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 82 THR OG1 : rot 66:sc= 0.199 USER MOD Set 1.2: A 88 THR OG1 : rot 102:sc= 1.15 USER MOD Set 2.1: A 46 THR OG1 : rot 117:sc= 0.773 USER MOD Set 2.2: A 52 TYR OH : rot -116:sc= 1.11 USER MOD Set 2.3: A 80 TYR OH : rot 103:sc= 0.563 USER MOD Set 3.1: A 77 GLN : amide:sc= -0.476 K(o=-1.2,f=-0.33) USER MOD Set 3.2: A 94 GLN : amide:sc= -0.762 K(o=-1.2,f=-0.33!) USER MOD Set 4.1: A 32 GLN : amide:sc= -5.27! C(o=-5!,f=-14!) USER MOD Set 4.2: A 56 THR OG1 : rot -179:sc= 0.242 USER MOD Single : A 1 ASP N :NH3+ -124:sc= 0.0967 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 18 THR OG1 : rot -155:sc= 0.443 USER MOD Single : A 20 ASN : amide:sc=-0.00274 X(o=-0.0027,f=-0.14) 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= 1.07 K(o=1.1,f=-0.4) USER MOD Single : A 39 ASN : amide:sc= -1.68 K(o=-1.7,f=-8.4!) USER MOD Single : A 42 SER OG : rot -51:sc= 0.364 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,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= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.957 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 67 THR OG1 : rot 103:sc= 0.275 USER MOD Single : A 72 THR OG1 : rot -137:sc= 0.466! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -15:sc= -1.12 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -149:sc= 0.704 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 1.330 -0.070 0.040 1.00 0.00 N ATOM 2 CA ASP A 1 2.090 -0.050 -1.230 1.00 0.00 C ATOM 3 C ASP A 1 1.740 1.220 -2.040 1.00 0.00 C ATOM 4 O ASP A 1 1.130 2.150 -1.500 1.00 0.00 O ATOM 5 CB ASP A 1 1.800 -1.360 -1.970 1.00 0.00 C ATOM 6 CG ASP A 1 0.450 -1.420 -2.690 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.580 -1.600 -2.000 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.490 -1.350 -3.940 1.00 0.00 O ATOM 0 H1 ASP A 1 1.991 -0.150 0.839 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.783 0.810 0.131 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.682 -0.883 0.044 1.00 0.00 H new ATOM 0 HA ASP A 1 3.165 0.005 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.591 -1.528 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.848 -2.181 -1.254 1.00 0.00 H new ATOM 12 N VAL A 2 2.020 1.180 -3.340 1.00 0.00 N ATOM 13 CA VAL A 2 1.610 2.190 -4.340 1.00 0.00 C ATOM 14 C VAL A 2 0.200 2.690 -4.010 1.00 0.00 C ATOM 15 O VAL A 2 -0.700 1.880 -3.760 1.00 0.00 O ATOM 16 CB VAL A 2 1.650 1.540 -5.730 1.00 0.00 C ATOM 17 CG1 VAL A 2 1.240 2.440 -6.890 1.00 0.00 C ATOM 18 CG2 VAL A 2 3.080 1.130 -6.020 1.00 0.00 C ATOM 0 H VAL A 2 2.559 0.418 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 2 2.286 3.045 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 2 0.934 0.720 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.304 1.882 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.216 2.782 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.907 3.301 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.133 0.665 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.722 2.011 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.415 0.419 -5.265 1.00 0.00 H new ATOM 20 N SER A 3 0.040 4.000 -4.110 1.00 0.00 N ATOM 21 CA SER A 3 -1.250 4.660 -3.840 1.00 0.00 C ATOM 22 C SER A 3 -2.310 4.360 -4.930 1.00 0.00 C ATOM 23 O SER A 3 -3.420 4.880 -4.900 1.00 0.00 O ATOM 24 CB SER A 3 -1.070 6.170 -3.690 1.00 0.00 C ATOM 25 OG SER A 3 -0.250 6.440 -2.550 1.00 0.00 O ATOM 0 H SER A 3 0.787 4.641 -4.378 1.00 0.00 H new ATOM 0 HA SER A 3 -1.618 4.247 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.611 6.584 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.040 6.653 -3.576 1.00 0.00 H new ATOM 0 HG SER A 3 -0.132 7.408 -2.454 1.00 0.00 H new ATOM 28 N GLY A 4 -1.920 3.510 -5.870 1.00 0.00 N ATOM 29 CA GLY A 4 -2.740 3.070 -7.000 1.00 0.00 C ATOM 30 C GLY A 4 -2.160 3.650 -8.290 