USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 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 39 ASN : amide:sc= -4.54! C(o=-4.1!,f=-8.3!) USER MOD Set 1.2: A 46 THR OG1 : rot -62:sc= 0.962 USER MOD Set 1.3: A 52 TYR OH : rot -15:sc= -1.5! USER MOD Set 1.4: A 80 TYR OH : rot 117:sc= 0.958 USER MOD Set 2.1: A 32 GLN : amide:sc= -4.73 K(o=-4.9,f=-6.3!) USER MOD Set 2.2: A 56 THR OG1 : rot -85:sc= -0.161 USER MOD Single : A 1 ASP N :NH3+ -166:sc= -2.2! (180deg=-2.8!) 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 -18:sc= 0.0726 USER MOD Single : A 16 THR OG1 : rot 174:sc= -3.53! USER MOD Single : A 18 THR OG1 : rot -139:sc= -0.991 USER MOD Single : A 20 ASN : amide:sc=-0.00676 X(o=-0.0068,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= -0.0889 X(o=-0.089,f=0.15) USER MOD Single : A 42 SER OG : rot -51:sc= 0.315 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 48 SER OG : rot 180:sc= -0.421 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -140:sc= 0.351 USER MOD Single : A 53 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 45:sc= 0.317 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 67 THR OG1 : rot 113:sc= 0.661 USER MOD Single : A 72 THR OG1 : rot -141:sc= 0.814 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0533 K(o=-0.053,f=-1.2) USER MOD Single : A 81 TYR OH : rot 15:sc= -1.55! USER MOD Single : A 82 THR OG1 : rot 87:sc= 0.0848 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -94:sc= 1.85 USER MOD Single : A 88 THR OG1 : rot 93:sc= 0.0444 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.00495 K(o=0.0049,f=-1.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.230 0.000 0.020 1.00 0.00 N ATOM 2 CA ASP A 1 2.040 0.060 -1.210 1.00 0.00 C ATOM 3 C ASP A 1 3.510 0.410 -0.920 1.00 0.00 C ATOM 4 O ASP A 1 3.880 0.800 0.180 1.00 0.00 O ATOM 5 CB ASP A 1 1.420 1.030 -2.220 1.00 0.00 C ATOM 6 CG ASP A 1 1.110 2.400 -1.620 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.050 3.220 -1.570 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.050 2.580 -1.190 1.00 0.00 O ATOM 0 H1 ASP A 1 0.321 -0.463 -0.185 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.740 -0.544 0.745 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.056 0.964 0.369 1.00 0.00 H new ATOM 0 HA ASP A 1 2.039 -0.937 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.101 1.154 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.501 0.596 -2.615 1.00 0.00 H new ATOM 12 N VAL A 2 4.340 0.210 -1.950 1.00 0.00 N ATOM 13 CA VAL A 2 5.780 0.480 -1.860 1.00 0.00 C ATOM 14 C VAL A 2 5.950 2.000 -1.740 1.00 0.00 C ATOM 15 O VAL A 2 5.680 2.740 -2.690 1.00 0.00 O ATOM 16 CB VAL A 2 6.550 -0.040 -3.080 1.00 0.00 C ATOM 17 CG1 VAL A 2 8.000 -0.280 -2.700 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.000 -1.370 -3.630 1.00 0.00 C ATOM 0 H VAL A 2 4.038 -0.139 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 2 6.189 -0.040 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 2 6.443 0.723 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.547 -0.650 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.447 0.655 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.049 -1.018 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.591 -1.680 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.058 -2.136 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.961 -1.237 -3.932 1.00 0.00 H new ATOM 20 N SER A 3 6.390 2.440 -0.560 1.00 0.00 N ATOM 21 CA SER A 3 6.650 3.870 -0.290 1.00 0.00 C ATOM 22 C SER A 3 7.980 4.370 -0.870 1.00 0.00 C ATOM 23 O SER A 3 8.440 5.470 -0.600 1.00 0.00 O ATOM 24 CB SER A 3 6.590 4.150 1.210 1.00 0.00 C ATOM 25 OG SER A 3 7.560 3.350 1.900 1.00 0.00 O ATOM 0 H SER A 3 6.577 1.828 0.234 1.00 0.00 H new ATOM 0 HA SER A 3 5.862 4.424 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.779 5.207 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.592 3.932 1.589 1.00 0.00 H new ATOM 0 HG SER A 3 7.515 3.538 2.861 1.00 0.00 H new ATOM 28 N GLY A 4 8.530 3.540 -1.760 1.00 0.00 N ATOM 29 CA GLY A 4 9.790 3.770 -2.470 1.00 0.00 C ATOM 30 C GLY A 4 10.770 2.640 -2.160 1.00 0.00 C ATOM 31 O GLY A 4 10.410 1.550 -1.740 1.00 0.00 O ATOM 0 H GLY A 4 8.092 2.655 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.609 3.823 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.217 4.727 -2.171 1.00 0.00 H new ATOM 33 N THR A 5 12.020 2.950 -2.470 1.00 0.00 N ATOM 34 CA THR A 5 13.130 2.010 -2.320 1.00 0.00 C ATOM 35 C THR A 5 13.910 2.330 -1.040 1.00 0.00 C ATOM 36 O THR A 5 13.620 3.280 -0.320 1.00 0.00 O ATOM 37 CB THR A 5 13.990 2.120 -3.590 1.00 0.00 C ATOM 38 OG1 THR A 5 13.150 2.290 -4.730 1.00 0.00 O ATOM 39 CG2 THR A 5 14.770 0.840 -3.870 1.00 0.00 C ATOM 0 H THR A 5 12.298 3.862 -2.834 1.00 0.00 H new ATOM 0 HA THR A 5 12.786 0.981 -2.216 1.00 0.00 H new ATOM 0 HB THR A 5 14.665 2.959 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.703 2.361 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.362 0.966 -4.776 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.432 0.626 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 5 14.074 0.012 -4.003 1.00 0.00 H new ATOM 42 N VAL A 6 14.820 1.430 -0.710 1.00 0.00 N ATOM 43 CA VAL A 6 15.600 1.500 0.530 1.00 0.00 C ATOM 44 C VAL A 6 17.020 1.030 0.220 1.00 0.00 C ATOM 45 O VAL A 6 17.240 -0.060 -0.320 1.00 0.00 O ATOM 46 CB VAL A 6 14.850 0.710 1.640 1.00 0.00 C ATOM 47 CG1 VAL A 6 14.870 -0.810 1.490 1.00 0.00 C ATOM 48 CG2 VAL A 6 15.350 1.130 3.020 1.00 0.00 C ATOM 0 H VAL A 6 15.045 0.623 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 6 15.699 2.512 0.922 1.00 0.00 H new ATOM 0 HB VAL A 6 13.801 0.980 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.320 -1.264 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.403 -1.089 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.901 -1.163 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.816 0.569 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.418 0.925 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.174 2.196 3.162 1.00 0.00 H new ATOM 50 N CYS A 7 17.880 2.030 0.210 1.00 0.00 N ATOM 51 CA CYS A 7 19.320 1.820 -0.030 1.00 0.00 C ATOM 52 C CYS A 7 19.800 0.640 0.810 1.00 0.00 C ATOM 53 O CYS A 7 19.410 0.480 1.960 1.00 0.00 O ATOM 54 CB CYS A 7 20.080 3.090 0.370 1.00 0.00 C ATOM 55 SG CYS A 7 19.520 4.550 -0.590 1.00 0.00 S ATOM 0 H CYS A 7 17.619 3.004 0.364 1.00 0.00 H new ATOM 0 HA CYS A 7 19.500 1.606 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 7 19.938 3.279 1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 7 21.148 2.939 0.213 1.00 0.00 H new ATOM 57 N LEU A 8 20.460 -0.290 0.150 1.00 0.00 N ATOM 58 CA LEU A 8 20.990 -1.490 0.810 1.00 0.00 C ATOM 59 C LEU A 8 21.870 -1.160 2.030 1.00 0.00 C ATOM 60 O LEU A 8 21.620 -1.680 3.110 1.00 0.00 O ATOM 61 CB LEU A 8 21.730 -2.310 -0.230 1.00 0.00 C ATOM 62 CG LEU A 8 21.940 -3.750 0.210 1.00 0.00 C ATOM 63 CD1 LEU A 8 20.650 -4.500 0.530 1.00 0.00 C ATOM 64 CD2 LEU A 8 22.640 -4.430 -0.960 1.00 0.00 C ATOM 0 H LEU A 8 20.649 -0.247 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 8 20.163 -2.072 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.170 -2.297 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.697 -1.850 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 8 22.513 -3.760 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.888 -5.519 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.125 -3.992 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.015 -4.526 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.825 -5.476 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 8 22.008 -4.371 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 8 23.588 -3.930 -1.157 1.00 0.00 H new ATOM 66 N SER A 9 22.630 -0.070 1.890 1.00 0.00 N ATOM 67 CA SER A 9 23.430 0.530 2.980 1.00 0.00 C ATOM 68 C SER A 9 22.560 1.090 4.130 1.00 0.00 C ATOM 69 O SER A 9 23.030 1.280 5.250 1.00 0.00 O ATOM 70 CB SER A 9 24.340 1.630 2.430 1.00 0.00 C ATOM 71 OG SER A 9 25.210 2.090 3.460 1.00 0.00 O ATOM 0 H SER A 9 22.713 0.433 1.007 1.00 0.00 H new ATOM 0 HA SER A 9 24.035 -0.274 3.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.923 1.249 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.740 2.457 2.051 1.00 0.00 H new ATOM 0 HG SER A 9 24.850 1.828 4.333 1.00 0.00 H new ATOM 74 N ALA A 10 21.280 1.340 3.840 1.00 0.00 N ATOM 75 CA ALA A 10 20.300 1.790 4.850 1.00 0.00 C ATOM 76 C ALA A 10 19.790 0.620 5.710 1.00 0.00 C ATOM 77 O ALA A 10 19.450 0.790 6.880 1.00 0.00 O ATOM 78 CB ALA A 10 19.120 2.480 4.150 1.00 0.00 C ATOM 0 H ALA A 10 20.888 1.239 2.904 1.00 0.00 H new ATOM 0 HA ALA A 10 20.800 2.495 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 10 18.398 2.811 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 10 19.483 3.341 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.641 1.778 3.468 1.00 0.00 H new ATOM 80 N LEU A 11 19.720 -0.560 5.100 1.00 0.00 N ATOM 81 CA LEU A 11 19.280 -1.820 5.730 1.00 0.00 C ATOM 82 C LEU A 11 20.460 -2.480 6.490 1.00 0.00 C ATOM 83 O LEU A 11 21.600 -2.030 6.350 1.00 0.00 O ATOM 84 CB LEU A 11 18.850 -2.730 4.580 1.00 0.00 C ATOM 85 CG LEU A 11 17.770 -2.140 3.700 1.00 0.00 C ATOM 86 CD1 LEU A 11 17.920 -2.790 2.330 1.00 0.00 C ATOM 87 CD2 LEU A 11 16.370 -2.350 4.280 1.00 0.00 C ATOM 0 H LEU A 11 19.975 -0.679 4.120 1.00 0.00 H new ATOM 0 HA LEU A 11 18.475 -1.647 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.721 -2.958 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.494 -3.675 4.991 1.00 0.00 H new ATOM 0 HG LEU A 11 17.887 -1.059 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.160 -2.396 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.910 -2.571 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.798 -3.869 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.630 -1.909 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.175 -3.417 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.306 -1.873 5.258 1.00 0.00 H new ATOM 89 N PRO A 12 20.230 -3.570 7.240 1.00 0.00 N ATOM 90 CA PRO A 12 21.320 -4.290 7.930 1.00 0.00 C ATOM 91 C PRO A 12 22.270 -5.060 6.970 1.00 0.00 C ATOM 92 O PRO A 12 21.910 -5.260 5.810 1.00 0.00 O ATOM 93 CB PRO A 12 20.560 -5.170 8.930 1.00 0.00 C ATOM 94 CG PRO A 12 19.230 -5.480 8.250 1.00 0.00 C ATOM 95 CD PRO A 12 18.910 -4.140 7.620 1.00 0.00 C ATOM 0 HA PRO A 12 22.030 -3.626 8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.112 -6.083 9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.408 -4.651 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.321 -6.274 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.466 -5.794 8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.265 -4.257 6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.386 -3.490 8.320 1.00 0.00 