483 1.769 1.00 0.00 H new ATOM 0 HB THR A 56 14.977 15.589 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.652 15.263 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.549 17.268 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.144 17.684 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.463 17.142 3.215 1.00 0.00 H new ATOM 518 N VAL A 57 12.890 16.250 0.220 1.00 0.00 N ATOM 519 CA VAL A 57 12.770 17.310 -0.770 1.00 0.00 C ATOM 520 C VAL A 57 12.440 18.620 -0.050 1.00 0.00 C ATOM 521 O VAL A 57 11.450 18.680 0.680 1.00 0.00 O ATOM 522 CB VAL A 57 11.800 16.890 -1.880 1.00 0.00 C ATOM 523 CG1 VAL A 57 10.320 17.230 -1.720 1.00 0.00 C ATOM 524 CG2 VAL A 57 12.320 17.570 -3.130 1.00 0.00 C ATOM 0 H VAL A 57 12.061 15.668 0.337 1.00 0.00 H new ATOM 0 HA VAL A 57 13.709 17.490 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 57 11.792 15.800 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.767 16.867 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.933 16.756 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.201 18.311 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.678 17.319 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.321 18.650 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.336 17.231 -3.333 1.00 0.00 H new ATOM 526 N ILE A 58 13.390 19.550 -0.120 1.00 0.00 N ATOM 527 CA ILE A 58 13.170 20.940 0.360 1.00 0.00 C ATOM 528 C ILE A 58 11.770 21.400 -0.060 1.00 0.00 C ATOM 529 O ILE A 58 11.330 21.040 -1.140 1.00 0.00 O ATOM 530 CB ILE A 58 14.290 21.880 -0.150 1.00 0.00 C ATOM 531 CG1 ILE A 58 15.300 22.030 0.970 1.00 0.00 C ATOM 532 CG2 ILE A 58 13.890 23.290 -0.610 1.00 0.00 C ATOM 533 CD1 ILE A 58 16.630 21.410 0.560 1.00 0.00 C ATOM 0 H ILE A 58 14.321 19.381 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 58 13.220 20.972 1.448 1.00 0.00 H new ATOM 0 HB ILE A 58 14.663 21.398 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 58 15.439 23.085 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.928 21.547 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 58 14.777 23.831 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 13.183 23.216 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 58 13.426 23.825 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.349 21.523 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.487 20.351 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.006 21.912 -0.331 1.00 0.00 H new ATOM 535 N THR A 59 11.210 22.290 0.750 1.00 0.00 N ATOM 536 CA THR A 59 9.860 22.850 0.510 1.00 0.00 C ATOM 537 C THR A 59 9.750 24.270 1.090 1.00 0.00 C ATOM 538 O THR A 59 10.380 24.560 2.110 1.00 0.00 O ATOM 539 CB THR A 59 8.800 21.850 1.030 1.00 0.00 C ATOM 540 OG1 THR A 59 8.860 20.720 0.160 1.00 0.00 O ATOM 541 CG2 THR A 59 7.360 22.370 0.990 1.00 0.00 C ATOM 0 H THR A 59 11.664 22.650 1.589 1.00 0.00 H new ATOM 0 HA THR A 59 9.671 22.973 -0.556 1.00 0.00 H new ATOM 0 HB THR A 59 9.029 21.641 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.131 20.771 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.686 21.604 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.279 23.265 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.089 22.612 -0.038 1.00 0.00 H new ATOM 544 N PRO A 60 9.120 25.200 0.350 1.00 0.00 N ATOM 545 CA PRO A 60 8.890 26.580 0.800 1.00 0.00 C ATOM 546 C PRO A 60 7.810 26.620 1.880 1.00 0.00 C ATOM 547 O PRO A 60 7.020 25.680 2.020 1.00 0.00 O ATOM 548 CB PRO A 60 8.470 27.350 -0.450 1.00 0.00 C ATOM 549 CG PRO A 60 7.770 26.300 -1.310 1.00 0.00 C ATOM 550 CD PRO A 60 8.560 25.030 -1.010 1.00 0.00 C ATOM 0 HA PRO A 60 9.780 27.020 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.802 28.176 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.331 27.778 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.719 26.194 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.805 26.557 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.917 24.151 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.354 24.884 -1.742 1.00 0.00 H new ATOM 551 N GLY A 61 7.940 27.630 2.740 1.00 0.00 N ATOM 552 CA GLY A 61 7.090 27.800 3.940 1.00 0.00 C ATOM 553 C GLY A 61 7.120 26.580 4.870 1.00 0.00 C ATOM 554 O GLY A 61 6.270 26.440 5.760 1.00 0.00 O ATOM 0 H GLY A 61 8.640 28.364 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.421 28.680 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.063 27.988 3.628 1.00 0.00 H new ATOM 556 N ALA A 62 8.170 