1.00 0.00 C ATOM 31 O GLY A 4 -1.090 4.260 -8.310 1.00 0.00 O ATOM 0 H GLY A 4 -0.990 3.090 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.758 1.981 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.771 3.400 -6.869 1.00 0.00 H new ATOM 33 N THR A 5 -2.830 3.330 -9.370 1.00 0.00 N ATOM 34 CA THR A 5 -2.440 3.780 -10.710 1.00 0.00 C ATOM 35 C THR A 5 -2.840 5.250 -10.920 1.00 0.00 C ATOM 36 O THR A 5 -3.450 5.890 -10.070 1.00 0.00 O ATOM 37 CB THR A 5 -3.110 2.820 -11.710 1.00 0.00 C ATOM 38 OG1 THR A 5 -3.030 1.480 -11.190 1.00 0.00 O ATOM 39 CG2 THR A 5 -2.400 2.760 -13.060 1.00 0.00 C ATOM 0 H THR A 5 -3.667 2.748 -9.358 1.00 0.00 H new ATOM 0 HA THR A 5 -1.360 3.751 -10.854 1.00 0.00 H new ATOM 0 HB THR A 5 -4.127 3.189 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.455 0.859 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.924 2.065 -13.716 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.394 3.752 -13.512 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.374 2.420 -12.917 1.00 0.00 H new ATOM 42 N VAL A 6 -2.350 5.810 -12.020 1.00 0.00 N ATOM 43 CA VAL A 6 -2.530 7.230 -12.350 1.00 0.00 C ATOM 44 C VAL A 6 -2.830 7.300 -13.840 1.00 0.00 C ATOM 45 O VAL A 6 -2.090 6.780 -14.680 1.00 0.00 O ATOM 46 CB VAL A 6 -1.320 8.050 -11.860 1.00 0.00 C ATOM 47 CG1 VAL A 6 -0.120 8.120 -12.810 1.00 0.00 C ATOM 48 CG2 VAL A 6 -1.780 9.460 -11.500 1.00 0.00 C ATOM 0 H VAL A 6 -1.812 5.293 -12.716 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.371 7.691 -11.833 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.945 7.509 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.667 8.723 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.255 7.114 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.428 8.573 -13.752 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.927 10.043 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.212 9.937 -12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.529 9.408 -10.710 1.00 0.00 H new ATOM 50 N CYS A 7 -4.090 7.620 -14.090 1.00 0.00 N ATOM 51 CA CYS A 7 -4.570 7.820 -15.460 1.00 0.00 C ATOM 52 C CYS A 7 -3.560 8.640 -16.250 1.00 0.00 C ATOM 53 O CYS A 7 -3.060 9.650 -15.770 1.00 0.00 O ATOM 54 CB CYS A 7 -5.930 8.520 -15.440 1.00 0.00 C ATOM 55 SG CYS A 7 -7.200 7.550 -14.560 1.00 0.00 S ATOM 0 H CYS A 7 -4.801 7.748 -13.370 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.685 6.850 -15.944 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.827 9.495 -14.963 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.258 8.699 -16.464 1.00 0.00 H new ATOM 57 N LEU A 8 -3.110 8.080 -17.360 1.00 0.00 N ATOM 58 CA LEU A 8 -2.180 8.750 -18.280 1.00 0.00 C ATOM 59 C LEU A 8 -2.670 10.160 -18.660 1.00 0.00 C ATOM 60 O LEU A 8 -1.890 11.100 -18.630 1.00 0.00 O ATOM 61 CB LEU A 8 -1.990 7.950 -19.560 1.00 0.00 C ATOM 62 CG LEU A 8 -0.540 7.810 -20.020 1.00 0.00 C ATOM 63 CD1 LEU A 8 -0.580 7.760 -21.540 1.00 0.00 C ATOM 64 CD2 LEU A 8 0.430 8.920 -19.580 1.00 0.00 C ATOM 0 H LEU A 8 -3.376 7.142 -17.658 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.231 8.826 -17.749 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.408 6.954 -19.414 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.565 8.423 -20.356 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.143 6.912 -19.546 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.434 7.660 -21.928 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.177 6.906 -21.860 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.026 8.678 -21.923 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.426 8.708 -19.968 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.086 9.879 -19.968 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.466 8.961 -18.491 1.00 0.00 H new ATOM 66 N SER A 9 -3.990 10.310 -18.820 1.00 0.00 N ATOM 67 CA SER A 9 -4.630 11.620 -19.060 