H new ATOM 96 N PRO A 13 23.420 -5.580 7.430 1.00 0.00 N ATOM 97 CA PRO A 13 24.350 -6.370 6.570 1.00 0.00 C ATOM 98 C PRO A 13 23.800 -7.750 6.140 1.00 0.00 C ATOM 99 O PRO A 13 24.180 -8.300 5.120 1.00 0.00 O ATOM 100 CB PRO A 13 25.640 -6.480 7.380 1.00 0.00 C ATOM 101 CG PRO A 13 25.190 -6.390 8.840 1.00 0.00 C ATOM 102 CD PRO A 13 23.960 -5.490 8.810 1.00 0.00 C ATOM 0 HA PRO A 13 24.504 -5.868 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.154 -7.421 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.335 -5.678 7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.951 -7.374 9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.973 -5.970 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.220 -5.816 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.223 -4.462 9.060 1.00 0.00 H new ATOM 103 N GLU A 14 22.760 -8.180 6.840 1.00 0.00 N ATOM 104 CA GLU A 14 22.000 -9.420 6.560 1.00 0.00 C ATOM 105 C GLU A 14 20.860 -9.220 5.540 1.00 0.00 C ATOM 106 O GLU A 14 20.220 -10.180 5.120 1.00 0.00 O ATOM 107 CB GLU A 14 21.500 -9.990 7.880 1.00 0.00 C ATOM 108 CG GLU A 14 20.790 -8.950 8.770 1.00 0.00 C ATOM 109 CD GLU A 14 21.680 -8.310 9.830 1.00 0.00 C ATOM 110 OE1 GLU A 14 22.920 -8.460 9.740 1.00 0.00 O ATOM 111 OE2 GLU A 14 21.120 -7.600 10.690 1.00 0.00 O ATOM 0 H GLU A 14 22.400 -7.670 7.646 1.00 0.00 H new ATOM 0 HA GLU A 14 22.670 -10.136 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.813 -10.811 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.343 -10.410 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.382 -8.164 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.946 -9.430 9.265 1.00 0.00 H new ATOM 113 N ALA A 15 20.770 -8.000 5.030 1.00 0.00 N ATOM 114 CA ALA A 15 19.810 -7.610 3.980 1.00 0.00 C ATOM 115 C ALA A 15 20.250 -8.110 2.600 1.00 0.00 C ATOM 116 O ALA A 15 19.590 -8.980 2.030 1.00 0.00 O ATOM 117 CB ALA A 15 19.570 -6.100 3.970 1.00 0.00 C ATOM 0 H ALA A 15 21.369 -7.232 5.333 1.00 0.00 H new ATOM 0 HA ALA A 15 18.862 -8.092 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.858 -5.850 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.170 -5.789 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 15 20.512 -5.583 3.784 1.00 0.00 H new ATOM 119 N THR A 16 21.480 -7.730 2.230 1.00 0.00 N ATOM 120 CA THR A 16 22.140 -8.210 0.990 1.00 0.00 C ATOM 121 C THR A 16 22.170 -9.740 0.900 1.00 0.00 C ATOM 122 O THR A 16 22.160 -10.290 -0.190 1.00 0.00 O ATOM 123 CB THR A 16 23.530 -7.580 0.800 1.00 0.00 C ATOM 124 OG1 THR A 16 23.590 -7.210 -0.580 1.00 0.00 O ATOM 125 CG2 THR A 16 24.760 -8.450 1.100 1.00 0.00 C ATOM 0 H THR A 16 22.051 -7.083 2.774 1.00 0.00 H new ATOM 0 HA THR A 16 21.527 -7.871 0.155 1.00 0.00 H new ATOM 0 HB THR A 16 23.599 -6.772 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.417 -6.712 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 16 25.667 -7.872 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 16 24.733 -8.771 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 16 24.754 -9.325 0.450 1.00 0.00 H new ATOM 128 N ASP A 17 22.200 -10.370 2.080 1.00 0.00 N ATOM 129 CA ASP A 17 22.220 -11.840 2.220 1.00 0.00 C ATOM 130 C ASP A 17 21.100 -12.470 1.400 1.00 0.00 C ATOM 131 O ASP A 17 21.390 -13.120 0.410 1.00 0.00 O ATOM 132 CB ASP A 17 22.070 -12.240 3.690 1.00 0.00 C ATOM 133 CG ASP A 17 22.420 -13.710 3.980 1.00 0.00 C ATOM 134 OD1 ASP A 17 22.680 -14.460 3.010 1.00 0.00 O ATOM 135 OD2 ASP A 17 22.430 -14.040 5.180 1.00 0.00 O ATOM 0 H ASP A 17 22.211 -9.876 2.972 1.00 0.00 H new ATOM 0 HA ASP A 17 23.178 -12.203 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 17 22.709 -11.599 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 17 21.043 -12.054 4.003 1.00 0.00 H new ATOM 137 N THR A 18 19.860 -12.080 1.680 1.00 0.00 N ATOM 138 CA THR A 18 18.710 -12.570 0.910 1.00 0.00 C ATOM 139 C THR A 18 18.850 -12.320 -0.600 1.00 0.00 C ATOM 140 O THR A 18 18.690 -13.240 -1.390 1.00 0.00 O ATOM 141 CB THR A 18 17.430 -11.980 1.490 1.00 0.00 C ATOM 142 OG1 THR A 18 17.200 -12.600 2.750 1.00 0.00 O ATOM 143 CG2 THR A 18 16.230 -12.170 0.600 1.00 0.00 C ATOM 0 H THR A 18 19.621 -11.430 2.429 1.00 0.00 H new ATOM 0 HA THR A 18 18.668 -13.655 1.005 1.00 0.00 H new ATOM 0 HB THR A 18 17.565 -10.903 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 18 16.244 -12.793 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.353 -11.727 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.409 -11.686 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.058 -13.235 0.443 1.00 0.00 H new ATOM 146 N LEU A 19 19.150 -11.090 -0.960 1.00 0.00 N ATOM 147 CA LEU A 19 19.340 -10.720 -2.380 1.00 0.00 C ATOM 148 C LEU A 19 20.420 -11.560 -3.070 1.00 0.00 C ATOM 149 O LEU A 19 20.200 -12.050 -4.170 1.00 0.00 O ATOM 150 CB LEU A 19 19.710 -9.250 -2.490 1.00 0.00 C ATOM 151 CG LEU A 19 18.880 -8.320 -1.600 1.00 0.00 C ATOM 152 CD1 LEU A 19 19.160 -6.950 -2.170 1.00 0.00 C ATOM 153 CD2 LEU A 19 17.360 -8.570 -1.600 1.00 0.00 C ATOM 0 H LEU A 19 19.271 -10.318 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 19 18.394 -10.915 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.763 -9.133 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.597 -8.936 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 19 19.162 -8.470 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.610 -6.200 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.228 -6.741 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.844 -6.918 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.874 -7.855 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.971 -8.449 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.158 -9.583 -1.252 1.00 0.00 H new ATOM 155 N ASN A 20 21.450 -11.900 -2.300 1.00 0.00 N ATOM 156 CA ASN A 20 22.530 -12.800 -2.710 1.00 0.00 C ATOM 157 C ASN A 20 22.000 -14.210 -2.900 1.00 0.00 C ATOM 158 O ASN A 20 22.290 -14.840 -3.900 1.00 0.00 O ATOM 159 CB ASN A 20 23.580 -12.870 -1.610 1.00 0.00 C ATOM 160 CG ASN A 20 25.000 -12.790 -2.160 1.00 0.00 C ATOM 161 OD1 ASN A 20 25.320 -13.210 -3.270 1.00 0.00 O ATOM 162 ND2 ASN A 20 25.860 -12.230 -1.350 1.00 0.00 N ATOM 0 H ASN A 20 21.562 -11.549 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 20 22.951 -12.418 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 20 23.419 -12.054 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 20 23.460 -13.800 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 20 26.835 -12.129 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.556 -11.894 -0.436 1.00 0.00 H new ATOM 166 N LEU A 21 21.060 -14.610 -2.060 1.00 0.00 N ATOM 167 CA LEU A 21 20.390 -15.900 -2.190 1.00 0.00 C ATOM 168 C LEU A 21 19.410 -15.900 -3.380 1.00 0.00 C ATOM 169 O LEU A 21 19.270 -16.920 -4.030 1.00 0.00 O ATOM 170 CB LEU A 21 19.630 -16.120 -0.890 1.00 0.00 C ATOM 171 CG LEU A 21 20.380 -16.010 0.440 1.00 0.00 C ATOM 172 CD1 LEU A 21 19.370 -16.000 1.590 1.00 0.00 C ATOM 173 CD2 LEU A 21 21.410 -17.120 0.620 1.00 0.00 C ATOM 0 H LEU A 21 20.738 -14.053 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 21 21.115 -16.693 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.809 -15.403 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.184 -17.114 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 21 20.939 -15.075 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.900 -15.922 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.699 -15.148 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.790 -16.923 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.914 -16.997 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.910 -18.088 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 21 22.143 -17.070 -0.185 1.00 0.00 H new ATOM 175 N ILE A 22 18.770 -14.790 -3.720 1.00 0.00 N ATOM 176 CA ILE A 22 17.960 -14.680 -4.960 1.00 0.00 C ATOM 177 C ILE A 22 18.840 -14.670 -6.220 1.00 0.00 C ATOM 178 O ILE A 22 18.490 -15.290 -7.230 1.00 0.00 O ATOM 179 CB ILE A 22 17.030 -13.450 -4.890 1.00 0.00 C ATOM 180 CG1 ILE A 22 15.900 -13.790 -3.940 1.00 0.00 C ATOM 181 CG2 ILE A 22 16.440 -12.970 -6.220 1.00 0.00 C ATOM 182 CD1 ILE A 22 16.040 -12.990 -2.650 1.00 0.00 C ATOM 0 H ILE A 22 18.787 -13.938 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 22 17.332 -15.568 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 22 17.650 -12.619 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.941 -13.571 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.910 -14.857 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.805 -12.102 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.248 -12.697 -6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.847 -13.769 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 22 15.222 -13.242 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 22 16.991 -13.230 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 22 16.007 -11.924 -2.877 1.00 0.00 H new ATOM 184 N ALA A 23 19.960 -13.960 -6.120 1.00 0.00 N ATOM 185 CA ALA A 23 20.940 -13.820 -7.210 1.00 0.00 C ATOM 186 C ALA A 23 21.740 -15.110 -7.450 1.00 0.00 C ATOM 187 O ALA A 23 21.850 -15.580 -8.570 1.00 0.00 O ATOM 188 CB ALA A 23 21.890 -12.650 -6.900 1.00 0.00 C ATOM 0 H ALA A 23 20.222 -13.457 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 23 20.388 -13.617 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 23 22.615 -12.547 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.315 -11.729 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.414 -12.845 -5.964 1.00 0.00 H new ATOM 190 N SER A 24 22.140 -15.740 -6.350 1.00 0.00 N ATOM 191 CA SER A 24 22.890 -17.010 -6.360 1.00 0.00 C ATOM 192 C SER A 24 21.950 -18.220 -6.250 1.00 0.00 C ATOM 193 O SER A 24 22.400 -19.360 -6.120 1.00 0.00 O ATOM 194 CB SER A 24 23.880 -17.020 -5.180 1.00 0.00 C ATOM 195 OG SER A 24 25.120 -17.600 -5.550 1.00 0.00 O ATOM 0 H SER A 24 21.955 -15.386 -5.411 1.00 0.00 H new ATOM 0 HA SER A 24 23.425 -17.085 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.043 -16.000 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 24 23.450 -17.577 -4.347 1.00 0.00 H new ATOM 0 HG SER A 24 25.728 -17.591 -4.781 1.00 0.00 H new ATOM 198 N ASP A 25 20.630 -17.970 -6.320 1.00 0.00 N ATOM 199 CA ASP A 25 19.570 -18.990 -6.180 1.00 0.00 C ATOM 200 C ASP A 25 19.850 -19.980 -5.030 1.00 0.00 C ATOM 201 O ASP A 25 19.550 -21.170 -5.080 1.00 0.00 O ATOM 202 CB ASP A 25 19.390 -19.700 -7.540 1.00 0.00 C ATOM 203 CG ASP A 25 17.920 -19.830 -7.930 1.00 0.00 C ATOM 204 OD1 ASP A 25 17.140 -20.380 -7.110 1.00 0.00 O ATOM 205 OD2 ASP A 25 17.590 -19.360 -9.030 1.00 0.00 O ATOM 0 H ASP A 25 20.260 -17.033 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 25 18.636 -18.499 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 25 19.922 -19.144 