25.770 4.730 1.00 0.00 N ATOM 557 CA ALA A 62 8.370 24.570 5.540 1.00 0.00 C ATOM 558 C ALA A 62 9.250 24.990 6.710 1.00 0.00 C ATOM 559 O ALA A 62 10.470 25.080 6.600 1.00 0.00 O ATOM 560 CB ALA A 62 9.010 23.460 4.710 1.00 0.00 C ATOM 0 H ALA A 62 8.910 25.930 4.047 1.00 0.00 H new ATOM 0 HA ALA A 62 7.425 24.164 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.150 22.576 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.361 23.214 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.976 23.797 4.335 1.00 0.00 H new ATOM 562 N ARG A 63 8.570 25.460 7.760 1.00 0.00 N ATOM 563 CA ARG A 63 9.210 25.890 9.020 1.00 0.00 C ATOM 564 C ARG A 63 10.290 24.910 9.500 1.00 0.00 C ATOM 565 O ARG A 63 11.230 25.280 10.200 1.00 0.00 O ATOM 566 CB ARG A 63 8.200 26.070 10.150 1.00 0.00 C ATOM 567 CG ARG A 63 7.370 27.330 9.910 1.00 0.00 C ATOM 568 CD ARG A 63 5.880 26.990 9.810 1.00 0.00 C ATOM 569 NE ARG A 63 5.270 27.870 8.800 1.00 0.00 N ATOM 570 CZ ARG A 63 3.970 28.180 8.710 1.00 0.00 C ATOM 571 NH1 ARG A 63 3.090 27.750 9.600 1.00 0.00 N ATOM 572 NH2 ARG A 63 3.550 28.940 7.710 1.00 0.00 N ATOM 0 H ARG A 63 7.555 25.556 7.766 1.00 0.00 H new ATOM 0 HA ARG A 63 9.672 26.848 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.547 25.199 10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.719 26.143 11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.532 28.038 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.699 27.818 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.747 25.944 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.394 27.127 10.776 1.00 0.00 H new ATOM 0 HE ARG A 63 5.894 28.281 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.396 27.167 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.106 28.002 9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.215 29.284 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.562 29.181 7.633 1.00 0.00 H new ATOM 579 N THR A 64 10.060 23.650 9.160 1.00 0.00 N ATOM 580 CA THR A 64 10.970 22.540 9.470 1.00 0.00 C ATOM 581 C THR A 64 11.160 21.690 8.200 1.00 0.00 C ATOM 582 O THR A 64 10.660 22.040 7.140 1.00 0.00 O ATOM 583 CB THR A 64 10.350 21.730 10.620 1.00 0.00 C ATOM 584 OG1 THR A 64 9.040 21.290 10.250 1.00 0.00 O ATOM 585 CG2 THR A 64 10.310 22.550 11.910 1.00 0.00 C ATOM 0 H THR A 64 9.225 23.358 8.653 1.00 0.00 H new ATOM 0 HA THR A 64 11.952 22.893 9.784 1.00 0.00 H new ATOM 0 HB THR A 64 10.973 20.856 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.649 20.773 10.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.867 21.953 12.707 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.324 22.835 12.191 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.711 23.447 11.753 1.00 0.00 H new ATOM 588 N ARG A 65 11.810 20.540 8.380 1.00 0.00 N ATOM 589 CA ARG A 65 12.000 19.540 7.300 1.00 0.00 C ATOM 590 C ARG A 65 10.710 19.250 6.520 1.00 0.00 C ATOM 591 O ARG A 65 10.760 19.000 5.310 1.00 0.00 O ATOM 592 CB ARG A 65 12.500 18.240 7.900 1.00 0.00 C ATOM 593 CG ARG A 65 13.860 17.950 7.280 1.00 0.00 C ATOM 594 CD ARG A 65 14.120 16.450 7.210 1.00 0.00 C ATOM 595 NE ARG A 65 14.510 15.850 8.500 1.00 0.00 N ATOM 596 CZ ARG A 65 15.680 16.010 9.110 1.00 0.00 C ATOM 597 NH1 ARG A 65 16.640 16.770 8.590 1.00 0.00 N ATOM 598 NH2 ARG A 65 15.920 15.410 10.260 1.00 0.00 N ATOM 0 H ARG A 65 12.223 20.265 9.271 1.00 0.00 H new ATOM 0 HA ARG A 65 12.724 19.962 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.581 18.323 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.803 17.428 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.906 18.378 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.642 18.431 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.221 15.952 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.907 16.261 6.480 1.00 0.00 H new ATOM 0 HE ARG A 65 13.820 15.260 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.487 17.247 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.529 16.875 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.206 14.819 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.820 15.537 10.723 1.00 0.00 H new ATOM 605 N GLY A 66 9.600 19.400 7.230 1.00 0.00 N ATOM 606 CA GLY A 66 8.250 19.170 6.710 1.00 0.00 C ATOM 607 C GLY A 66 8.130 17.690 6.410 1.00 0.00 C ATOM 608 O GLY A 66 9.090 16.970 6.130 1.00 0.00 O ATOM 0 H GLY A 66 9.609 19.692 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.500 19.477 