1.00 0.00 C ATOM 68 C SER A 9 -4.490 12.570 -17.840 1.00 0.00 C ATOM 69 O SER A 9 -4.390 13.780 -17.990 1.00 0.00 O ATOM 70 CB SER A 9 -6.100 11.460 -19.420 1.00 0.00 C ATOM 71 OG SER A 9 -6.670 12.730 -19.720 1.00 0.00 O ATOM 0 H SER A 9 -4.648 9.532 -18.788 1.00 0.00 H new ATOM 0 HA SER A 9 -4.106 12.070 -19.903 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.202 10.795 -20.277 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.637 10.998 -18.592 1.00 0.00 H new ATOM 0 HG SER A 9 -7.615 12.618 -19.952 1.00 0.00 H new ATOM 74 N ALA A 10 -4.390 11.970 -16.650 1.00 0.00 N ATOM 75 CA ALA A 10 -4.140 12.700 -15.390 1.00 0.00 C ATOM 76 C ALA A 10 -2.670 13.150 -15.270 1.00 0.00 C ATOM 77 O ALA A 10 -2.340 14.040 -14.500 1.00 0.00 O ATOM 78 CB ALA A 10 -4.520 11.820 -14.200 1.00 0.00 C ATOM 0 H ALA A 10 -4.479 10.961 -16.526 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.758 13.598 -15.394 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.334 12.362 -13.273 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.577 11.560 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.921 10.910 -14.215 1.00 0.00 H new ATOM 80 N LEU A 11 -1.800 12.490 -16.030 1.00 0.00 N ATOM 81 CA LEU A 11 -0.380 12.840 -16.100 1.00 0.00 C ATOM 82 C LEU A 11 -0.070 13.940 -17.130 1.00 0.00 C ATOM 83 O LEU A 11 -0.900 14.220 -18.000 1.00 0.00 O ATOM 84 CB LEU A 11 0.420 11.580 -16.410 1.00 0.00 C ATOM 85 CG LEU A 11 0.720 10.770 -15.160 1.00 0.00 C ATOM 86 CD1 LEU A 11 1.570 9.610 -15.650 1.00 0.00 C ATOM 87 CD2 LEU A 11 1.530 11.510 -14.090 1.00 0.00 C ATOM 0 H LEU A 11 -2.058 11.696 -16.616 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.094 13.251 -15.132 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.136 10.963 -17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.356 11.856 -16.896 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.224 10.502 -14.686 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.833 8.971 -14.807 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.008 9.031 -16.383 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.479 9.995 -16.112 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.694 10.851 -13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.492 11.812 -14.505 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.982 12.394 -13.765 1.00 0.00 H new ATOM 89 N PRO A 12 1.080 14.620 -16.990 1.00 0.00 N ATOM 90 CA PRO A 12 1.460 15.710 -17.910 1.00 0.00 C ATOM 91 C PRO A 12 1.810 15.210 -19.330 1.00 0.00 C ATOM 92 O PRO A 12 2.010 14.010 -19.520 1.00 0.00 O ATOM 93 CB PRO A 12 2.620 16.390 -17.160 1.00 0.00 C ATOM 94 CG PRO A 12 3.280 15.310 -16.330 1.00 0.00 C ATOM 95 CD PRO A 12 2.080 14.470 -15.910 1.00 0.00 C ATOM 0 HA PRO A 12 0.649 16.406 -18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.330 16.831 -17.860 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.253 17.198 -16.527 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.002 14.733 -16.908 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.813 15.721 -15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.361 13.425 -15.781 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.679 14.812 -14.956 1.00 0.00 H new ATOM 96 N PRO A 13 1.960 16.110 -20.330 1.00 0.00 N ATOM 97 CA PRO A 13 2.340 15.720 -21.700 1.00 0.00 C ATOM 98 C PRO A 13 3.790 15.190 -21.840 1.00 0.00 C ATOM 99 O PRO A 13 4.130 14.460 -22.760 1.00 0.00 O ATOM 100 CB PRO A 13 2.090 16.960 -22.550 1.00 0.00 C ATOM 101 CG PRO A 13 2.240 18.130 -21.580 1.00 0.00 C ATOM 102 CD PRO A 13 1.800 17.580 -20.230 1.00 0.00 C ATOM 0 HA PRO A 13 1.745 14.867 -22.026 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.806 17.030 -23.369 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.096 16.940 -22.997 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.270 18.485 -21.545 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.622 