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 25 19.841 -20.691 -7.494 1.00 0.00 H new ATOM 207 N GLY A 26 20.410 -19.400 -3.970 1.00 0.00 N ATOM 208 CA GLY A 26 20.900 -20.120 -2.790 1.00 0.00 C ATOM 209 C GLY A 26 22.420 -20.310 -2.700 1.00 0.00 C ATOM 210 O GLY A 26 23.180 -19.570 -3.330 1.00 0.00 O ATOM 0 H GLY A 26 20.540 -18.391 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.567 -19.587 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 26 20.429 -21.103 -2.767 1.00 0.00 H new ATOM 212 N PRO A 27 22.830 -21.190 -1.770 1.00 0.00 N ATOM 213 CA PRO A 27 21.940 -21.910 -0.820 1.00 0.00 C ATOM 214 C PRO A 27 21.440 -20.990 0.290 1.00 0.00 C ATOM 215 O PRO A 27 22.120 -20.050 0.690 1.00 0.00 O ATOM 216 CB PRO A 27 22.780 -23.060 -0.280 1.00 0.00 C ATOM 217 CG PRO A 27 24.210 -22.540 -0.370 1.00 0.00 C ATOM 218 CD PRO A 27 24.230 -21.600 -1.580 1.00 0.00 C ATOM 0 HA PRO A 27 21.036 -22.275 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 22.508 -23.306 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.646 -23.966 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 27 24.494 -22.013 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 27 24.918 -23.359 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 27 24.872 -20.738 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 27 24.616 -22.105 -2.465 1.00 0.00 H new ATOM 219 N PHE A 28 20.170 -21.170 0.610 1.00 0.00 N ATOM 220 CA PHE A 28 19.490 -20.340 1.610 1.00 0.00 C ATOM 221 C PHE A 28 19.590 -20.950 3.010 1.00 0.00 C ATOM 222 O PHE A 28 19.440 -22.170 3.160 1.00 0.00 O ATOM 223 CB PHE A 28 18.030 -20.140 1.250 1.00 0.00 C ATOM 224 CG PHE A 28 17.770 -19.390 -0.060 1.00 0.00 C ATOM 225 CD1 PHE A 28 17.890 -20.050 -1.300 1.00 0.00 C ATOM 226 CD2 PHE A 28 17.200 -18.100 0.010 1.00 0.00 C ATOM 227 CE1 PHE A 28 17.490 -19.410 -2.490 1.00 0.00 C ATOM 228 CE2 PHE A 28 16.790 -17.460 -1.180 1.00 0.00 C ATOM 229 CZ PHE A 28 16.960 -18.110 -2.430 1.00 0.00 C ATOM 0 H PHE A 28 19.578 -21.888 0.192 1.00 0.00 H new ATOM 0 HA PHE A 28 19.993 -19.373 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 28 17.552 -21.118 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 28 17.545 -19.597 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 28 18.291 -21.052 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 28 17.079 -17.608 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.590 -19.914 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.347 -16.476 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.680 -17.602 -3.341 1.00 0.00 H new ATOM 231 N PRO A 29 19.900 -20.110 4.010 1.00 0.00 N ATOM 232 CA PRO A 29 20.070 -20.560 5.400 1.00 0.00 C ATOM 233 C PRO A 29 18.730 -20.830 6.080 1.00 0.00 C ATOM 234 O PRO A 29 18.450 -21.950 6.490 1.00 0.00 O ATOM 235 CB PRO A 29 20.910 -19.460 6.050 1.00 0.00 C ATOM 236 CG PRO A 29 20.680 -18.200 5.210 1.00 0.00 C ATOM 237 CD PRO A 29 20.210 -18.680 3.840 1.00 0.00 C ATOM 0 HA PRO A 29 20.574 -21.523 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 29 20.608 -19.299 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 29 21.965 -19.732 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.934 -17.555 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 29 21.597 -17.617 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 29 19.332 -18.125 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.983 -18.533 3.086 1.00 0.00 H new ATOM 238 N TYR A 30 17.870 -19.810 6.140 1.00 0.00 N ATOM 239 CA TYR A 30 16.510 -19.940 6.670 1.00 0.00 C ATOM 240 C TYR A 30 15.640 -20.840 5.800 1.00 0.00 C ATOM 241 O TYR A 30 15.920 -21.000 4.620 1.00 0.00 O ATOM 242 CB TYR A 30 15.880 -18.540 6.810 1.00 0.00 C ATOM 243 CG TYR A 30 16.210 -17.860 8.140 1.00 0.00 C ATOM 244 CD1 TYR A 30 17.260 -18.300 8.980 1.00 0.00 C ATOM 245 CD2 TYR A 30 15.410 -16.760 8.510 1.00 0.00 C ATOM 246 CE1 TYR A 30 17.540 -17.620 10.180 1.00 0.00 C ATOM 247 CE2 TYR A 30 15.680 -16.070 9.710 1.00 0.00 C ATOM 248 CZ TYR A 30 16.740 -16.510 10.520 1.00 0.00 C ATOM 249 OH TYR A 30 17.080 -15.760 11.600 1.00 0.00 O ATOM 0 H TYR A 30 18.098 -18.868 5.822 1.00 0.00 H new ATOM 0 HA TYR A 30 16.570 -20.413 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.227 -17.909 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.798 -18.624 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.849 -19.161 8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.593 -16.447 7.877 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.346 -17.940 10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 30 15.083 -15.219 10.001 1.00 0.00 H new ATOM 0 HH TYR A 30 16.435 -15.030 11.707 1.00 0.00 H new ATOM 252 N SER A 31 14.560 -21.360 6.380 1.00 0.00 N ATOM 253 CA SER A 31 13.550 -22.140 5.620 1.00 0.00 C ATOM 254 C SER A 31 12.600 -21.260 4.780 1.00 0.00 C ATOM 255 O SER A 31 11.710 -21.750 4.090 1.00 0.00 O ATOM 256 CB SER A 31 12.700 -23.030 6.540 1.00 0.00 C ATOM 257 OG SER A 31 13.410 -24.240 6.820 1.00 0.00 O ATOM 0 H SER A 31 14.350 -21.262 7.373 1.00 0.00 H new ATOM 0 HA SER A 31 14.136 -22.759 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.476 -22.504 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.746 -23.257 6.064 1.00 0.00 H new ATOM 0 HG SER A 31 12.870 -24.808 7.408 1.00 0.00 H new ATOM 260 N GLN A 32 12.830 -19.950 4.830 1.00 0.00 N ATOM 261 CA GLN A 32 12.020 -18.980 4.090 1.00 0.00 C ATOM 262 C GLN A 32 12.660 -18.620 2.760 1.00 0.00 C ATOM 263 O GLN A 32 13.460 -17.690 2.650 1.00 0.00 O ATOM 264 CB GLN A 32 11.810 -17.730 4.920 1.00 0.00 C ATOM 265 CG GLN A 32 10.340 -17.660 5.360 1.00 0.00 C ATOM 266 CD GLN A 32 10.180 -16.650 6.490 1.00 0.00 C ATOM 267 OE1 GLN A 32 9.330 -15.780 6.560 1.00 0.00 O ATOM 268 NE2 GLN A 32 11.060 -16.710 7.450 1.00 0.00 N ATOM 0 H GLN A 32 13.579 -19.531 5.381 1.00 0.00 H new ATOM 0 HA GLN A 32 11.054 -19.442 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.463 -17.744 5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.071 -16.845 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.713 -17.375 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.004 -18.643 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.789 -17.423 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.020 -16.044 8.221 1.00 0.00 H new ATOM 272 N ASP A 33 12.330 -19.500 1.830 1.00 0.00 N ATOM 273 CA ASP A 33 12.800 -19.440 0.440 1.00 0.00 C ATOM 274 C ASP A 33 12.330 -20.580 -0.450 1.00 0.00 C ATOM 275 O ASP A 33 12.430 -21.740 -0.060 1.00 0.00 O ATOM 276 CB ASP A 33 14.320 -19.480 0.390 1.00 0.00 C ATOM 277 CG ASP A 33 14.950 -20.710 1.040 1.00 0.00 C ATOM 278 OD1 ASP A 33 15.080 -20.650 2.270 1.00 0.00 O ATOM 279 OD2 ASP A 33 15.420 -21.570 0.260 1.00 0.00 O ATOM 0 H ASP A 33 11.717 -20.294 2.015 1.00 0.00 H new ATOM 0 HA ASP A 33 12.378 -18.508 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.637 -19.435 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.709 -18.588 0.880 1.00 0.00 H new ATOM 281 N GLY A 34 12.160 -20.200 -1.710 1.00 0.00 N ATOM 282 CA GLY A 34 11.720 -21.120 -2.780 1.00 0.00 C ATOM 283 C GLY A 34 10.200 -21.310 -2.750 1.00 0.00 C ATOM 284 O GLY A 34 9.680 -22.380 -3.060 1.00 0.00 O ATOM 0 H GLY A 34 12.321 -19.245 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.022 -20.726 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.213 -22.085 -2.661 1.00 0.00 H new ATOM 286 N VAL A 35 9.530 -20.250 -2.310 1.00 0.00 N ATOM 287 CA VAL A 35 8.060 -20.170 -2.220 1.00 0.00 C ATOM 288 C VAL A 35 7.570 -18.880 -2.880 1.00 0.00 C ATOM 289 O VAL A 35 8.250 -17.860 -2.790 1.00 0.00 O ATOM 290 CB VAL A 35 7.570 -20.260 -0.760 1.00 0.00 C ATOM 291 CG1 VAL A 35 7.940 -21.620 -0.130 1.00 0.00 C ATOM 292 CG2 VAL A 35 8.080 -19.130 0.150 1.00 0.00 C ATOM 0 H VAL A 35 9.996 -19.399 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 35 7.641 -21.025 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 35 6.487 -20.153 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.582 -21.654 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.477 -22.424 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.023 -21.744 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.689 -19.270 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.169 -19.149 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.744 -18.169 -0.240 1.00 0.00 H new ATOM 294 N VAL A 36 6.390 -18.990 -3.470 1.00 0.00 N ATOM 295 CA VAL A 36 5.650 -17.870 -4.090 1.00 0.00 C ATOM 296 C VAL A 36 4.850 -17.100 -3.020 1.00 0.00 C ATOM 297 O VAL A 36 4.440 -17.640 -2.000 1.00 0.00 O ATOM 298 CB VAL A 36 4.790 -18.370 -5.270 1.00 0.00 C ATOM 299 CG1 VAL A 36 3.660 -17.440 -5.740 1.00 0.00 C ATOM 300 CG2 VAL A 36 5.680 -18.650 -6.480 1.00 0.00 C ATOM 0 H VAL A 36 5.896 -19.880 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 36 6.355 -17.157 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 36 4.306 -19.262 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.130 -17.903 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.965 -17.268 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.082 -16.489 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.067 -19.003 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.194 -17.735 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.415 -19.413 -6.222 1.00 0.00 H new ATOM 302 N PHE A 37 4.620 -15.830 -3.340 1.00 0.00 N ATOM 303 CA PHE A 37 3.800 -14.930 -2.530 1.00 0.00 C ATOM 304 C PHE A 37 2.760 -14.250 -3.420 1.00 0.00 C ATOM 305 O PHE A 37 3.030 -13.190 -3.970 1.00 0.00 O ATOM 306 CB PHE A 37 4.730 -13.900 -1.880 1.00 0.00 C ATOM 307 CG PHE A 37 3.990 -12.860 -1.040 1.00 0.00 C ATOM 308 CD1 PHE A 37 3.080 -13.260 -0.040 1.00 0.00 C ATOM 309 CD2 PHE A 37 4.200 -11.490 -1.310 1.00 0.00 C ATOM 310 CE1 PHE A 37 2.380 -12.280 0.700 1.00 0.00 C ATOM 311 CE2 PHE A 37 3.540 -10.510 -0.540 1.00 0.00 C ATOM 312 CZ PHE A 37 2.630 -10.910 0.460 1.00 0.00 C ATOM 0 H PHE A 37 5.001 -15.390 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 37 3.268 -15.478 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.451 -14.420 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.297 -13.390 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.919 -14.309 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.866 -11.193 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.657 -12.577 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.730 -9.461 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.119 -10.162 1.048 1.00 0.00 H new ATOM 314 N GLN A 38 1.550 -14.780 -3.520 1.00 0.00 N ATOM 315 CA GLN A 38 0.510 -14.150 -4.370 1.00 0.00 C ATOM 316 C GLN A 38 -0.060 -12.850 -3.760 1.00 0.00 C ATOM 317 O GLN A 38 -1.260 -12.670 -3.640 1.00 0.00 O ATOM 318 CB GLN A 38 -0.610 -15.150 -4.680 1.00 0.00 C ATOM 319 CG GLN A 38 -1.330 -14.720 -5.970 1.00 0.00 C