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.079 19.760 5.809 1.00 0.00 H new ATOM 610 N THR A 67 6.910 17.230 6.570 1.00 0.00 N ATOM 611 CA THR A 67 6.500 15.870 6.200 1.00 0.00 C ATOM 612 C THR A 67 7.060 15.410 4.840 1.00 0.00 C ATOM 613 O THR A 67 7.270 14.220 4.590 1.00 0.00 O ATOM 614 CB THR A 67 4.970 15.860 6.220 1.00 0.00 C ATOM 615 OG1 THR A 67 4.490 16.990 5.500 1.00 0.00 O ATOM 616 CG2 THR A 67 4.400 15.800 7.630 1.00 0.00 C ATOM 0 H THR A 67 6.154 17.789 6.966 1.00 0.00 H new ATOM 0 HA THR A 67 6.912 15.154 6.911 1.00 0.00 H new ATOM 0 HB THR A 67 4.625 14.948 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.979 16.688 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.311 15.795 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.745 14.892 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.735 16.670 8.195 1.00 0.00 H new ATOM 619 N ARG A 68 7.260 16.380 3.970 1.00 0.00 N ATOM 620 CA ARG A 68 8.040 16.240 2.730 1.00 0.00 C ATOM 621 C ARG A 68 9.290 15.360 2.810 1.00 0.00 C ATOM 622 O ARG A 68 10.220 15.630 3.560 1.00 0.00 O ATOM 623 CB ARG A 68 8.410 17.610 2.170 1.00 0.00 C ATOM 624 CG ARG A 68 7.270 18.260 1.360 1.00 0.00 C ATOM 625 CD ARG A 68 6.660 17.400 0.240 1.00 0.00 C ATOM 626 NE ARG A 68 7.600 16.370 -0.260 1.00 0.00 N ATOM 627 CZ ARG A 68 7.310 15.100 -0.500 1.00 0.00 C ATOM 628 NH1 ARG A 68 6.070 14.690 -0.590 1.00 0.00 N ATOM 629 NH2 ARG A 68 8.250 14.250 -0.840 1.00 0.00 N ATOM 0 H ARG A 68 6.879 17.318 4.098 1.00 0.00 H new ATOM 0 HA ARG A 68 7.367 15.708 2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.685 18.270 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.289 17.510 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.474 18.539 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.646 19.183 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.757 16.914 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.359 18.045 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 68 8.560 16.666 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.304 15.353 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.870 13.707 -0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.217 14.565 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.014 13.275 -1.022 1.00 0.00 H new ATOM 636 N ARG A 69 9.210 14.290 2.020 1.00 0.00 N ATOM 637 CA ARG A 69 10.250 13.240 1.970 1.00 0.00 C ATOM 638 C ARG A 69 10.230 12.440 0.660 1.00 0.00 C ATOM 639 O ARG A 69 9.220 11.880 0.250 1.00 0.00 O ATOM 640 CB ARG A 69 10.050 12.250 3.120 1.00 0.00 C ATOM 641 CG ARG A 69 10.810 12.610 4.370 1.00 0.00 C ATOM 642 CD ARG A 69 12.180 11.930 4.370 1.00 0.00 C ATOM 643 NE ARG A 69 12.220 10.860 5.380 1.00 0.00 N ATOM 644 CZ ARG A 69 11.990 10.990 6.690 1.00 0.00 C ATOM 645 NH1 ARG A 69 11.720 12.160 7.260 1.00 0.00 N ATOM 646 NH2 ARG A 69 12.010 9.930 7.470 1.00 0.00 N ATOM 0 H ARG A 69 8.425 14.118 1.392 1.00 0.00 H new ATOM 0 HA ARG A 69 11.206 13.757 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.987 12.191 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.359 11.258 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.933 13.691 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.244 12.303 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.388 11.516 3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.958 12.665 4.578 1.00 0.00 H new ATOM 0 HE ARG A 69 12.446 9.923 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.682 13.007 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.551 12.211 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.201 9.009 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.834 10.029 8.470 1.00 0.00 H new ATOM 653 N ILE A 70 11.440 12.260 0.150 1.00 0.00 N ATOM 654 CA ILE A 70 11.660 11.470 -1.070 1.00 0.00 C ATOM 655 C ILE A 70 12.450 10.220 -0.700 1.00 0.00 C ATOM 656 O ILE A 70 13.420 10.280 0.060 1.00 0.00 O ATOM 657 CB ILE A 70 12.310 12.330 -2.160 1.00 0.00 C ATOM 658 CG1 ILE A 70 11.170 13.040 -2.910 1.00 0.00 C ATOM 659 CG2 ILE A 70 13.230 11.550 -3.130 1.00 0.00 C ATOM 660 CD1 ILE A 70 11.580 14.020 -4.010 1.00 0.00 C ATOM 0 H ILE A 70 12.291 12.648 0.557 1.00 0.00 H new ATOM 0 HA ILE A 70 10.715 11.138 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 70 12.984 13.042 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.528 12.279 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.567 13.580 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.647 12.236 