18.975 -21.882 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.409 17.987 -19.423 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.766 17.848 -20.015 1.00 0.00 H new ATOM 103 N GLU A 14 4.570 15.430 -20.790 1.00 0.00 N ATOM 104 CA GLU A 14 5.960 14.970 -20.660 1.00 0.00 C ATOM 105 C GLU A 14 6.090 13.620 -19.920 1.00 0.00 C ATOM 106 O GLU A 14 7.140 12.980 -19.950 1.00 0.00 O ATOM 107 CB GLU A 14 6.780 16.060 -19.970 1.00 0.00 C ATOM 108 CG GLU A 14 6.140 16.580 -18.680 1.00 0.00 C ATOM 109 CD GLU A 14 5.310 17.850 -18.860 1.00 0.00 C ATOM 110 OE1 GLU A 14 4.990 18.190 -20.020 1.00 0.00 O ATOM 111 OE2 GLU A 14 4.930 18.430 -17.830 1.00 0.00 O ATOM 0 H GLU A 14 4.250 15.963 -19.982 1.00 0.00 H new ATOM 0 HA GLU A 14 6.347 14.789 -21.663 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.772 15.669 -19.742 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.917 16.893 -20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.503 15.799 -18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.926 16.774 -17.950 1.00 0.00 H new ATOM 113 N ALA A 15 4.950 13.140 -19.430 1.00 0.00 N ATOM 114 CA ALA A 15 4.830 11.830 -18.770 1.00 0.00 C ATOM 115 C ALA A 15 4.780 10.690 -19.780 1.00 0.00 C ATOM 116 O ALA A 15 5.680 9.850 -19.800 1.00 0.00 O ATOM 117 CB ALA A 15 3.610 11.790 -17.860 1.00 0.00 C ATOM 0 H ALA A 15 4.069 13.651 -19.478 1.00 0.00 H new ATOM 0 HA ALA A 15 5.723 11.693 -18.161 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.543 10.812 -17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.702 12.561 -17.095 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.711 11.969 -18.449 1.00 0.00 H new ATOM 119 N THR A 16 3.880 10.850 -20.760 1.00 0.00 N ATOM 120 CA THR A 16 3.760 9.920 -21.900 1.00 0.00 C ATOM 121 C THR A 16 5.080 9.760 -22.660 1.00 0.00 C ATOM 122 O THR A 16 5.340 8.710 -23.240 1.00 0.00 O ATOM 123 CB THR A 16 2.560 10.280 -22.800 1.00 0.00 C ATOM 124 OG1 THR A 16 1.780 9.090 -22.870 1.00 0.00 O ATOM 125 CG2 THR A 16 2.860 10.770 -24.230 1.00 0.00 C ATOM 0 H THR A 16 3.215 11.623 -20.788 1.00 0.00 H new ATOM 0 HA THR A 16 3.544 8.930 -21.499 1.00 0.00 H new ATOM 0 HB THR A 16 2.071 11.143 -22.348 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.992 9.248 -23.431 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.924 10.985 -24.745 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.466 11.675 -24.185 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.403 9.997 -24.773 1.00 0.00 H new ATOM 128 N ASP A 17 5.890 10.810 -22.610 1.00 0.00 N ATOM 129 CA ASP A 17 7.210 10.870 -23.260 1.00 0.00 C ATOM 130 C ASP A 17 8.060 9.670 -22.830 1.00 0.00 C ATOM 131 O ASP A 17 8.290 8.790 -23.650 1.00 0.00 O ATOM 132 CB ASP A 17 7.940 12.160 -22.880 1.00 0.00 C ATOM 133 CG ASP A 17 9.100 12.440 -23.830 1.00 0.00 C ATOM 134 OD1 ASP A 17 10.130 11.740 -23.700 1.00 0.00 O ATOM 135 OD2 ASP A 17 8.930 13.350 -24.660 1.00 0.00 O ATOM 0 H ASP A 17 5.651 11.665 -22.108 1.00 0.00 H new ATOM 0 HA ASP A 17 7.059 10.849 -24.339 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.241 12.996 -22.900 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.314 12.082 -21.859 1.00 0.00 H new ATOM 137 N THR A 18 8.290 9.530 -21.530 1.00 0.00 N ATOM 138 CA THR A 18 9.010 8.370 -20.990 1.00 0.00 C ATOM 139 C THR A 18 8.420 7.030 -21.420 1.00 0.00 C ATOM 140 O THR A 18 9.140 6.140 -21.850 1.00 0.00 O ATOM 141 CB THR A 18 9.200 8.520 -19.490 1.00 0.00 C ATOM 142 OG1 THR A 18 10.320 9.370 -19.260 1.00 0.00 O ATOM 143 CG2 THR A 18 9.360 7.210 -18.750 1.00 0.00 C ATOM 0 H THR A 18 7.990 10.203 -20.825 1.00 0.00 H new ATOM 0 HA THR A 18 10.004 8.356 -21.436 1.00 0.00 H new ATOM 0 HB THR A 18 8.286 8.958 -19.089 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.707 9.170 -18.382 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.490 7.407 -17.686 