ATOM 320 CD GLN A 38 -2.800 -14.350 -5.780 1.00 0.00 C ATOM 321 OE1 GLN A 38 -3.170 -13.230 -5.470 1.00 0.00 O ATOM 322 NE2 GLN A 38 -3.680 -15.260 -6.110 1.00 0.00 N ATOM 0 H GLN A 38 1.252 -15.629 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 38 0.995 -13.863 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.197 -16.152 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.317 -15.191 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.805 -13.865 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.263 -15.530 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.372 -16.197 -6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.674 -15.032 -6.108 1.00 0.00 H new ATOM 326 N ASN A 39 0.850 -11.960 -3.360 1.00 0.00 N ATOM 327 CA ASN A 39 0.590 -10.710 -2.620 1.00 0.00 C ATOM 328 C ASN A 39 -0.740 -10.770 -1.860 1.00 0.00 C ATOM 329 O ASN A 39 -1.710 -10.090 -2.190 1.00 0.00 O ATOM 330 CB ASN A 39 0.720 -9.520 -3.580 1.00 0.00 C ATOM 331 CG ASN A 39 0.260 -8.220 -2.940 1.00 0.00 C ATOM 332 OD1 ASN A 39 0.460 -7.930 -1.770 1.00 0.00 O ATOM 333 ND2 ASN A 39 -0.350 -7.390 -3.750 1.00 0.00 N ATOM 0 H ASN A 39 1.843 -12.093 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 39 1.339 -10.573 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.758 -9.421 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.131 -9.711 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.667 -6.483 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.508 -7.651 -4.723 1.00 0.00 H new ATOM 337 N ARG A 40 -0.790 -11.740 -0.960 1.00 0.00 N ATOM 338 CA ARG A 40 -2.030 -12.020 -0.190 1.00 0.00 C ATOM 339 C ARG A 40 -2.480 -10.800 0.600 1.00 0.00 C ATOM 340 O ARG A 40 -3.670 -10.570 0.790 1.00 0.00 O ATOM 341 CB ARG A 40 -1.880 -13.200 0.770 1.00 0.00 C ATOM 342 CG ARG A 40 -1.490 -14.490 0.060 1.00 0.00 C ATOM 343 CD ARG A 40 0.030 -14.630 0.040 1.00 0.00 C ATOM 344 NE ARG A 40 0.450 -15.780 0.850 1.00 0.00 N ATOM 345 CZ ARG A 40 0.410 -17.050 0.440 1.00 0.00 C ATOM 346 NH1 ARG A 40 0.000 -17.350 -0.790 1.00 0.00 N ATOM 347 NH2 ARG A 40 0.750 -18.030 1.250 1.00 0.00 N ATOM 0 H ARG A 40 -0.005 -12.350 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.783 -12.278 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.125 -12.960 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.819 -13.352 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.936 -15.345 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.878 -14.487 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.376 -14.754 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.490 -13.720 0.424 1.00 0.00 H new ATOM 0 HE ARG A 40 0.796 -15.596 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.287 -16.607 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.028 -18.323 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.048 -17.823 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.715 -18.996 0.925 1.00 0.00 H new ATOM 354 N GLU A 41 -1.500 -9.960 0.900 1.00 0.00 N ATOM 355 CA GLU A 41 -1.720 -8.670 1.540 1.00 0.00 C ATOM 356 C GLU A 41 -2.290 -7.580 0.610 1.00 0.00 C ATOM 357 O GLU A 41 -2.590 -6.500 1.100 1.00 0.00 O ATOM 358 CB GLU A 41 -0.430 -8.190 2.170 1.00 0.00 C ATOM 359 CG GLU A 41 -0.650 -8.250 3.680 1.00 0.00 C ATOM 360 CD GLU A 41 0.400 -7.440 4.420 1.00 0.00 C ATOM 361 OE1 GLU A 41 1.580 -7.530 4.010 1.00 0.00 O ATOM 362 OE2 GLU A 41 -0.040 -6.740 5.350 1.00 0.00 O ATOM 0 H GLU A 41 -0.519 -10.157 0.704 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.486 -8.837 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.408 -8.821 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.194 -7.175 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.643 -7.870 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.616 -9.287 4.014 1.00 0.00 H new ATOM 364 N SER A 42 -2.370 -7.860 -0.690 1.00 0.00 N ATOM 365 CA SER A 42 -2.840 -6.910 -1.720 1.00 0.00 C ATOM 366 C SER A 42 -2.240 -5.500 -1.530 1.00 0.00 C ATOM 367 O SER A 42 -2.880 -4.460 -1.610 1.00 0.00 O ATOM 368 CB SER A 42 -4.370 -6.900 -1.750 1.00 0.00 C ATOM 369 OG SER A 42 -4.860 -6.060 -2.800 1.00 0.00 O ATOM 0 H SER A 42 -2.107 -8.768 -1.073 1.00 0.00 H new ATOM 0 HA SER A 42 -2.483 -7.247 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.741 -7.915 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.753 -6.550 -0.791 1.00 0.00 H new ATOM 0 HG SER A 42 -4.434 -5.179 -2.740 1.00 0.00 H new ATOM 372 N VAL A 43 -0.940 -5.510 -1.230 1.00 0.00 N ATOM 373 CA VAL A 43 -0.200 -4.260 -0.990 1.00 0.00 C ATOM 374 C VAL A 43 0.800 -4.000 -2.130 1.00 0.00 C ATOM 375 O VAL A 43 1.240 -2.880 -2.370 1.00 0.00 O ATOM 376 CB VAL A 43 0.440 -4.300 0.420 1.00 0.00 C ATOM 377 CG1 VAL A 43 1.400 -3.130 0.670 1.00 0.00 C ATOM 378 CG2 VAL A 43 -0.630 -4.190 1.510 1.00 0.00 C ATOM 0 H VAL A 43 -0.379 -6.358 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.878 -3.406 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 43 0.976 -5.248 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.818 -3.210 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.207 -3.158 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.858 -2.189 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.155 -4.221 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.169 -3.249 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.329 -5.022 1.419 1.00 0.00 H new ATOM 380 N LEU A 44 1.150 -5.070 -2.820 1.00 0.00 N ATOM 381 CA LEU A 44 2.200 -4.990 -3.830 1.00 0.00 C ATOM 382 C LEU A 44 1.570 -4.880 -5.230 1.00 0.00 C ATOM 383 O LEU A 44 0.490 -5.430 -5.460 1.00 0.00 O ATOM 384 CB LEU A 44 3.060 -6.250 -3.670 1.00 0.00 C ATOM 385 CG LEU A 44 3.830 -6.420 -2.340 1.00 0.00 C ATOM 386 CD1 LEU A 44 5.300 -6.310 -2.650 1.00 0.00 C ATOM 387 CD2 LEU A 44 3.620 -5.360 -1.270 1.00 0.00 C ATOM 0 H LEU A 44 0.733 -5.994 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 44 2.825 -4.105 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.413 -7.118 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.785 -6.269 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 44 3.464 -7.369 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.875 -6.426 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.582 -7.091 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.507 -5.333 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.219 -5.604 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.923 -4.387 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.567 -5.327 -0.992 1.00 0.00 H new ATOM 389 N PRO A 45 2.160 -4.090 -6.130 1.00 0.00 N ATOM 390 CA PRO A 45 1.580 -3.890 -7.470 1.00 0.00 C ATOM 391 C PRO A 45 1.840 -5.120 -8.370 1.00 0.00 C ATOM 392 O PRO A 45 2.650 -5.110 -9.290 1.00 0.00 O ATOM 393 CB PRO A 45 2.220 -2.590 -7.960 1.00 0.00 C ATOM 394 CG PRO A 45 3.580 -2.550 -7.250 1.00 0.00 C ATOM 395 CD PRO A 45 3.340 -3.230 -5.910 1.00 0.00 C ATOM 0 HA PRO A 45 0.494 -3.800 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.336 -2.587 -9.044 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.610 -1.724 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.343 -3.072 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.927 -1.525 -7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.206 -3.817 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.156 -2.499 -5.123 1.00 0.00 H new ATOM 396 N THR A 46 1.170 -6.210 -7.980 1.00 0.00 N ATOM 397 CA THR A 46 1.210 -7.510 -8.670 1.00 0.00 C ATOM 398 C THR A 46 0.390 -7.380 -9.970 1.00 0.00 C ATOM 399 O THR A 46 0.020 -6.280 -10.380 1.00 0.00 O ATOM 400 CB THR A 46 0.660 -8.590 -7.710 1.00 0.00 C ATOM 401 OG1 THR A 46 1.200 -8.350 -6.400 1.00 0.00 O ATOM 402 CG2 THR A 46 1.010 -10.030 -8.120 1.00 0.00 C ATOM 0 H THR A 46 0.569 -6.216 -7.156 1.00 0.00 H new ATOM 0 HA THR A 46 2.222 -7.807 -8.943 1.00 0.00 H new ATOM 0 HB THR A 46 -0.427 -8.510 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.177 -8.425 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.588 -10.727 -7.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.597 -10.238 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.093 -10.147 -8.148 1.00 0.00 H new ATOM 405 N GLN A 47 0.080 -8.520 -10.570 1.00 0.00 N ATOM 406 CA GLN A 47 -0.670 -8.650 -11.840 1.00 0.00 C ATOM 407 C GLN A 47 -0.840 -10.130 -12.220 1.00 0.00 C ATOM 408 O GLN A 47 -1.890 -10.560 -12.680 1.00 0.00 O ATOM 409 CB GLN A 47 0.080 -7.920 -12.960 1.00 0.00 C ATOM 410 CG GLN A 47 -0.680 -7.940 -14.280 1.00 0.00 C ATOM 411 CD GLN A 47 0.070 -7.180 -15.370 1.00 0.00 C ATOM 412 OE1 GLN A 47 0.560 -6.080 -15.210 1.00 0.00 O ATOM 413 NE2 GLN A 47 0.140 -7.770 -16.540 1.00 0.00 N ATOM 0 H GLN A 47 0.349 -9.424 -10.181 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.656 -8.206 -11.706 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.256 -6.887 -12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.057 -8.382 -13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.835 -8.972 -14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.666 -7.498 -14.140 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.272 -8.694 -16.671 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.607 -7.305 -17.319 1.00 0.00 H new ATOM 417 N SER A 48 0.270 -10.850 -12.100 1.00 0.00 N ATOM 418 CA SER A 48 0.340 -12.270 -12.460 1.00 0.00 C ATOM 419 C SER A 48 0.680 -13.140 -11.240 1.00 0.00 C ATOM 420 O SER A 48 1.130 -12.670 -10.200 1.00 0.00 O ATOM 421 CB SER A 48 1.370 -12.470 -13.580 1.00 0.00 C ATOM 422 OG SER A 48 2.620 -11.880 -13.210 1.00 0.00 O ATOM 0 H SER A 48 1.150 -10.470 -11.751 1.00 0.00 H new ATOM 0 HA SER A 48 -0.640 -12.585 -12.819 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.505 -13.534 -13.775 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.006 -12.020 -14.504 1.00 0.00 H new ATOM 0 HG SER A 48 3.271 -12.014 -13.930 1.00 0.00 H new ATOM 425 N TYR A 49 0.320 -14.400 -11.390 1.00 0.00 N ATOM 426 CA TYR A 49 0.530 -15.420 -10.360 1.00 0.00 C ATOM 427 C TYR A 49 1.940 -16.010 -10.470 1.00 0.00 C ATOM 428 O TYR A 49 2.450 -16.220 -11.570 1.00 0.00 O ATOM 429 CB TYR A 49 -0.540 -16.510 -10.500 1.00 0.00 C ATOM 430 CG TYR A 49 -0.500 -17.560 -9.380 1.00 0.00 C ATOM 431 CD1 TYR A 49 -0.180 -17.190 -8.060 1.00 0.00 C ATOM 432 CD2 TYR A 49 -0.830 -18.900 -9.710 1.00 0.00 C ATOM 433 CE1 TYR A 49 -0.160 -18.160 -7.040 1.00 0.00 C ATOM 434 CE2 TYR A 49 -0.820 -19.870 -8.690 1.00 0.00 C ATOM 435 CZ TYR A 49 -0.490 -19.490 -7.380 1.00 0.00 C ATOM 436 OH TYR A 49 -0.520 -20.410 -6.380 1.00 0.00 O ATOM 0 H TYR A 49 -0.130 -14.755 -12.233 1.00 0.00 H new ATOM 0 HA TYR A 49 0.440 -14.965 -9.373 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.524 -16.042 -10.512 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.413 -17.010 -11.460 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.051 -16.160 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.084 -19.170 -10.724 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.100 -17.894 -6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.064 -20.898 -8.914 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.762 -21.286 -6.748 1.00 0.00 H new ATOM 439 N GLY A 50 2.560 -16.170 -9.310 1.00 0.00 N ATOM 440 CA GLY A 50 3.940 -16.690 -9.210 1.00 0.00 C ATOM 441 C GLY A 50 5.010 -15.640 -9.530 1.00 0.00 C ATOM 442 O GLY A 50 6.200 -15.910 -9.440 1.00 0.00 O ATOM 0 H GLY A 50 2.135 -15.948 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.105 -17.071 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.053 -17.533 -9.892 1.00 0.00 H new ATOM 444 N TYR A 51 4.560 -14.400 -9.710 1.00 0.00 N ATOM 445 CA TYR A 51 5.420 -13.230 -9.960 1.00 0.00 C ATOM 446 C TYR A 51 6.060 -12.670 -8.670 1.00 0.00 C ATOM 447 O TYR A 51 6.740 -11.650 -8.670 1.00 0.00 O ATOM 448 CB TYR A 51 4.540 -12.180 -10.660 1.00 0.00 C ATOM 449 CG TYR A 51 5.220 -10.840 -11.010 1.00 0.00 C ATOM 450 CD1 TYR A 51 6.570 -10.800 -11.420 1.00 0.00 C ATOM 451 CD2 TYR A 51 4.510 -9.650 -10.720 1.00 0.00 C ATOM 452 CE1 TYR A 51 7.250 -9.580 -11.480 1.00 0.00 C ATOM 453 CE2 TYR A 51 5.180 -8.420 -10.790 1.00 0.00 C ATOM 454 CZ TYR A 51 6.540 -8.400 -11.170 1.00 0.00 C ATOM 455 OH TYR A 51 7.140 -7.220 -11.470 1.00 0.00 O ATOM 0 H TYR A 51 3.567 -14.169 -9.687 1.00 0.00 H new ATOM 0 HA TYR A 51 6.265 -13.516 -10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.152 -12.617 -11.580 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.682 -11.971 -10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.079 -11.714 -11.688 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.465 -9.689 -10.448 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.293 -9.541 -11.757 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.663 -7.501 -10.557 1.00 0.00 H new ATOM 0 HH TYR A 51 6.975 -6.576 -10.750 1.00 0.00 H new ATOM 458 N TYR A 52 5.880 -13.390 -7.580 1.00 0.00 N ATOM 459 CA TYR A 52 6.330 -12.940 -6.260 1.00 0.00 C ATOM 460 C TYR A 52 6.810 -14.140 -5.480 1.00 0.00 C ATOM 461 O TYR A 52 6.190 -15.200 -5.550 1.00 0.00 O ATOM 462 CB TYR A 52 5.160 -12.340 -5.510 1.00 0.00 C ATOM 463 CG TYR A 52 4.820 -10.900 -5.810 1.00 0.00 C ATOM 464 CD1 TYR A 52 4.360 -10.510 -7.080 1.00 0.00 C ATOM 465 CD2 TYR A 52 5.100 -9.970 -4.800 1.00 0.00 C ATOM 466 CE1 TYR A 52 4.230 -9.140 -7.370 1.00 0.00 C ATOM 467 CE2 TYR A 52 4.940 -8.610 -5.090 1.00 0.00 C ATOM 468 CZ TYR A 52 4.500 -8.190 -6.360 1.00 0.00 C ATOM 469 OH TYR A 52 4.080 -6.910 -6.510 1.00 0.00 O ATOM 0 H TYR A 52 5.421 -14.301 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 52 7.125 -12.204 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.278 -12.946 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.362 -12.425 -4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.110 -11.253 -7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.430 -10.294 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.927 -8.817 -8.355 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.157 -7.874 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 52 3.831 -6.755 -7.445 1.00 0.00 H new ATOM 472 N HIS A 53 7.840 -13.890 -4.700 1.00 0.00 N ATOM 473 CA HIS A 53 8.450 -14.910 -3.840 1.00 0.00 C ATOM 474 C HIS A 53 8.880 -14.290 -2.500 1.00 0.00 C ATOM 475 O HIS A 53 9.020 -13.070 -2.380 1.00 0.00 O ATOM 476 CB HIS A 53 9.640 -15.570 -4.540 1.00 0.00 C ATOM 477 CG HIS A 53 9.290 -16.310 -5.830 1.00 0.00 C ATOM 478 ND1 HIS A 53 9.350 -15.800 -7.050 1.00 0.00 N ATOM 479 CD2 HIS A 53 8.890 -17.570 -5.930 1.00 0.00 C ATOM 480 CE1 HIS A 53 8.970 -16.740 -7.910 1.00 0.00 C ATOM 481 NE2 HIS A 53 8.680 -17.830 -7.220 1.00 0.00 N ATOM 0 H HIS A 53 8.287 -12.975 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 53 7.707 -15.682 -3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.382 -14.804 -4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.107 -16.272 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.758 -18.262 -5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.909 -16.632 -8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 53 8.353 -18.715 -7.607 1.00 0.00 H new ATOM 485 N GLU A 54 8.990 -15.150 -1.500 1.00 0.00 N ATOM 486 CA GLU A 54 9.370 -14.720 -0.140 1.00 0.00 C ATOM 487 C GLU A 54 10.730 -15.290 0.220 1.00 0.00 C ATOM 488 O GLU A 54 11.040 -16.440 -0.110 1.00 0.00 O ATOM 489 CB GLU A 54 8.390 -15.230 0.900 1.00 0.00 C ATOM 490 CG GLU A 54 7.020 -14.560 0.810 1.00 0.00 C ATOM 491 CD GLU A 54 5.910 -15.610 0.760 1.00 0.00 C ATOM 492 OE1 GLU A 54 6.080 -16.580 0.000 1.00 0.00 O ATOM 493 OE2 GLU A 54 4.880 -15.420 1.430 1.00 0.00 O ATOM 0 H GLU A 54 8.824 -16.152 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 54 9.378 -13.630 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.270 -16.307 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.805 -15.064 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.872 -13.907 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.974 -13.932 -0.080 1.00 0.00 H new ATOM 495 N TYR A 55 11.480 -14.470 0.950 1.00 0.00 N ATOM 496 CA TYR A 55 12.870 -14.770 1.330 1.00 0.00 C ATOM 497 C TYR A 55 13.300 -13.940 2.550 1.00 0.00 C ATOM 498 O TYR A 55 14.030 -12.950 2.440 1.00 0.00 O ATOM 499 CB TYR A 55 13.810 -14.460 0.160 1.00 0.00 C ATOM 500 CG TYR A 55 13.500 -15.190 -1.140 1.00 0.00 C ATOM 501 CD1 TYR A 55 13.820 -16.550 -1.220 1.00 0.00 C ATOM 502 CD2 TYR A 55 12.910 -14.510 -2.210 1.00 0.00 C ATOM 503 CE1 TYR A 55 13.540 -17.270 -2.400 1.00 0.00 C ATOM 504 CE2 TYR A 55 12.660 -15.230 -3.400 1.00 0.00 C ATOM 505 CZ TYR A 55 12.960 -16.600 -3.480 1.00 0.00 C ATOM 506 OH TYR A 55 12.660 -17.300 -4.600 1.00 0.00 O ATOM 0 H TYR A 55 11.145 -13.572 1.300 1.00 0.00 H new ATOM 0 HA TYR A 55 12.927 -15.828 1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 55 13.783 -13.387 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 55 14.829 -14.705 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.281 -17.048 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.653 -13.464 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.770 -18.323 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.235 -14.723 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 55 12.261 -16.700 -5.264 1.00 0.00 H new ATOM 509 N THR A 56 12.740 -14.270 3.710 1.00 0.00 N ATOM 510 CA THR A 56 13.080 -13.550 4.960 1.00 0.00 C ATOM 511 C THR A 56 14.560 -13.210 5.060 1.00 0.00 C ATOM 512 O THR A 56 15.440 -14.050 4.890 1.00 0.00 O ATOM 513 CB THR A 56 12.600 -14.280 6.210 1.00 0.00 C ATOM 514 OG1 THR A 56 11.260 -13.830 6.380 1.00 0.00 O ATOM 515 CG2 THR A 56 13.380 -14.140 7.530 1.00 0.00 C ATOM 0 H THR A 56 12.057 -15.019 3.824 1.00 0.00 H new ATOM 0 HA THR A 56 12.535 -12.607 4.907 1.00 0.00 H new ATOM 0 HB THR A 56 12.744 -15.344 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.260 -12.982 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.891 -14.729 8.306 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.399 -14.500 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.403 -13.092 7.830 1.00 0.00 H new ATOM 518 N VAL A 57 14.750 -11.920 5.300 1.00 0.00 N ATOM 519 CA VAL A 57 16.100 -11.400 5.510 1.00 0.00 C ATOM 520 C VAL A 57 16.610 -11.910 6.850 1.00 0.00 C ATOM 521 O VAL A 57 16.010 -11.620 7.880 1.00 0.00 O ATOM 522 CB VAL A 57 16.110 -9.880 5.280 1.00 0.00 C ATOM 523 CG1 VAL A 57 16.550 -8.970 6.440 1.00 0.00 C ATOM 524 CG2 VAL A 57 17.090 -9.670 4.150 1.00 0.00 C ATOM 0 H VAL A 57 14.006 -11.224 5.354 1.00 0.00 H new ATOM 0 HA VAL A 57 16.822 -11.769 4.782 1.00 0.00 H new ATOM 0 HB VAL A 57 15.073 -9.592 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.504 -7.928 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.887 -9.120 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.572 -9.216 6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 57 17.158 -8.607 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.071 -10.041 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 57 16.749 -10.211 3.267 1.00 0.00 H new ATOM 526 N ILE A 58 17.570 -12.850 6.780 1.00 0.00 N ATOM 527 CA ILE A 58 18.310 -13.290 7.990 1.00 0.00 C ATOM 528 C ILE A 58 18.590 -12.070 8.870 1.00 0.00 C ATOM 529 O ILE A 58 18.750 -10.980 8.330 1.00 0.00 O ATOM 530 CB ILE A 58 19.590 -14.070 7.610 1.00 0.00 C ATOM 531 CG1 ILE A 58 19.190 -15.550 7.490 1.00 0.00 C ATOM 532 CG2 ILE A 58 20.870 -13.750 8.440 1.00 0.00 C ATOM 533 CD1 ILE A 58 20.130 -16.590 8.110 1.00 0.00 C ATOM 0 H ILE A 58 17.852 -13.316 5.918 1.00 0.00 H new ATOM 0 HA ILE A 58 17.703 -13.989 8.565 1.00 0.00 H new ATOM 0 HB ILE A 58 19.958 -13.722 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.207 -15.671 7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.081 -15.784 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 58 21.699 -14.359 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.120 -12.695 8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.687 -13.972 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 58 19.724 -17.589 7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.112 -16.518 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.224 -16.403 9.180 1.00 0.00 H new ATOM 535 N THR A 59 18.730 -12.320 10.170 1.00 0.00 N ATOM 536 CA THR A 59 19.060 -11.280 11.170 1.00 0.00 C ATOM 537 C THR A 59 19.720 -11.910 12.420 1.00 0.00 C ATOM 538 O THR A 59 19.390 -13.040 12.770 1.00 0.00 O ATOM 539 CB THR A 59 17.840 -10.370 11.430 1.00 0.00 C ATOM 540 OG1 THR A 59 17.820 -9.390 10.390 1.00 0.00 O ATOM 541 CG2 THR A 59 17.850 -9.610 12.750 1.00 0.00 C ATOM 0 H THR A 59 18.619 -13.251 10.572 1.00 0.00 H new ATOM 0 HA THR A 59 19.821 -10.605 10.780 1.00 0.00 H new ATOM 0 HB THR A 59 16.973 -11.030 11.463 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.978 -9.826 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.948 -9.004 12.