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 70 14.040 11.085 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.652 10.778 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.688 14.454 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.192 14.813 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.153 13.492 -4.772 1.00 0.00 H new ATOM 662 N ILE A 71 12.040 9.150 -1.360 1.00 0.00 N ATOM 663 CA ILE A 71 12.690 7.850 -1.160 1.00 0.00 C ATOM 664 C ILE A 71 13.090 7.300 -2.530 1.00 0.00 C ATOM 665 O ILE A 71 12.250 7.070 -3.380 1.00 0.00 O ATOM 666 CB ILE A 71 11.760 6.850 -0.440 1.00 0.00 C ATOM 667 CG1 ILE A 71 11.020 7.450 0.770 1.00 0.00 C ATOM 668 CG2 ILE A 71 12.560 5.600 -0.080 1.00 0.00 C ATOM 669 CD1 ILE A 71 11.920 8.100 1.830 1.00 0.00 C ATOM 0 H ILE A 71 11.272 9.146 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 71 13.567 7.986 -0.527 1.00 0.00 H new ATOM 0 HB ILE A 71 10.959 6.579 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.313 8.197 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.436 6.662 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 71 11.912 4.887 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.955 5.146 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.386 5.873 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.304 8.492 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.611 7.356 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.485 8.915 1.377 1.00 0.00 H new ATOM 671 N THR A 72 14.390 7.200 -2.730 1.00 0.00 N ATOM 672 CA THR A 72 14.930 6.670 -4.000 1.00 0.00 C ATOM 673 C THR A 72 15.370 5.210 -3.850 1.00 0.00 C ATOM 674 O THR A 72 15.500 4.700 -2.740 1.00 0.00 O ATOM 675 CB THR A 72 16.080 7.530 -4.480 1.00 0.00 C ATOM 676 OG1 THR A 72 16.930 7.710 -3.350 1.00 0.00 O ATOM 677 CG2 THR A 72 15.580 8.850 -5.040 1.00 0.00 C ATOM 0 H THR A 72 15.098 7.471 -2.047 1.00 0.00 H new ATOM 0 HA THR A 72 14.136 6.701 -4.746 1.00 0.00 H new ATOM 0 HB THR A 72 16.624 7.058 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 72 17.250 8.636 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.428 9.447 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 72 14.913 8.659 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.040 9.393 -4.265 1.00 0.00 H new ATOM 680 N GLY A 73 15.540 4.590 -5.010 1.00 0.00 N ATOM 681 CA GLY A 73 15.960 3.190 -5.130 1.00 0.00 C ATOM 682 C GLY A 73 17.340 3.120 -5.790 1.00 0.00 C ATOM 683 O GLY A 73 17.760 4.050 -6.470 1.00 0.00 O ATOM 0 H GLY A 73 15.389 5.047 -5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.993 2.725 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.234 2.632 -5.722 1.00 0.00 H new ATOM 685 N GLU A 74 17.960 1.950 -5.670 1.00 0.00 N ATOM 686 CA GLU A 74 19.260 1.650 -6.310 1.00 0.00 C ATOM 687 C GLU A 74 19.170 1.680 -7.850 1.00 0.00 C ATOM 688 O GLU A 74 20.180 1.730 -8.550 1.00 0.00 O ATOM 689 CB GLU A 74 19.760 0.290 -5.830 1.00 0.00 C ATOM 690 CG GLU A 74 21.220 -0.010 -6.170 1.00 0.00 C ATOM 691 CD GLU A 74 22.080 -0.110 -4.910 1.00 0.00 C ATOM 692 OE1 GLU A 74 21.970 0.790 -4.050 1.00 0.00 O ATOM 693 OE2 GLU A 74 22.820 -1.120 -4.820 1.00 0.00 O ATOM 0 H GLU A 74 17.583 1.173 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 74 19.967 2.426 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 74 19.634 0.233 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 74 19.132 -0.487 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.280 -0.945 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.612 0.774 -6.818 1.00 0.00 H new ATOM 695 N ALA A 75 17.940 1.600 -8.330 1.00 0.00 N ATOM 696 CA ALA A 75 17.620 1.730 -9.760 1.00 0.00 C ATOM 697 C ALA A 75 17.010 3.120 -9.970 1.00 0.00 C ATOM 698 O ALA A 75 16.110 3.550 -9.240 1.00 0.00 O ATOM 699 CB ALA A 75 16.650 0.630 -10.160 1.00 0.00 C ATOM 0 H ALA A 75 17.122 1.442 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 75 18.510 1.627 -10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.411 0.723 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.106 -0.342 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.736 0.719 -9.572 1.00 0.00 H new ATOM 701 N THR A 76 17.580 3.820 -10.940 1.00 0.00 N ATOM 702 CA THR A 76 17.060 5.130 -11.390 1.00 0.00 C ATOM 703 C THR A 76 15.600 4.930 -11.780 1.00 0.00 C ATOM 704 O THR A 76 15.220 3.850 -12.230 1.00 0.00 O ATOM 705 CB THR A 76 17.930 5.670 -12.540 1.00 0.00 C ATOM 706 OG1 THR A 76 19.200 5.990 -11.970 1.00 0.00 O ATOM 707 CG2 THR A 