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.471 6.597 -18.899 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.234 6.681 -19.131 1.00 0.00 H new ATOM 146 N LEU A 19 7.120 6.900 -21.240 1.00 0.00 N ATOM 147 CA LEU A 19 6.390 5.670 -21.610 1.00 0.00 C ATOM 148 C LEU A 19 6.590 5.310 -23.080 1.00 0.00 C ATOM 149 O LEU A 19 6.960 4.180 -23.380 1.00 0.00 O ATOM 150 CB LEU A 19 4.890 5.850 -21.340 1.00 0.00 C ATOM 151 CG LEU A 19 4.590 6.580 -20.030 1.00 0.00 C ATOM 152 CD1 LEU A 19 3.090 6.550 -19.830 1.00 0.00 C ATOM 153 CD2 LEU A 19 5.270 5.960 -18.810 1.00 0.00 C ATOM 0 H LEU A 19 6.530 7.629 -20.838 1.00 0.00 H new ATOM 0 HA LEU A 19 6.790 4.859 -21.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.444 6.404 -22.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.412 4.870 -21.319 1.00 0.00 H new ATOM 0 HG LEU A 19 4.983 7.593 -20.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.836 7.063 -18.902 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.601 7.050 -20.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.751 5.516 -19.777 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.010 6.532 -17.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.934 4.930 -18.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.351 5.976 -18.949 1.00 0.00 H new ATOM 155 N ASN A 20 6.640 6.340 -23.920 1.00 0.00 N ATOM 156 CA ASN A 20 6.960 6.220 -25.340 1.00 0.00 C ATOM 157 C ASN A 20 8.390 5.730 -25.530 1.00 0.00 C ATOM 158 O ASN A 20 8.640 4.900 -26.380 1.00 0.00 O ATOM 159 CB ASN A 20 6.880 7.580 -26.020 1.00 0.00 C ATOM 160 CG ASN A 20 6.070 7.510 -27.300 1.00 0.00 C ATOM 161 OD1 ASN A 20 6.080 6.550 -28.060 1.00 0.00 O ATOM 162 ND2 ASN A 20 5.330 8.570 -27.520 1.00 0.00 N ATOM 0 H ASN A 20 6.456 7.300 -23.628 1.00 0.00 H new ATOM 0 HA ASN A 20 6.245 5.519 -25.770 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.428 8.303 -25.340 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.885 7.937 -26.243 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.736 8.614 -28.348 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.349 9.350 -26.863 1.00 0.00 H new ATOM 166 N LEU A 21 9.280 6.110 -24.640 1.00 0.00 N ATOM 167 CA LEU A 21 10.660 5.640 -24.680 1.00 0.00 C ATOM 168 C LEU A 21 10.760 4.190 -24.160 1.00 0.00 C ATOM 169 O LEU A 21 11.590 3.460 -24.650 1.00 0.00 O ATOM 170 CB LEU A 21 11.470 6.580 -23.800 1.00 0.00 C ATOM 171 CG LEU A 21 11.270 8.080 -23.930 1.00 0.00 C ATOM 172 CD1 LEU A 21 11.990 8.780 -22.780 1.00 0.00 C ATOM 173 CD2 LEU A 21 11.680 8.620 -25.300 1.00 0.00 C ATOM 0 H LEU A 21 9.077 6.748 -23.871 1.00 0.00 H new ATOM 0 HA LEU A 21 11.038 5.639 -25.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.269 6.312 -22.763 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.524 6.373 -23.984 1.00 0.00 H new ATOM 0 HG LEU A 21 10.204 8.295 -23.860 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.851 9.858 -22.866 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.580 8.436 -21.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.054 8.547 -22.821 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.514 9.697 -25.331 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.736 8.411 -25.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.083 8.138 -26.074 1.00 0.00 H new ATOM 175 N ILE A 22 9.910 3.750 -23.240 1.00 0.00 N ATOM 176 CA ILE A 22 9.830 2.330 -22.840 1.00 0.00 C ATOM 177 C ILE A 22 9.220 1.460 -23.950 1.00 0.00 C ATOM 178 O ILE A 22 9.650 0.340 -24.190 1.00 0.00 O ATOM 179 CB ILE A 22 9.050 2.190 -21.510 1.00 0.00 C ATOM 180 CG1 ILE A 22 9.950 2.710 -20.410 1.00 0.00 C ATOM 181 CG2 ILE A 22 8.580 0.780 -21.160 1.00 0.00 C ATOM 182 CD1 ILE A 22 9.390 3.990 -19.810 1.00 0.00 C ATOM 0 H ILE A 22 9.255 4.356 -22.746 1.00 0.00 H new ATOM 0 HA ILE A 22 10.844 1.965 -22.679 1.00 0.00 H new ATOM 0 HB ILE A 22 8.128 2.761 -21.623 