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.883 -10.319 13.578 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.726 -8.963 12.791 1.00 0.00 H new ATOM 544 N PRO A 60 20.750 -11.250 12.990 1.00 0.00 N ATOM 545 CA PRO A 60 21.400 -11.700 14.230 1.00 0.00 C ATOM 546 C PRO A 60 20.480 -11.450 15.430 1.00 0.00 C ATOM 547 O PRO A 60 19.570 -10.630 15.360 1.00 0.00 O ATOM 548 CB PRO A 60 22.690 -10.890 14.330 1.00 0.00 C ATOM 549 CG PRO A 60 22.360 -9.580 13.610 1.00 0.00 C ATOM 550 CD PRO A 60 21.400 -10.020 12.500 1.00 0.00 C ATOM 0 HA PRO A 60 21.611 -12.769 14.224 1.00 0.00 H new ATOM 0 HB2 PRO A 60 22.972 -10.715 15.368 1.00 0.00 H new ATOM 0 HB3 PRO A 60 23.524 -11.407 13.856 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.895 -8.858 14.281 1.00 0.00 H new ATOM 0 HG3 PRO A 60 23.255 -9.108 13.204 1.00 0.00 H new ATOM 0 HD2 PRO A 60 20.662 -9.245 12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 60 21.937 -10.206 11.570 1.00 0.00 H new ATOM 551 N GLY A 61 20.670 -12.290 16.440 1.00 0.00 N ATOM 552 CA GLY A 61 19.830 -12.310 17.660 1.00 0.00 C ATOM 553 C GLY A 61 18.330 -12.410 17.330 1.00 0.00 C ATOM 554 O GLY A 61 17.480 -11.960 18.100 1.00 0.00 O ATOM 0 H GLY A 61 21.414 -12.987 16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.120 -13.154 18.285 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.013 -11.406 18.240 1.00 0.00 H new ATOM 556 N ALA A 62 18.030 -13.000 16.170 1.00 0.00 N ATOM 557 CA ALA A 62 16.650 -13.180 15.710 1.00 0.00 C ATOM 558 C ALA A 62 16.170 -14.490 16.330 1.00 0.00 C ATOM 559 O ALA A 62 16.480 -15.570 15.840 1.00 0.00 O ATOM 560 CB ALA A 62 16.600 -13.220 14.180 1.00 0.00 C ATOM 0 H ALA A 62 18.732 -13.365 15.526 1.00 0.00 H new ATOM 0 HA ALA A 62 16.006 -12.355 16.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.569 -13.354 13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.989 -12.284 13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 62 17.206 -14.050 13.818 1.00 0.00 H new ATOM 562 N ARG A 63 15.600 -14.340 17.530 1.00 0.00 N ATOM 563 CA ARG A 63 15.000 -15.470 18.280 1.00 0.00 C ATOM 564 C ARG A 63 14.220 -16.430 17.380 1.00 0.00 C ATOM 565 O ARG A 63 14.130 -17.630 17.640 1.00 0.00 O ATOM 566 CB ARG A 63 14.060 -14.980 19.390 1.00 0.00 C ATOM 567 CG ARG A 63 14.840 -14.800 20.690 1.00 0.00 C ATOM 568 CD ARG A 63 14.740 -13.380 21.250 1.00 0.00 C ATOM 569 NE ARG A 63 13.670 -13.260 22.270 1.00 0.00 N ATOM 570 CZ ARG A 63 13.430 -12.170 23.010 1.00 0.00 C ATOM 571 NH1 ARG A 63 14.140 -11.060 22.850 1.00 0.00 N ATOM 572 NH2 ARG A 63 12.470 -12.180 23.920 1.00 0.00 N ATOM 0 H ARG A 63 15.537 -13.444 18.013 1.00 0.00 H new ATOM 0 HA ARG A 63 15.844 -16.004 18.716 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.600 -14.036 19.098 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.252 -15.697 19.537 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.467 -15.505 21.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.888 -15.044 20.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.695 -13.096 21.691 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.545 -12.682 20.436 1.00 0.00 H new ATOM 0 HE ARG A 63 13.070 -14.071 22.420 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.884 -11.027 22.153 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.941 -10.240 23.424 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.909 -13.020 24.060 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.291 -11.347 24.481 1.00 0.00 H new ATOM 579 N THR A 64 13.640 -15.850 16.330 1.00 0.00 N ATOM 580 CA THR A 64 12.850 -16.570 15.320 1.00 0.00 C ATOM 581 C THR A 64 13.270 -16.110 13.910 1.00 0.00 C ATOM 582 O THR A 64 14.410 -15.690 13.670 1.00 0.00 O ATOM 583 CB THR A 64 11.350 -16.320 15.610 1.00 0.00 C ATOM 584 OG1 THR A 64 11.050 -14.940 15.360 1.00 0.00 O ATOM 585 CG2 THR A 64 10.930 -16.730 17.030 1.00 0.00 C ATOM 0 H THR A 64 13.705 -14.848 16.150 1.00 0.00 H new ATOM 0 HA THR A 64 13.030 -17.644 15.366 1.00 0.00 H new ATOM 0 HB THR A 64 10.771 -16.956 14.940 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.101 -14.774 15.540 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.868 -16.529 17.168 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.119 -17.794 17.172 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.505 -16.159 17.759 1.00 0.00 H new ATOM 588 N ARG A 65 12.300 -16.060 13.010 1.00 0.00 N ATOM 589 CA ARG A 65 12.470 -15.520 11.660 1.00 0.00 C ATOM 590 C ARG A 65 12.590 -13.990 11.630 1.00 0.00 C ATOM 591 O ARG A 65 13.150 -13.440 10.690 1.00 0.00 O ATOM 592 CB ARG A 65 11.320 -16.020 10.790 1.00 0.00 C ATOM 593 CG ARG A 65 11.660 -17.460 10.410 1.00 0.00 C ATOM 594 CD ARG A 65 10.450 -18.200 9.860 1.00 0.00 C ATOM 595 NE ARG A 65 9.670 -18.760 10.970 1.00 0.00 N ATOM 596 CZ ARG A 65 8.460 -19.290 10.870 1.00 0.00 C ATOM 597 NH1 ARG A 65 7.770 -19.290 9.730 1.00 0.00 N ATOM 598 NH2 ARG A 65 7.920 -19.820 11.950 1.00 0.00 N ATOM 0 H ARG A 65 11.355 -16.398 13.195 1.00 0.00 H new ATOM 0 HA ARG A 65 13.419 -15.880 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.375 -15.974 11.332 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.208 -15.400 9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.456 -17.461 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.041 -17.986 11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.831 -17.521 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.772 -18.997 9.190 1.00 0.00 H new ATOM 0 HE ARG A 65 10.096 -18.739 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.171 -18.871 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.841 -19.709 9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.433 -19.814 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.990 -20.235 11.904 1.00 0.00 H new ATOM 605 N GLY A 66 12.140 -13.370 12.730 1.00 0.00 N ATOM 606 CA GLY A 66 12.080 -11.910 12.860 1.00 0.00 C ATOM 607 C GLY A 66 11.090 -11.360 11.830 1.00 0.00 C ATOM 608 O GLY A 66 10.920 -11.880 10.730 1.00 0.00 O ATOM 0 H GLY A 66 11.807 -13.869 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.768 -11.634 13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.068 -11.477 12.702 1.00 0.00 H new ATOM 610 N THR A 67 10.370 -10.340 12.270 1.00 0.00 N ATOM 611 CA THR A 67 9.440 -9.580 11.410 1.00 0.00 C ATOM 612 C THR A 67 9.990 -9.280 10.000 1.00 0.00 C ATOM 613 O THR A 67 9.260 -9.220 9.010 1.00 0.00 O ATOM 614 CB THR A 67 9.070 -8.290 12.140 1.00 0.00 C ATOM 615 OG1 THR A 67 10.260 -7.550 12.380 1.00 0.00 O ATOM 616 CG2 THR A 67 8.280 -8.540 13.430 1.00 0.00 C ATOM 0 H THR A 67 10.405 -10.005 13.233 1.00 0.00 H new ATOM 0 HA THR A 67 8.560 -10.200 11.237 1.00 0.00 H new ATOM 0 HB THR A 67 8.399 -7.710 11.506 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.249 -6.729 11.844 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.046 -7.587 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.354 -9.065 13.194 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.877 -9.147 14.111 1.00 0.00 H new ATOM 619 N ARG A 68 11.310 -9.100 9.930 1.00 0.00 N ATOM 620 CA ARG A 68 12.080 -9.000 8.670 1.00 0.00 C ATOM 621 C ARG A 68 11.670 -10.060 7.650 1.00 0.00 C ATOM 622 O ARG A 68 11.710 -11.260 7.890 1.00 0.00 O ATOM 623 CB ARG A 68 13.580 -9.190 8.930 1.00 0.00 C ATOM 624 CG ARG A 68 14.300 -7.920 9.370 1.00 0.00 C ATOM 625 CD ARG A 68 14.060 -7.580 10.830 1.00 0.00 C ATOM 626 NE ARG A 68 15.370 -7.310 11.440 1.00 0.00 N ATOM 627 CZ ARG A 68 15.590 -6.630 12.560 1.00 0.00 C ATOM 628 NH1 ARG A 68 14.600 -6.060 13.230 1.00 0.00 N ATOM 629 NH2 ARG A 68 16.830 -6.490 13.010 1.00 0.00 N ATOM 0 H ARG A 68 11.895 -9.017 10.762 1.00 0.00 H new ATOM 0 HA ARG A 68 11.868 -8.007 8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.711 -9.954 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.051 -9.566 8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.370 -8.038 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.969 -7.087 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.409 -6.711 10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.562 -8.405 11.339 1.00 0.00 H new ATOM 0 HE ARG A 68 16.189 -7.680 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.642 -6.138 12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.796 -5.543 14.087 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.609 -6.903 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.005 -5.969 13.869 1.00 0.00 H new ATOM 636 N ARG A 69 11.220 -9.530 6.530 1.00 0.00 N ATOM 637 CA ARG A 69 10.730 -10.330 5.400 1.00 0.00 C ATOM 638 C ARG A 69 11.010 -9.580 4.100 1.00 0.00 C ATOM 639 O ARG A 69 10.760 -8.370 3.990 1.00 0.00 O ATOM 640 CB ARG A 69 9.230 -10.580 5.600 1.00 0.00 C ATOM 641 CG ARG A 69 8.560 -11.400 4.500 1.00 0.00 C ATOM 642 CD ARG A 69 8.750 -12.910 4.650 1.00 0.00 C ATOM 643 NE ARG A 69 7.430 -13.520 4.460 1.00 0.00 N ATOM 644 CZ ARG A 69 7.180 -14.810 4.230 1.00 0.00 C ATOM 645 NH1 ARG A 69 8.150 -15.680 4.030 1.00 0.00 N ATOM 646 NH2 ARG A 69 5.940 -15.250 4.110 1.00 0.00 N ATOM 0 H ARG A 69 11.179 -8.524 6.367 1.00 0.00 H new ATOM 0 HA ARG A 69 11.238 -11.293 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.086 -11.091 6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.723 -9.618 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.493 -11.177 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.958 -11.088 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.460 -13.286 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.152 -13.154 5.634 1.00 0.00 H new ATOM 0 HE ARG A 69 6.624 -12.897 4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.122 -15.373 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.928 -16.660 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.158 -14.600 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.765 -16.239 3.934 1.00 0.00 H new ATOM 653 N ILE A 70 11.640 -10.310 3.190 1.00 0.00 N ATOM 654 CA ILE A 70 11.880 -9.830 1.820 1.00 0.00 C ATOM 655 C ILE A 70 10.900 -10.510 0.880 1.00 0.00 C ATOM 656 O ILE A 70 10.620 -11.710 0.990 1.00 0.00 O ATOM 657 CB ILE A 70 13.360 -9.980 1.400 1.00 0.00 C ATOM 658 CG1 ILE A 70 14.100 -8.740 1.940 1.00 0.00 C ATOM 659 CG2 ILE A 70 13.580 -10.230 -0.100 1.00 0.00 C ATOM 660 CD1 ILE A 70 15.520 -8.480 1.440 1.00 0.00 C ATOM 0 H ILE A 70 12.000 -11.247 3.371 1.00 0.00 H new ATOM 0 HA ILE A 70 11.696 -8.757 1.770 1.00 0.00 H new ATOM 0 HB ILE A 70 13.772 -10.890 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.497 -7.863 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 70 14.138 -8.820 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 70 14.647 -10.322 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.075 -11.150 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.174 -9.395 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 70 15.910 -7.575 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 70 16.157 -9.326 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.507 -8.353 0.357 1.00 0.00 H new ATOM 662 N ILE A 71 10.480 -9.710 -0.090 1.00 0.00 N ATOM 663 CA ILE A 71 9.540 -10.130 -1.130 1.00 0.00 C ATOM 664 C ILE A 71 10.120 -9.750 -2.480 1.00 0.00 C ATOM 665 O ILE A 71 10.200 -8.580 -2.840 1.00 0.00 O ATOM 666 CB ILE A 71 8.170 -9.450 -0.940 1.00 0.00 C ATOM 667 CG1 ILE A 71 7.680 -9.410 0.520 1.00 0.00 C ATOM 668 CG2 ILE A 71 7.160 -10.120 -1.870 1.00 0.00 C ATOM 669 CD1 ILE A 71 7.520 -10.790 1.180 1.00 0.00 C ATOM 0 H ILE A 71 10.783 -8.740 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 71 9.391 -11.208 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 71 8.281 -8.399 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.382 -8.819 