76 17.380 6.900 -13.270 1.00 0.00 C ATOM 0 H THR A 76 18.411 3.510 -11.443 1.00 0.00 H new ATOM 0 HA THR A 76 17.107 5.881 -10.602 1.00 0.00 H new ATOM 0 HB THR A 76 17.970 4.896 -13.307 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.793 6.338 -12.668 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.072 7.194 -14.059 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.411 6.660 -13.708 1.00 0.00 H new ATOM 0 HG23 THR A 76 17.265 7.722 -12.563 1.00 0.00 H new ATOM 710 N GLN A 77 14.810 5.980 -11.520 1.00 0.00 N ATOM 711 CA GLN A 77 13.350 6.080 -11.810 1.00 0.00 C ATOM 712 C GLN A 77 12.510 5.400 -10.700 1.00 0.00 C ATOM 713 O GLN A 77 11.420 4.880 -10.920 1.00 0.00 O ATOM 714 CB GLN A 77 12.950 5.510 -13.190 1.00 0.00 C ATOM 715 CG GLN A 77 13.970 5.800 -14.300 1.00 0.00 C ATOM 716 CD GLN A 77 13.380 6.440 -15.550 1.00 0.00 C ATOM 717 OE1 GLN A 77 12.470 7.350 -15.320 1.00 0.00 O flip ATOM 718 NE2 GLN A 77 13.780 6.200 -16.670 1.00 0.00 N flip ATOM 0 H GLN A 77 15.175 6.826 -11.083 1.00 0.00 H new ATOM 0 HA GLN A 77 13.133 7.148 -11.832 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.819 4.431 -13.103 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.985 5.926 -13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.744 6.456 -13.902 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.457 4.866 -14.581 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.491 5.483 -16.815 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.405 6.715 -17.467 1.00 0.00 H new ATOM 722 N GLU A 78 13.040 5.480 -9.480 1.00 0.00 N ATOM 723 CA GLU A 78 12.420 4.880 -8.280 1.00 0.00 C ATOM 724 C GLU A 78 12.440 5.820 -7.070 1.00 0.00 C ATOM 725 O GLU A 78 12.780 5.460 -5.950 1.00 0.00 O ATOM 726 CB GLU A 78 13.110 3.550 -7.980 1.00 0.00 C ATOM 727 CG GLU A 78 12.460 2.410 -8.770 1.00 0.00 C ATOM 728 CD GLU A 78 11.990 1.280 -7.840 1.00 0.00 C ATOM 729 OE1 GLU A 78 11.520 1.600 -6.730 1.00 0.00 O ATOM 730 OE2 GLU A 78 12.070 0.120 -8.280 1.00 0.00 O ATOM 0 H GLU A 78 13.917 5.964 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 78 11.365 4.702 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.168 3.618 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.052 3.338 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.611 2.795 -9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.172 2.015 -9.494 1.00 0.00 H new ATOM 732 N ASP A 79 12.050 7.050 -7.360 1.00 0.00 N ATOM 733 CA ASP A 79 11.970 8.140 -6.370 1.00 0.00 C ATOM 734 C ASP A 79 10.530 8.340 -5.940 1.00 0.00 C ATOM 735 O ASP A 79 9.750 8.920 -6.680 1.00 0.00 O ATOM 736 CB ASP A 79 12.570 9.460 -6.890 1.00 0.00 C ATOM 737 CG ASP A 79 12.640 9.620 -8.420 1.00 0.00 C ATOM 738 OD1 ASP A 79 11.700 9.180 -9.110 1.00 0.00 O ATOM 739 OD2 ASP A 79 13.710 10.060 -8.890 1.00 0.00 O ATOM 0 H ASP A 79 11.774 7.335 -8.299 1.00 0.00 H new ATOM 0 HA ASP A 79 12.570 7.844 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.984 10.285 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.579 9.559 -6.489 1.00 0.00 H new ATOM 741 N TYR A 80 10.160 7.590 -4.910 1.00 0.00 N ATOM 742 CA TYR A 80 8.850 7.680 -4.230 1.00 0.00 C ATOM 743 C TYR A 80 8.600 9.090 -3.690 1.00 0.00 C ATOM 744 O TYR A 80 9.510 9.930 -3.670 1.00 0.00 O ATOM 745 CB TYR A 80 8.840 6.670 -3.070 1.00 0.00 C ATOM 746 CG TYR A 80 9.170 5.240 -3.490 1.00 0.00 C ATOM 747 CD1 TYR A 80 8.120 4.410 -3.920 1.00 0.00 C ATOM 748 CD2 TYR A 80 10.500 4.770 -3.430 1.00 0.00 C ATOM 749 CE1 TYR A 80 8.410 3.080 -4.300 1.00 0.00 C ATOM 750 CE2 TYR A 80 10.800 3.440 -3.800 1.00 0.00 C ATOM 751 CZ TYR A 80 9.730 2.610 -4.220 1.00 0.00 C ATOM 752 OH TYR A 80 9.930 1.280 -4.380 1.00 0.00 O ATOM 0 H TYR A 80 10.770 6.880 -4.505 1.00 0.00 H new ATOM 0 HA TYR A 80 8.059 7.455 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.558 6.991 -2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.857 6.682 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.107 4.783 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.290 5.429 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.621 2.430 -4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.813 3.067 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 80 10.484 1.126 -5.174 1.00 0.00 H new ATOM 755 N TYR A 81 7.430 9.270 -3.100 1.00 0.00 N ATOM 756 CA TYR A 81 7.010 10.590 -2.600 1.00 0.00 C ATOM 757 C TYR A 81 5.940 10.470 -1.530 1.00 0.00 C ATOM 758 O TYR A 81 4.830 10.000 -1.780 1.00 0.00 O ATOM 759 CB TYR A 81 