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.054 1.954 -19.632 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.947 2.896 -20.808 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.046 0.800 -20.210 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.915 0.413 -21.942 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.443 0.119 -21.078 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.055 4.344 -19.022 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.310 4.751 -20.586 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.403 3.794 -19.391 1.00 0.00 H new ATOM 184 N ALA A 23 8.190 2.020 -24.580 1.00 0.00 N ATOM 185 CA ALA A 23 7.450 1.370 -25.670 1.00 0.00 C ATOM 186 C ALA A 23 8.260 1.340 -26.980 1.00 0.00 C ATOM 187 O ALA A 23 8.380 0.290 -27.620 1.00 0.00 O ATOM 188 CB ALA A 23 6.110 2.080 -25.890 1.00 0.00 C ATOM 0 H ALA A 23 7.838 2.949 -24.349 1.00 0.00 H new ATOM 0 HA ALA A 23 7.269 0.336 -25.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.568 1.592 -26.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.518 2.031 -24.976 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.289 3.123 -26.151 1.00 0.00 H new ATOM 190 N SER A 24 8.940 2.450 -27.260 1.00 0.00 N ATOM 191 CA SER A 24 9.800 2.600 -28.450 1.00 0.00 C ATOM 192 C SER A 24 11.260 2.260 -28.130 1.00 0.00 C ATOM 193 O SER A 24 12.140 2.430 -28.970 1.00 0.00 O ATOM 194 CB SER A 24 9.700 4.040 -28.970 1.00 0.00 C ATOM 195 OG SER A 24 9.790 4.090 -30.390 1.00 0.00 O ATOM 0 H SER A 24 8.915 3.281 -26.669 1.00 0.00 H new ATOM 0 HA SER A 24 9.455 1.904 -29.215 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.756 4.479 -28.649 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.497 4.642 -28.533 1.00 0.00 H new ATOM 0 HG SER A 24 9.721 5.021 -30.690 1.00 0.00 H new ATOM 198 N ASP A 25 11.510 1.740 -26.920 1.00 0.00 N ATOM 199 CA ASP A 25 12.860 1.410 -26.410 1.00 0.00 C ATOM 200 C ASP A 25 13.900 2.500 -26.730 1.00 0.00 C ATOM 201 O ASP A 25 15.070 2.240 -26.980 1.00 0.00 O ATOM 202 CB ASP A 25 13.240 0.020 -26.950 1.00 0.00 C ATOM 203 CG ASP A 25 13.800 -0.880 -25.850 1.00 0.00 C ATOM 204 OD1 ASP A 25 13.120 -1.010 -24.810 1.00 0.00 O ATOM 205 OD2 ASP A 25 14.920 -1.400 -26.060 1.00 0.00 O ATOM 0 H ASP A 25 10.769 1.531 -26.251 1.00 0.00 H new ATOM 0 HA ASP A 25 12.848 1.377 -25.321 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.362 -0.450 -27.393 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.979 0.128 -27.744 1.00 0.00 H new ATOM 207 N GLY A 26 13.400 3.740 -26.700 1.00 0.00 N ATOM 208 CA GLY A 26 14.130 4.940 -27.090 1.00 0.00 C ATOM 209 C GLY A 26 13.770 5.530 -28.460 1.00 0.00 C ATOM 210 O GLY A 26 12.710 5.220 -29.020 1.00 0.00 O ATOM 0 H GLY A 26 12.447 3.937 -26.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.964 5.705 -26.332 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.196 4.711 -27.084 1.00 0.00 H new ATOM 212 N PRO A 27 14.590 6.490 -28.900 1.00 0.00 N ATOM 213 CA PRO A 27 15.740 7.040 -28.150 1.00 0.00 C ATOM 214 C PRO A 27 15.270 7.970 -27.020 1.00 0.00 C ATOM 215 O PRO A 27 14.210 8.590 -27.100 1.00 0.00 O ATOM 216 CB PRO A 27 16.590 7.770 -29.180 1.00 0.00 C ATOM 217 CG PRO A 27 15.600 8.180 -30.270 1.00 0.00 C ATOM 218 CD PRO A 27 14.480 7.120 -30.230 1.00 0.00 C ATOM 0 HA PRO A 27 16.316 6.257 -27.657 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.083 8.639 -28.744 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.374 7.125 -29.577 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.203 9.178 -30.084 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.081 8.206 -31.248 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.500 7.577 -30.369 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.605 6.385 -31.025 1.00 0.00 H new ATOM 219 N PHE A 28 15.970 7.850 -25.910 1.00 0.00 N ATOM 220 CA PHE A 28 15.630 8.610 -24.700 1.00 0.00 C ATOM 221 C PHE A 28 16.390 