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.721 -8.892 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.184 -9.650 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.488 -10.010 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.086 -11.179 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.172 -10.665 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.794 -11.379 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.481 -11.305 1.184 1.00 0.00 H new ATOM 671 N THR A 72 10.660 -10.730 -3.170 1.00 0.00 N ATOM 672 CA THR A 72 11.230 -10.500 -4.520 1.00 0.00 C ATOM 673 C THR A 72 10.190 -10.820 -5.600 1.00 0.00 C ATOM 674 O THR A 72 9.160 -11.430 -5.340 1.00 0.00 O ATOM 675 CB THR A 72 12.470 -11.360 -4.700 1.00 0.00 C ATOM 676 OG1 THR A 72 12.080 -12.670 -4.320 1.00 0.00 O ATOM 677 CG2 THR A 72 13.650 -10.830 -3.880 1.00 0.00 C ATOM 0 H THR A 72 10.726 -11.693 -2.840 1.00 0.00 H new ATOM 0 HA THR A 72 11.508 -9.451 -4.618 1.00 0.00 H new ATOM 0 HB THR A 72 12.828 -11.347 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.811 -13.100 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.518 -11.471 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.887 -9.815 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.386 -10.826 -2.823 1.00 0.00 H new ATOM 680 N GLY A 73 10.510 -10.350 -6.800 1.00 0.00 N ATOM 681 CA GLY A 73 9.660 -10.530 -7.990 1.00 0.00 C ATOM 682 C GLY A 73 10.410 -11.320 -9.060 1.00 0.00 C ATOM 683 O GLY A 73 11.640 -11.400 -9.040 1.00 0.00 O ATOM 0 H GLY A 73 11.368 -9.830 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.744 -11.054 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.365 -9.558 -8.385 1.00 0.00 H new ATOM 685 N GLU A 74 9.660 -11.760 -10.060 1.00 0.00 N ATOM 686 CA GLU A 74 10.230 -12.440 -11.260 1.00 0.00 C ATOM 687 C GLU A 74 11.190 -11.520 -12.040 1.00 0.00 C ATOM 688 O GLU A 74 11.990 -11.970 -12.860 1.00 0.00 O ATOM 689 CB GLU A 74 9.100 -12.930 -12.170 1.00 0.00 C ATOM 690 CG GLU A 74 9.560 -13.890 -13.270 1.00 0.00 C ATOM 691 CD GLU A 74 9.070 -15.310 -12.990 1.00 0.00 C ATOM 692 OE1 GLU A 74 7.860 -15.530 -13.200 1.00 0.00 O ATOM 693 OE2 GLU A 74 9.920 -16.150 -12.620 1.00 0.00 O ATOM 0 H GLU A 74 8.645 -11.667 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 74 10.810 -13.295 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.346 -13.427 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.619 -12.068 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.181 -13.553 -14.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.648 -13.882 -13.335 1.00 0.00 H new ATOM 695 N ALA A 75 11.060 -10.220 -11.790 1.00 0.00 N ATOM 696 CA ALA A 75 11.940 -9.190 -12.360 1.00 0.00 C ATOM 697 C ALA A 75 12.940 -8.740 -11.290 1.00 0.00 C ATOM 698 O ALA A 75 12.580 -8.470 -10.140 1.00 0.00 O ATOM 699 CB ALA A 75 11.090 -8.010 -12.830 1.00 0.00 C ATOM 0 H ALA A 75 10.335 -9.842 -11.180 1.00 0.00 H new ATOM 0 HA ALA A 75 12.490 -9.589 -13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.737 -7.242 -13.254 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.384 -8.349 -13.588 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.542 -7.596 -11.983 1.00 0.00 H new ATOM 701 N THR A 76 14.200 -8.750 -11.690 1.00 0.00 N ATOM 702 CA THR A 76 15.310 -8.260 -10.840 1.00 0.00 C ATOM 703 C THR A 76 15.030 -6.780 -10.530 1.00 0.00 C ATOM 704 O THR A 76 14.470 -6.060 -11.370 1.00 0.00 O ATOM 705 CB THR A 76 16.660 -8.490 -11.550 1.00 0.00 C ATOM 706 OG1 THR A 76 16.880 -9.900 -11.540 1.00 0.00 O ATOM 707 CG2 THR A 76 17.870 -7.800 -10.920 1.00 0.00 C ATOM 0 H THR A 76 14.498 -9.092 -12.604 1.00 0.00 H new ATOM 0 HA THR A 76 15.374 -8.806 -9.899 1.00 0.00 H new ATOM 0 HB THR A 76 16.580 -8.052 -12.545 1.00 0.00 H new ATOM 0 HG1 THR A 76 17.730 -10.102 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.763 -8.031 -11.500 1.00 0.00 H new ATOM 0 HG22 THR A 76 17.711 -6.722 -10.912 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.000 -8.155 -9.898 1.00 0.00 H new ATOM 710 N GLN A 77 15.400 -6.410 -9.310 1.00 0.00 N ATOM 711 CA GLN A 77 15.270 -5.050 -8.710 1.00 0.00 C ATOM 712 C GLN A 77 13.840 -4.790 -8.190 1.00 0.00 C ATOM 713 O GLN A 77 13.320 -3.680 -8.180 1.00 0.00 O ATOM 714 CB GLN A 77 15.730 -3.900 -9.650 1.00 0.00 C ATOM 715 CG GLN A 77 16.930 -4.280 -10.520 1.00 0.00 C ATOM 716 CD GLN A 77 18.030 -3.250 -10.670 1.00 0.00 C ATOM 717 OE1 GLN A 77 18.100 -2.220 -10.010 1.00 0.00 O ATOM 718 NE2 GLN A 77 18.980 -3.590 -11.510 1.00 0.00 N ATOM 0 H GLN A 77 15.824 -7.073 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 77 15.957 -5.046 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.899 -3.611 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.986 -3.028 -9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.371 -5.188 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.561 -4.527 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.900 -4.452 -12.049 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.798 -2.992 -11.624 1.00 0.00 H new ATOM 722 N GLU A 78 13.240 -5.880 -7.720 1.00 0.00 N ATOM 723 CA GLU A 78 11.870 -5.900 -7.160 1.00 0.00 C ATOM 724 C GLU A 78 11.770 -6.690 -5.850 1.00 0.00 C ATOM 725 O GLU A 78 10.950 -7.580 -5.670 1.00 0.00 O ATOM 726 CB GLU A 78 10.860 -6.390 -8.190 1.00 0.00 C ATOM 727 CG GLU A 78 10.480 -5.240 -9.130 1.00 0.00 C ATOM 728 CD GLU A 78 9.210 -5.560 -9.920 1.00 0.00 C ATOM 729 OE1 GLU A 78 8.200 -5.890 -9.260 1.00 0.00 O ATOM 730 OE2 GLU A 78 9.230 -5.300 -11.140 1.00 0.00 O ATOM 0 H GLU A 78 13.690 -6.795 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 78 11.623 -4.868 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.282 -7.216 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.971 -6.771 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.330 -4.329 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.301 -5.047 -9.821 1.00 0.00 H new ATOM 732 N ASP A 79 12.650 -6.310 -4.930 1.00 0.00 N ATOM 733 CA ASP A 79 12.790 -6.920 -3.600 1.00 0.00 C ATOM 734 C ASP A 79 12.260 -5.970 -2.530 1.00 0.00 C ATOM 735 O ASP A 79 12.910 -4.990 -2.210 1.00 0.00 O ATOM 736 CB ASP A 79 14.240 -7.330 -3.280 1.00 0.00 C ATOM 737 CG ASP A 79 15.350 -6.520 -3.970 1.00 0.00 C ATOM 738 OD1 ASP A 79 15.130 -5.330 -4.260 1.00 0.00 O ATOM 739 OD2 ASP A 79 16.370 -7.170 -4.290 1.00 0.00 O ATOM 0 H ASP A 79 13.308 -5.547 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 79 12.198 -7.835 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.385 -7.258 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.365 -8.379 -3.549 1.00 0.00 H new ATOM 741 N TYR A 80 11.010 -6.170 -2.190 1.00 0.00 N ATOM 742 CA TYR A 80 10.260 -5.360 -1.220 1.00 0.00 C ATOM 743 C TYR A 80 10.570 -5.840 0.200 1.00 0.00 C ATOM 744 O TYR A 80 10.550 -7.040 0.490 1.00 0.00 O ATOM 745 CB TYR A 80 8.760 -5.540 -1.470 1.00 0.00 C ATOM 746 CG TYR A 80 8.390 -5.480 -2.950 1.00 0.00 C ATOM 747 CD1 TYR A 80 8.040 -4.240 -3.510 1.00 0.00 C ATOM 748 CD2 TYR A 80 8.340 -6.670 -3.710 1.00 0.00 C ATOM 749 CE1 TYR A 80 7.620 -4.190 -4.850 1.00 0.00 C ATOM 750 CE2 TYR A 80 7.920 -6.630 -5.050 1.00 0.00 C ATOM 751 CZ TYR A 80 7.560 -5.380 -5.590 1.00 0.00 C ATOM 752 OH TYR A 80 7.050 -5.340 -6.840 1.00 0.00 O ATOM 0 H TYR A 80 10.453 -6.926 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 80 10.544 -4.314 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.442 -6.499 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.212 -4.766 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.093 -3.338 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.625 -7.610 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.347 -3.249 -5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.875 -7.529 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 80 7.742 -5.599 -7.484 1.00 0.00 H new ATOM 755 N TYR A 81 10.930 -4.890 1.050 1.00 0.00 N ATOM 756 CA TYR A 81 11.280 -5.190 2.440 1.00 0.00 C ATOM 757 C TYR A 81 10.240 -4.570 3.360 1.00 0.00 C ATOM 758 O TYR A 81 9.950 -3.370 3.300 1.00 0.00 O ATOM 759 CB TYR A 81 12.650 -4.590 2.750 1.00 0.00 C ATOM 760 CG TYR A 81 13.150 -4.750 4.180 1.00 0.00 C ATOM 761 CD1 TYR A 81 12.820 -3.740 5.110 1.00 0.00 C ATOM 762 CD2 TYR A 81 13.970 -5.840 4.520 1.00 0.00 C ATOM 763 CE1 TYR A 81 13.310 -3.840 6.420 1.00 0.00 C ATOM 764 CE2 TYR A 81 14.470 -5.940 5.830 1.00 0.00 C ATOM 765 CZ TYR A 81 14.110 -4.940 6.770 1.00 0.00 C ATOM 766 OH TYR A 81 14.450 -5.110 8.070 1.00 0.00 O ATOM 0 H TYR A 81 10.989 -3.901 0.806 1.00 0.00 H new ATOM 0 HA TYR A 81 11.308 -6.269 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.381 -5.042 2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.618 -3.526 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 81 12.201 -2.905 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.213 -6.592 3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.075 -3.080 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.114 -6.759 6.114 1.00 0.00 H new ATOM 0 HH TYR A 81 13.880 -4.547 8.634 1.00 0.00 H new ATOM 769 N THR A 82 9.880 -5.390 4.330 1.00 0.00 N ATOM 770 CA THR A 82 8.950 -5.000 5.400 1.00 0.00 C ATOM 771 C THR A 82 9.690 -4.520 6.660 1.00 0.00 C ATOM 772 O THR A 82 9.600 -3.370 7.070 1.00 0.00 O ATOM 773 CB THR A 82 7.850 -6.060 5.670 1.00 0.00 C ATOM 774 OG1 THR A 82 7.690 -6.300 7.070 1.00 0.00 O ATOM 775 CG2 THR A 82 7.940 -7.370 4.890 1.00 0.00 C ATOM 0 H THR A 82 10.219 -6.349 4.408 1.00 0.00 H new ATOM 0 HA THR A 82 8.398 -4.132 5.038 1.00 0.00 H new ATOM 0 HB THR A 82 6.952 -5.592 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.055 -5.653 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.112 -8.020 5.174 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.888 -7.161 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.884 -7.865 5.118 1.00 0.00 H new ATOM 778 N GLY A 83 10.370 -5.470 7.280 1.00 0.00 N ATOM 779 CA GLY A 83 11.060 -5.290 8.580 1.00 0.00 C ATOM 780 C GLY A 83 10.090 -5.150 9.780 1.00 0.00 C ATOM 781 O GLY A 83 10.520 -5.030 10.920 1.00 0.00 O ATOM 0 H GLY A 83 10.470 -6.411 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.719 -6.140 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.691 -4.403 8.528 1.00 0.00 H new ATOM 783 N ASP A 84 8.800 -5.190 9.480 1.00 0.00 N ATOM 784 CA ASP A 84 7.720 -5.160 10.480 1.00 0.00 C ATOM 785 C ASP A 84 6.700 -6.300 10.320 1.00 0.00 C ATOM 786 O ASP A 84 5.630 -6.260 10.920 1.00 0.00 O ATOM 787 CB ASP A 84 7.000 -3.810 10.430 1.00 0.00 C ATOM 788 CG ASP A 84 7.770 -2.600 10.960 1.00 0.00 C ATOM 789 OD1 ASP A 84 8.600 -2.780 11.880 1.00 0.00 O ATOM 790 OD2 ASP A 84 7.460 -1.500 10.460 1.00 0.00 O ATOM 0 H ASP A 84 8.459 -5.245 8.520 1.00 0.00 H new ATOM 0 HA ASP A 84 8.196 -5.303 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.723 -3.610 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.073 -3.898 10.996 1.00 0.00 H new ATOM 792 N HIS A 85 7.090 -7.340 9.570 1.00 0.00 N ATOM 793 CA HIS A 85 6.300 -8.550 9.260 1.00 0.00 C ATOM 794 C HIS A 85 5.050 -8.200 8.460 1.00 0.00 C ATOM 795 O HIS A 85 4.010 -7.880 9.020 1.00 0.00 O ATOM 796 CB HIS A 85 5.920 -9.280 10.550 1.00 0.00 C ATOM 797 CG HIS A 85 5.480 -10.710 10.270 1.00 0.00 C ATOM 798 ND1 HIS A 85 4.220 -11.120 10.190 1.00 0.00 N ATOM 799 CD2 HIS A 85 6.280 -11.760 10.150 1.00 0.00 C ATOM 800 CE1 HIS A 85 4.230 -12.430 10.030 1.00 0.00 C ATOM 801 NE2 HIS A 85 5.500 -12.820 10.010 1.00 0.00 N ATOM 0 H HIS A 85 8.014 -7.366 9.138 1.00 0.00 H new ATOM 0 HA HIS A 85 6.917 -9.210 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.771 -9.286 11.231 1.00 0.00 H new ATOM 0 HB3 HIS A 85 5.115 -8.742 11.051 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.360 -11.752 10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.364 -13.068 9.933 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.822 -13.782 9.904 1.00 0.00 H new ATOM 805 N TYR A 86 5.250 -8.140 7.140 1.00 0.00 N ATOM 806 CA TYR A 86 4.170 -7.740 6.220 1.00 0.00 C ATOM 807 C TYR A 86 3.440 -6.460 6.610 1.00 0.00 C ATOM 808 O TYR A 86 2.240 -6.300 6.400 1.00 0.00 O ATOM 809 CB TYR A 86 3.180 -8.910 6.140 1.00 0.00 C ATOM 810 CG TYR A 86 3.570 -9.990 5.130 1.00 0.00 C ATOM 811 CD1 TYR A 86 4.820 -9.950 4.480 1.00 0.00 C ATOM 812 CD2 TYR A 86 2.620 -11.010 4.900 1.00 0.00 C ATOM 813 CE1 TYR A 86 5.140 -10.970 3.590 1.00 0.00 C ATOM 814 CE2 TYR A 86 2.950 -12.040 4.010 1.00 0.00 C ATOM 815 CZ TYR A 86 4.210 -12.000 3.380 1.00 0.00 C ATOM 816 OH TYR A 86 4.590 -13.000 2.570 1.00 0.00 O ATOM 0 H TYR A 86 6.136 -8.359 6.685 1.00 0.00 H new ATOM 0 HA TYR A 86 4.626 -7.514 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.092 -9.365 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.196 -8.522 5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.514 -9.145 4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.662 -10.996 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.087 -10.969 3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.257 -12.844 3.812 1.00 0.00 H new ATOM 0 HH TYR A 86 4.290 -12.813 1.656 1.00 0.00 H new ATOM 819 N ALA A 87 4.160 -5.560 7.260 1.00 0.00 N ATOM 820 CA ALA A 87 3.530 -4.320 7.720 1.00 0.00 C ATOM 821 C ALA A 87 3.810 -3.140 6.790 1.00 0.00 C ATOM 822 O ALA A 87 3.040 -2.180 6.760 1.00 0.00 O ATOM 823 CB ALA A 87 3.900 -4.020 9.170 1.00 0.00 C ATOM 0 H ALA A 87 5.152 -5.653 7.479 1.00 0.00 H new ATOM 0 HA ALA A 87 2.451 -4.474 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.418 -3.094 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.565 -4.838 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.981 -3.913 9.255 1.00 0.00 H new ATOM 825 N THR A 88 4.850 -3.290 5.970 1.00 0.00 N ATOM 826 CA THR A 88 5.350 -2.280 5.030 1.00 0.00 C ATOM 827 C THR A 88 6.170 -2.980 3.940 1.00 0.00 C ATOM 828 O THR A 88 6.300 -4.200 3.960 1.00 0.00 O ATOM 829 CB THR A 88 6.270 -1.280 5.740 1.00 0.00 C ATOM 830 OG1 THR A 88 7.230 -2.040 6.470 1.00 0.00 O ATOM 831 CG2 THR A 88 5.520 -0.300 6.640 1.00 0.00 C ATOM 0 H THR A 88 5.392 -4.154 5.939 1.00 0.00 H new ATOM 0 HA THR A 88 4.496 -1.750 4.608 1.00 0.00 H new ATOM 0 HB THR A 88 6.756 -0.647 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.031 -2.169 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.231 0.379 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.812 0.274 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.981 -0.852 7.410 1.00 0.00 H new ATOM 834 N PHE A 89 6.540 -2.230 2.910 1.00 0.00 N ATOM 835 CA PHE A 89 7.240 -2.750 1.710 1.00 0.00 C ATOM 836 C PHE A 89 7.990 -1.600 1.040 1.00 0.00 C ATOM 837 O PHE A 89 7.410 -0.590 0.660 1.00 0.00 O ATOM 838 CB PHE A 89 6.250 -3.340 0.700 1.00 0.00 C ATOM 839 CG PHE A 89 5.450 -4.520 1.260 1.00 0.00 C ATOM 840 CD1 PHE A 89 5.970 -5.840 1.160 1.00 0.00 C ATOM 841 CD2 PHE A 89 4.220 -4.280 1.920 1.00 0.00 C ATOM 842 CE1 PHE A 89 5.240 -6.910 1.710 1.00 0.00 C ATOM 843 CE2 PHE A 89 3.510 -5.350 2.500 1.00 0.00 C ATOM 844 CZ PHE A 89 4.020 -6.660 2.380 1.00 0.00 C ATOM 0 H PHE A 89 6.366 -1.226 2.870 1.00 0.00 H new ATOM 0 HA PHE A 89 7.926 -3.536 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.559 -2.560 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.795 -3.666 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.914 -6.019 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.826 -3.276 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.611 -7.920 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.586 -5.170 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.470 -7.485 2.807 1.00 0.00 H new ATOM 846 N SER A 90 9.310 -1.760 1.030 1.00 0.00 N ATOM 847 CA SER A 90 10.200 -0.750 0.450 1.00 0.00 C ATOM 848 C SER A 90 11.250 -1.500 -0.370 1.00 0.00 C ATOM 849 O SER A 90 11.970 -2.340 0.180 1.00 0.00 O ATOM 850 CB SER A 90 10.930 0.060 1.530 1.00 0.00 C ATOM 851 OG SER A 90 10.140 0.170 2.710 1.00 0.00 O ATOM 0 H SER A 90 9.789 -2.574 1.414 1.00 0.00 H new ATOM 0 HA SER A 90 9.609 -0.057 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.880 -0.419 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.161 1.055 1.149 1.00 0.00 H new ATOM 0 HG SER A 90 10.628 0.689 3.383 1.00 0.00 H new ATOM 854 N LEU A 91 11.150 -1.360 -1.690 1.00 0.00 N ATOM 855 CA LEU A 91 12.100 -1.950 -2.650 1.00 0.00 C ATOM 856 C LEU A 91 13.550 -1.810 -2.170 1.00 0.00 C ATOM 857 O LEU A 91 13.850 -0.930 -1.370 1.00 0.00 O ATOM 858 CB LEU A 91 11.960 -1.280 -4.020 1.00 0.00 C ATOM 859 CG LEU A 91 10.730 -1.730 -4.800 1.00 0.00 C ATOM 860 CD1 LEU A 91 10.580 -0.900 -6.070 1.00 0.00 C ATOM 861 CD2 LEU A 91 10.890 -3.200 -5.170 1.00 0.00 C ATOM 0 H LEU A 91 10.401 -0.829 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 91 11.861 -3.010 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.917 -0.199 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.851 -1.492 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 91 9.841 -1.594 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.698 -1.231 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.470 0.152 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.464 -1.027 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.015 -3.532 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 91 11.782 -3.326 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.988 -3.795 -4.262 1.00 0.00 H new ATOM 863 N ILE A 92 14.470 -2.620 -2.660 1.00 0.00 N ATOM 864 CA ILE A 92 15.870 -2.530 -2.240 1.00 0.00 C ATOM 865 C ILE A 92 16.720 -2.060 -3.420 1.00 0.00 C ATOM 866 O ILE A 92 16.840 -2.740 -4.440 1.00 0.00 O ATOM 867 CB ILE A 92 16.340 -3.860 -1.610 1.00 0.00 C ATOM 868 CG1 ILE A 92 15.970 -4.020 -0.140 1.00 0.00 C ATOM 869 CG2 ILE A 92 17.860 -4.010 -1.640 1.00 0.00 C ATOM 870 CD1 ILE A 92 14.490 -4.250 0.090 1.00 0.00 C ATOM 0 H ILE A 92 14.281 -3.349 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 92 15.986 -1.786 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 92 15.831 -4.607 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 92 16.529 -4.857 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 92 16.280 -3.127 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 92 18.141 -4.960 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 92 18.208 -3.984 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 92 18.317 -3.192 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.300 -4.355 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.925 -3.402 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.179 -5.159 -0.425 1.00 0.00 H new ATOM 872 N ASP A 93 17.390 -0.940 -3.170 1.00 0.00 N ATOM 873 CA ASP A 93 18.310 -0.380 -4.170 1.00 0.00 C ATOM 874 C ASP A 93 19.740 -0.760 -3.790 1.00 0.00 C ATOM 875 O ASP A 93 20.350 -0.100 -2.960 1.00 0.00 O ATOM 876 CB ASP A 93 18.180 1.150 -4.250 1.00 0.00 C ATOM 877 CG ASP A 93 17.900 1.660 -5.660 1.00 0.00 C ATOM 878 OD1 ASP A 93 17.930 0.840 -6.610 1.00 0.00 O ATOM 879 OD2 ASP A 93 17.690 2.890 -5.770 1.00 0.00 O ATOM 0 H ASP A 93 17.321 -0.406 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 93 18.058 -0.788 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 93 17.377 1.474 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 93 19.100 1.605 -3.883 1.00 0.00 H new ATOM 881 N GLN A 94 20.220 -1.830 -4.410 1.00 0.00 N ATOM 882 CA GLN A 94 21.590 -2.340 -4.160 1.00 0.00 C ATOM 883 C GLN A 94 22.660 -1.300 -4.520 1.00 0.00 C ATOM 884 O GLN A 94 23.530 -1.010 -3.710 1.00 0.00 O ATOM 885 CB GLN A 94 21.880 -3.620 -4.950 1.00 0.00 C ATOM 886 CG GLN A 94 20.770 -4.660 -4.810 1.00 0.00 C ATOM 887 CD GLN A 94 20.150 -4.880 -6.190 1.00 0.00 C ATOM 888 OE1 GLN A 94 19.450 -4.050 -6.740 1.00 0.00 O ATOM 889 NE2 GLN A 94 20.530 -5.980 -6.810 1.00 0.00 N ATOM 0 H GLN A 94 19.691 -2.372 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 94 21.633 -2.556 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 94 22.009 -3.371 -6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 94 22.821 -4.050 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.171 -5.595 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.014 -4.318 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.117 -6.661 -6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 94 20.237 -6.150 -7.772 1.00 0.00 H new ATOM 893 N THR A 95 22.390 -0.600 -5.630 1.00 0.00 N ATOM 894 CA THR A 95 23.160 0.570 -6.110 1.00 0.00 C ATOM 895 C THR A 95 23.340 1.660 -5.050 1.00 0.00 C ATOM 896 O THR A 95 24.390 2.290 -4.940 1.00 0.00 O ATOM 897 CB THR A 95 22.560 1.170 -7.400 1.00 0.00 C ATOM 898 OG1 THR A 95 23.160 2.440 -7.670 1.00 0.00 O ATOM 899 CG2 THR A 95 21.030 1.310 -7.390 1.00 0.00 C ATOM 0 H THR A 95 21.608 -0.834 -6.241 1.00 0.00 H new ATOM 0 HA THR A 95 24.152 0.181 -6.337 1.00 0.00 H new ATOM 0 HB THR A 95 22.787 0.455 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.777 2.815 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.698 1.740 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 95 20.576 0.328 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.730 1.962 -6.570 1.00 0.00 H new ATOM 902 N CYS A 96 22.340 1.780 -4.180 1.00 0.00 N ATOM 903 CA CYS A 96 22.390 2.730 -3.060 1.00 0.00 C ATOM 904 C CYS A 96 22.770 2.000 -1.750 1.00 0.00 C ATOM 905 O CYS A 96 23.550 2.570 -0.960 1.00 0.00 O ATOM 906 CB CYS A 96 21.040 3.440 -2.980 1.00 0.00 C ATOM 907 SG CYS A 96 21.090 4.880 -1.850 1.00 0.00 S ATOM 908 OXT CYS A 96 22.250 0.890 -1.530 1.00 0.00 O ATOM 0 H CYS A 96 21.481 1.232 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 96 23.163 3.482 -3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 96 20.744 3.770 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 96 20.280 2.737 -2.639 1.00 0.00 H new TER 910 CYS A 96