6.420 11.380 -3.770 1.00 0.00 C ATOM 760 CG TYR A 81 6.500 12.890 -3.610 1.00 0.00 C ATOM 761 CD1 TYR A 81 7.740 13.530 -3.840 1.00 0.00 C ATOM 762 CD2 TYR A 81 5.310 13.610 -3.360 1.00 0.00 C ATOM 763 CE1 TYR A 81 7.800 14.940 -3.770 1.00 0.00 C ATOM 764 CE2 TYR A 81 5.380 15.020 -3.290 1.00 0.00 C ATOM 765 CZ TYR A 81 6.630 15.660 -3.460 1.00 0.00 C ATOM 766 OH TYR A 81 6.740 16.980 -3.160 1.00 0.00 O ATOM 0 H TYR A 81 6.748 8.527 -2.951 1.00 0.00 H new ATOM 0 HA TYR A 81 7.880 11.086 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.941 11.095 -4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.376 11.095 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.624 12.952 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.370 13.095 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.730 15.458 -3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.489 15.602 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 81 5.852 17.347 -2.968 1.00 0.00 H new ATOM 769 N THR A 82 6.330 10.870 -0.330 1.00 0.00 N ATOM 770 CA THR A 82 5.410 10.870 0.820 1.00 0.00 C ATOM 771 C THR A 82 4.600 12.160 0.960 1.00 0.00 C ATOM 772 O THR A 82 3.470 12.260 0.480 1.00 0.00 O ATOM 773 CB THR A 82 6.030 10.350 2.150 1.00 0.00 C ATOM 774 OG1 THR A 82 5.440 10.950 3.300 1.00 0.00 O ATOM 775 CG2 THR A 82 7.550 10.320 2.210 1.00 0.00 C ATOM 0 H THR A 82 7.272 11.199 -0.117 1.00 0.00 H new ATOM 0 HA THR A 82 4.671 10.107 0.573 1.00 0.00 H new ATOM 0 HB THR A 82 5.762 9.294 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.498 10.687 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.868 9.941 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.932 9.670 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.940 11.328 2.069 1.00 0.00 H new ATOM 778 N GLY A 83 5.240 13.170 1.530 1.00 0.00 N ATOM 779 CA GLY A 83 4.610 14.460 1.850 1.00 0.00 C ATOM 780 C GLY A 83 3.770 14.450 3.110 1.00 0.00 C ATOM 781 O GLY A 83 3.260 15.480 3.540 1.00 0.00 O ATOM 0 H GLY A 83 6.225 13.125 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.389 15.215 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.982 14.762 1.012 1.00 0.00 H new ATOM 783 N ASP A 84 3.640 13.260 3.670 1.00 0.00 N ATOM 784 CA ASP A 84 2.990 13.040 4.960 1.00 0.00 C ATOM 785 C ASP A 84 3.940 12.390 5.980 1.00 0.00 C ATOM 786 O ASP A 84 3.480 11.940 7.020 1.00 0.00 O ATOM 787 CB ASP A 84 1.710 12.230 4.740 1.00 0.00 C ATOM 788 CG ASP A 84 0.540 13.030 4.180 1.00 0.00 C ATOM 789 OD1 ASP A 84 0.670 13.530 3.040 1.00 0.00 O ATOM 790 OD2 ASP A 84 -0.490 13.060 4.890 1.00 0.00 O ATOM 0 H ASP A 84 3.987 12.403 3.239 1.00 0.00 H new ATOM 0 HA ASP A 84 2.718 14.001 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.929 11.407 4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.409 11.787 5.689 1.00 0.00 H new ATOM 792 N HIS A 85 5.250 12.500 5.730 1.00 0.00 N ATOM 793 CA HIS A 85 6.350 11.970 6.570 1.00 0.00 C ATOM 794 C HIS A 85 6.210 10.470 6.730 1.00 0.00 C ATOM 795 O HIS A 85 5.480 9.980 7.580 1.00 0.00 O ATOM 796 CB HIS A 85 6.350 12.670 7.940 1.00 0.00 C ATOM 797 CG HIS A 85 7.700 12.530 8.640 1.00 0.00 C ATOM 798 ND1 HIS A 85 8.000 11.640 9.570 1.00 0.00 N ATOM 799 CD2 HIS A 85 8.730 13.350 8.480 1.00 0.00 C ATOM 800 CE1 HIS A 85 9.220 11.900 10.000 1.00 0.00 C ATOM 801 NE2 HIS A 85 9.670 12.950 9.330 1.00 0.00 N ATOM 0 H HIS A 85 5.596 12.982 4.900 1.00 0.00 H new ATOM 0 HA HIS A 85 7.302 12.173 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.114 13.726 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 85 5.568 12.244 8.568 1.00 0.00 H new ATOM 0 HD1 HIS A 85 7.396 10.886 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.793 14.181 7.793 1.00 0.00 H new ATOM 0 HE1 HIS A 85 9.756 11.354 10.762 1.00 0.00 H new ATOM 805 N TYR A 86 6.790 9.770 5.750 1.00 0.00 N ATOM 806 CA TYR A 86 6.660 8.310 5.670 1.00 0.00 C ATOM 807 C TYR A 86 5.220 7.790 5.800 1.00 0.00 C ATOM 808 O TYR A 86 4.900 6.900 6.570 1.00 0.00 O ATOM 809 CB TYR A 86 7.540 7.690 6.770 1.00 0.00 C ATOM 810 CG TYR A 86 9.020 7.590 6.430 1.00 0.00 C ATOM 811 CD1 TYR A 86 9.540 8.130 5.230 1.00 0.00 C ATOM 812 CD2 TYR A 86 9.820 6.900 7.360 1.00 0.00 C ATOM 813 CE1 TYR A 86 10.890 7.960 4.950 1.00 0.00 C ATOM 814 CE2 TYR A 86 11.190 6.740 7.090 1.00 0.00 C ATOM 815 CZ TYR A 86 11.690 7.260 5.870 1.00 0.00 C ATOM 816 OH TYR A 86 12.920 6.900 5.470 1.00 0.00 O ATOM 0 H TYR A 86 7.350 10.186 5.006 1.00 0.00 H new ATOM 0 HA TYR A 86 6.984 8.014 