9.950 -24.640 1.00 0.00 C ATOM 222 O PHE A 28 17.570 9.980 -24.990 1.00 0.00 O ATOM 223 CB PHE A 28 15.930 7.790 -23.450 1.00 0.00 C ATOM 224 CG PHE A 28 15.130 6.500 -23.270 1.00 0.00 C ATOM 225 CD1 PHE A 28 15.410 5.360 -24.060 1.00 0.00 C ATOM 226 CD2 PHE A 28 14.240 6.400 -22.180 1.00 0.00 C ATOM 227 CE1 PHE A 28 14.780 4.130 -23.780 1.00 0.00 C ATOM 228 CE2 PHE A 28 13.610 5.160 -21.900 1.00 0.00 C ATOM 229 CZ PHE A 28 13.860 4.040 -22.720 1.00 0.00 C ATOM 0 H PHE A 28 16.779 7.237 -25.810 1.00 0.00 H new ATOM 0 HA PHE A 28 14.562 8.826 -24.740 1.00 0.00 H new ATOM 0 HB2 PHE A 28 16.990 7.536 -23.456 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.758 8.422 -22.579 1.00 0.00 H new ATOM 0 HD1 PHE A 28 16.109 5.432 -24.880 1.00 0.00 H new ATOM 0 HD2 PHE A 28 14.039 7.263 -21.562 1.00 0.00 H new ATOM 0 HE1 PHE A 28 15.003 3.259 -24.378 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.939 5.074 -21.058 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.343 3.110 -22.533 1.00 0.00 H new ATOM 231 N PRO A 29 15.690 11.030 -24.270 1.00 0.00 N ATOM 232 CA PRO A 29 16.280 12.380 -24.190 1.00 0.00 C ATOM 233 C PRO A 29 17.200 12.530 -22.980 1.00 0.00 C ATOM 234 O PRO A 29 18.400 12.700 -23.120 1.00 0.00 O ATOM 235 CB PRO A 29 15.080 13.330 -24.200 1.00 0.00 C ATOM 236 CG PRO A 29 13.900 12.510 -23.670 1.00 0.00 C ATOM 237 CD PRO A 29 14.250 11.060 -23.980 1.00 0.00 C ATOM 0 HA PRO A 29 16.944 12.604 -25.025 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.265 14.202 -23.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.880 13.699 -25.206 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.764 12.662 -22.599 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.968 12.802 -24.154 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.011 10.414 -23.135 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.675 10.696 -24.832 1.00 0.00 H new ATOM 238 N TYR A 30 16.620 12.380 -21.780 1.00 0.00 N ATOM 239 CA TYR A 30 17.390 12.410 -20.530 1.00 0.00 C ATOM 240 C TYR A 30 18.280 11.170 -20.410 1.00 0.00 C ATOM 241 O TYR A 30 17.800 10.080 -20.680 1.00 0.00 O ATOM 242 CB TYR A 30 16.440 12.480 -19.330 1.00 0.00 C ATOM 243 CG TYR A 30 16.190 13.920 -18.840 1.00 0.00 C ATOM 244 CD1 TYR A 30 16.550 15.040 -19.620 1.00 0.00 C ATOM 245 CD2 TYR A 30 15.560 14.070 -17.580 1.00 0.00 C ATOM 246 CE1 TYR A 30 16.260 16.330 -19.160 1.00 0.00 C ATOM 247 CE2 TYR A 30 15.270 15.360 -17.110 1.00 0.00 C ATOM 248 CZ TYR A 30 15.620 16.480 -17.910 1.00 0.00 C ATOM 249 OH TYR A 30 15.290 17.730 -17.500 1.00 0.00 O ATOM 0 H TYR A 30 15.619 12.237 -21.650 1.00 0.00 H new ATOM 0 HA TYR A 30 18.025 13.295 -20.542 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.488 12.024 -19.601 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.854 11.891 -18.512 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.048 14.902 -20.569 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.306 13.203 -16.989 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.521 17.196 -19.751 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.788 15.499 -16.154 1.00 0.00 H new ATOM 0 HH TYR A 30 14.855 17.682 -16.623 1.00 0.00 H new ATOM 252 N SER A 31 19.450 11.370 -19.790 1.00 0.00 N ATOM 253 CA SER A 31 20.380 10.260 -19.470 1.00 0.00 C ATOM 254 C SER A 31 19.780 9.230 -18.500 1.00 0.00 C ATOM 255 O SER A 31 20.300 8.130 -18.320 1.00 0.00 O ATOM 256 CB SER A 31 21.700 10.760 -18.880 1.00 0.00 C ATOM 257 OG SER A 31 22.560 11.180 -19.930 1.00 0.00 O ATOM 0 H SER A 31 19.783 12.288 -19.496 1.00 0.00 H new ATOM 0 HA SER A 31 20.565 9.775 -20.429 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.514 11.587 -18.195 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.175 9.968 -18.301 1.00 0.00 H new ATOM 0 HG SER A 31 23.405 11.502 -19.552 1.00 0.00 H new ATOM 260 N GLN A 32 18.690 9.630 -17.860 1.00 0.00 N ATOM 261 CA