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.431 8.282 7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.166 6.691 6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.899 8.664 4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.388 6.500 8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.317 8.358 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 86 11.841 6.237 7.790 1.00 0.00 H new ATOM 0 HH TYR A 86 12.875 6.035 5.011 1.00 0.00 H new ATOM 819 N ALA A 87 4.290 8.480 5.160 1.00 0.00 N ATOM 820 CA ALA A 87 2.890 8.040 5.270 1.00 0.00 C ATOM 821 C ALA A 87 2.330 7.510 3.950 1.00 0.00 C ATOM 822 O ALA A 87 1.560 6.560 3.920 1.00 0.00 O ATOM 823 CB ALA A 87 2.010 9.110 5.900 1.00 0.00 C ATOM 0 H ALA A 87 4.454 9.306 4.585 1.00 0.00 H new ATOM 0 HA ALA A 87 2.881 7.189 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.984 8.747 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 87 2.376 9.340 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.038 10.011 5.288 1.00 0.00 H new ATOM 825 N THR A 88 2.820 8.100 2.870 1.00 0.00 N ATOM 826 CA THR A 88 2.420 7.760 1.490 1.00 0.00 C ATOM 827 C THR A 88 3.680 7.680 0.620 1.00 0.00 C ATOM 828 O THR A 88 4.780 7.930 1.110 1.00 0.00 O ATOM 829 CB THR A 88 1.480 8.840 0.970 1.00 0.00 C ATOM 830 OG1 THR A 88 2.060 10.100 1.300 1.00 0.00 O ATOM 831 CG2 THR A 88 0.090 8.710 1.590 1.00 0.00 C ATOM 0 H THR A 88 3.519 8.842 2.916 1.00 0.00 H new ATOM 0 HA THR A 88 1.905 6.800 1.462 1.00 0.00 H new ATOM 0 HB THR A 88 1.354 8.741 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.487 10.482 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.558 9.495 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.330 7.735 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.164 8.807 2.673 1.00 0.00 H new ATOM 834 N PHE A 89 3.550 7.130 -0.570 1.00 0.00 N ATOM 835 CA PHE A 89 4.700 6.890 -1.470 1.00 0.00 C ATOM 836 C PHE A 89 4.160 6.810 -2.900 1.00 0.00 C ATOM 837 O PHE A 89 3.280 6.010 -3.190 1.00 0.00 O ATOM 838 CB PHE A 89 5.440 5.590 -1.140 1.00 0.00 C ATOM 839 CG PHE A 89 5.990 5.570 0.290 1.00 0.00 C ATOM 840 CD1 PHE A 89 7.240 6.160 0.570 1.00 0.00 C ATOM 841 CD2 PHE A 89 5.180 5.060 1.340 1.00 0.00 C ATOM 842 CE1 PHE A 89 7.690 6.230 1.910 1.00 0.00 C ATOM 843 CE2 PHE A 89 5.620 5.150 2.670 1.00 0.00 C ATOM 844 CZ PHE A 89 6.880 5.730 2.950 1.00 0.00 C ATOM 0 H PHE A 89 2.654 6.831 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 89 5.413 7.705 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.763 4.747 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.262 5.456 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.848 6.555 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.227 4.604 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.652 6.666 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.001 4.779 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.225 5.790 3.972 1.00 0.00 H new ATOM 846 N SER A 90 4.500 7.840 -3.660 1.00 0.00 N ATOM 847 CA SER A 90 4.050 7.940 -5.060 1.00 0.00 C ATOM 848 C SER A 90 5.270 8.180 -5.940 1.00 0.00 C ATOM 849 O SER A 90 5.910 9.220 -5.830 1.00 0.00 O ATOM 850 CB SER A 90 3.070 9.100 -5.290 1.00 0.00 C ATOM 851 OG SER A 90 2.320 9.370 -4.100 1.00 0.00 O ATOM 0 H SER A 90 5.080 8.617 -3.344 1.00 0.00 H new ATOM 0 HA SER A 90 3.535 7.011 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.619 9.992 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.391 8.853 -6.106 1.00 0.00 H new ATOM 0 HG SER A 90 1.702 10.113 -4.264 1.00 0.00 H new ATOM 854 N LEU A 91 5.680 7.150 -6.680 1.00 0.00 N ATOM 855 CA LEU A 91 6.840 7.230 -7.590 1.00 0.00 C ATOM 856 C LEU A 91 6.850 8.530 -8.420 1.00 0.00 C ATOM 857 O LEU A 91 5.830 9.180 -8.560 1.00 0.00 O ATOM 858 CB LEU A 91 6.870 6.030 -8.550 1.00 0.00 C ATOM 859 CG LEU A 91 7.270 4.710 -7.880 1.00 0.00 C ATOM 860 CD1 LEU A 91 7.270 3.600 -8.930 1.00 0.00 C ATOM 861 CD2 LEU A 91 8.690 4.820 -7.310 1.00 0.00 C ATOM 0 H LEU A 91 5.225 6.237 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 91 7.725 7.221 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.885 5.913 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.569 6.242 -9.360 1.00 0.00 H new ATOM 0 HG LEU A 91 6.563 4.491 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.553 2.657 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.273 3.506 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.984 3.844 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.966 3.878 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.390 5.039 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.725 5.621 -6.572 1.00 0.00 H new ATOM 863 N ILE A 92 7.980 8.910 -8.990 1.00 0.00 N ATOM 864 CA ILE A 92 8.050 10.150 -9.780 1.00 0.00 C ATOM 865 C ILE A 92 8.240 9.790 -11.250 1.00 0.00 C ATOM 866 O ILE A 92 9.160 9.080 -11.640 1.00 0.00 O ATOM 867 CB ILE A 92 9.140 11.070 -9.190 1.00 0.00 C ATOM 868 CG1 ILE A 92 8.620 11.960 -8.060 1.00 0.00 C ATOM 869 CG2 ILE A 92 9.780 12.020 -10.210 1.00 0.00 C ATOM 870 CD1 ILE A 92 8.130 11.280 -6.790 1.00 0.00 C ATOM 0 H ILE A 92 8.857 8.393 -8.929 1.00 0.00 H new ATOM 0 HA ILE A 92 7.123 10.721 -9.727 1.00 0.00 H new ATOM 0 HB ILE A 92 9.880 10.357 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.417 12.651 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.801 12.560 -8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.535 12.631 -9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.248 11.439 -11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.013 12.666 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.792 12.035 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.303 10.612 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.944 10.705 -6.348 1.00 0.00 H new ATOM 872 N ASP A 93 7.410 10.440 -12.060 1.00 0.00 N ATOM 873 CA ASP A 93 7.470 10.260 -13.520 1.00 0.00 C ATOM 874 C ASP A 93 8.010 11.550 -14.130 1.00 0.00 C ATOM 875 O ASP A 93 7.240 12.480 -14.350 1.00 0.00 O ATOM 876 CB ASP A 93 6.070 9.930 -14.030 1.00 0.00 C ATOM 877 CG ASP A 93 6.090 8.730 -14.980 1.00 0.00 C ATOM 878 OD1 ASP A 93 6.640 7.680 -14.590 1.00 0.00 O ATOM 879 OD2 ASP A 93 5.550 8.910 -16.090 1.00 0.00 O ATOM 0 H ASP A 93 6.692 11.091 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 93 8.130 9.439 -13.801 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.414 9.717 -13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.655 10.797 -14.545 1.00 0.00 H new ATOM 881 N GLN A 94 9.320 11.580 -14.360 1.00 0.00 N ATOM 882 CA GLN A 94 9.990 12.770 -14.940 1.00 0.00 C ATOM 883 C GLN A 94 9.390 13.160 -16.300 1.00 0.00 C ATOM 884 O GLN A 94 9.140 14.330 -16.560 1.00 0.00 O ATOM 885 CB GLN A 94 11.500 12.610 -15.100 1.00 0.00 C ATOM 886 CG GLN A 94 12.210 12.000 -13.880 1.00 0.00 C ATOM 887 CD GLN A 94 12.700 10.580 -14.200 1.00 0.00 C ATOM 888 OE1 GLN A 94 12.550 10.080 -15.310 1.00 0.00 O ATOM 889 NE2 GLN A 94 13.210 9.880 -13.210 1.00 0.00 N ATOM 0 H GLN A 94 9.949 10.802 -14.159 1.00 0.00 H new ATOM 0 HA GLN A 94 9.812 13.563 -14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.696 11.983 -15.970 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.936 13.587 -15.307 1.00 0.00 H new ATOM 0 HG2 GLN A 94 13.054 12.626 -13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.528 11.973 -13.030 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.330 10.308 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.486 8.910 -13.361 1.00 0.00 H new ATOM 893 N THR A 95 9.030 12.130 -17.070 1.00 0.00 N ATOM 894 CA THR A 95 8.320 12.260 -18.360 1.00 0.00 C ATOM 895 C THR A 95 6.980 12.990 -18.220 1.00 0.00 C ATOM 896 O THR A 95 6.690 13.960 -18.930 1.00 0.00 O ATOM 897 CB THR A 95 8.130 10.900 -19.060 1.00 0.00 C ATOM 898 OG1 THR A 95 7.300 11.070 -20.210 1.00 0.00 O ATOM 899 CG2 THR A 95 7.580 9.780 -18.170 1.00 0.00 C ATOM 0 H THR A 95 9.224 11.161 -16.816 1.00 0.00 H new ATOM 0 HA THR A 95 8.962 12.873 -18.993 1.00 0.00 H new ATOM 0 HB THR A 95 9.130 10.569 -19.341 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.180 10.206 -20.657 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.483 8.865 -18.755 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.263 9.608 -17.338 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.603 10.069 -17.783 1.00 0.00 H new ATOM 902 N CYS A 96 6.210 12.610 -17.210 1.00 0.00 N ATOM 903 CA CYS A 96 4.950 13.290 -16.890 1.00 0.00 C ATOM 904 C CYS A 96 5.200 14.520 -15.990 1.00 0.00 C ATOM 905 O CYS A 96 6.330 14.670 -15.490 1.00 0.00 O ATOM 906 CB CYS A 96 3.970 12.270 -16.290 1.00 0.00 C ATOM 907 SG CYS A 96 2.250 12.890 -16.260 1.00 0.00 S ATOM 908 OXT CYS A 96 4.240 15.270 -15.710 1.00 0.00 O ATOM 0 H CYS A 96 6.433 11.830 -16.591 1.00 0.00 H new ATOM 0 HA CYS A 96 4.491 13.687 -17.795 1.00 0.00 H new ATOM 0 HB2 CYS A 96 4.011 11.347 -16.869 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.282 12.024 -15.275 1.00 0.00 H new TER 910 CYS A 96