GLN A 32 17.950 8.800 -16.900 1.00 0.00 C ATOM 262 C GLN A 32 17.060 7.780 -17.610 1.00 0.00 C ATOM 263 O GLN A 32 15.860 7.970 -17.810 1.00 0.00 O ATOM 264 CB GLN A 32 17.150 9.710 -16.000 1.00 0.00 C ATOM 265 CG GLN A 32 17.660 9.440 -14.600 1.00 0.00 C ATOM 266 CD GLN A 32 17.390 10.620 -13.680 1.00 0.00 C ATOM 267 OE1 GLN A 32 16.610 11.520 -13.940 1.00 0.00 O ATOM 268 NE2 GLN A 32 18.040 10.660 -12.550 1.00 0.00 N ATOM 0 H GLN A 32 18.282 10.556 -17.991 1.00 0.00 H new ATOM 0 HA GLN A 32 18.652 8.223 -16.298 1.00 0.00 H new ATOM 0 HB2 GLN A 32 17.290 10.756 -16.274 1.00 0.00 H new ATOM 0 HB3 GLN A 32 16.083 9.500 -16.077 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.179 8.547 -14.201 1.00 0.00 H new ATOM 0 HG3 GLN A 32 18.731 9.238 -14.633 1.00 0.00 H new ATOM 0 HE21 GLN A 32 18.697 9.917 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.891 11.434 -11.903 1.00 0.00 H new ATOM 272 N ASP A 33 17.780 6.750 -18.050 1.00 0.00 N ATOM 273 CA ASP A 33 17.210 5.630 -18.800 1.00 0.00 C ATOM 274 C ASP A 33 18.230 4.540 -19.160 1.00 0.00 C ATOM 275 O ASP A 33 19.290 4.840 -19.690 1.00 0.00 O ATOM 276 CB ASP A 33 16.620 6.170 -20.100 1.00 0.00 C ATOM 277 CG ASP A 33 17.630 6.500 -21.190 1.00 0.00 C ATOM 278 OD1 ASP A 33 18.180 7.610 -21.150 1.00 0.00 O ATOM 279 OD2 ASP A 33 17.750 5.630 -22.080 1.00 0.00 O ATOM 0 H ASP A 33 18.785 6.668 -17.895 1.00 0.00 H new ATOM 0 HA ASP A 33 16.461 5.170 -18.156 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.916 5.436 -20.492 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.049 7.070 -19.873 1.00 0.00 H new ATOM 281 N GLY A 34 17.730 3.320 -19.080 1.00 0.00 N ATOM 282 CA GLY A 34 18.510 2.100 -19.390 1.00 0.00 C ATOM 283 C GLY A 34 19.280 1.600 -18.160 1.00 0.00 C ATOM 284 O GLY A 34 20.290 0.900 -18.270 1.00 0.00 O ATOM 0 H GLY A 34 16.768 3.130 -18.798 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.839 1.317 -19.744 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.210 2.310 -20.199 1.00 0.00 H new ATOM 286 N VAL A 35 18.760 1.970 -17.000 1.00 0.00 N ATOM 287 CA VAL A 35 19.280 1.560 -15.690 1.00 0.00 C ATOM 288 C VAL A 35 18.190 0.810 -14.920 1.00 0.00 C ATOM 289 O VAL A 35 17.010 1.140 -15.050 1.00 0.00 O ATOM 290 CB VAL A 35 19.790 2.780 -14.890 1.00 0.00 C ATOM 291 CG1 VAL A 35 21.060 3.350 -15.530 1.00 0.00 C ATOM 292 CG2 VAL A 35 18.750 3.900 -14.720 1.00 0.00 C ATOM 0 H VAL A 35 17.944 2.579 -16.934 1.00 0.00 H new ATOM 0 HA VAL A 35 20.129 0.893 -15.838 1.00 0.00 H new ATOM 0 HB VAL A 35 20.005 2.403 -13.890 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.404 4.208 -14.953 1.00 0.00 H new ATOM 0 HG12 VAL A 35 21.837 2.585 -15.541 1.00 0.00 H new ATOM 0 HG13 VAL A 35 20.844 3.663 -16.552 1.00 0.00 H new ATOM 0 HG21 VAL A 35 19.187 4.718 -14.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 18.445 4.265 -15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.880 3.511 -14.191 1.00 0.00 H new ATOM 294 N VAL A 36 18.650 -0.150 -14.130 1.00 0.00 N ATOM 295 CA VAL A 36 17.810 -0.970 -13.230 1.00 0.00 C ATOM 296 C VAL A 36 17.570 -0.230 -11.910 1.00 0.00 C ATOM 297 O VAL A 36 18.400 0.550 -11.450 1.00 0.00 O ATOM 298 CB VAL A 36 18.420 -2.380 -13.070 1.00 0.00 C ATOM 299 CG1 VAL A 36 17.990 -3.160 -11.820 1.00 0.00 C ATOM 300 CG2 VAL A 36 18.100 -3.230 -14.290 1.00 0.00 C ATOM 0 H VAL A 36 19.639 -0.396 -14.087 1.00 0.00 H new ATOM 0 HA VAL A 36 16.823 -1.122 -13.667 1.00 0.00 H new ATOM 0 HB VAL A 36 19.488 -2.194 -12.960 1.00 0.00 H new ATOM 0 HG11 VAL A 36 18.479 -4.134 -11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.276 -2.603 -10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.909 -3.297 -11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.535 -4.222 -14.167 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.019 -3.319 -14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.517 -2.760 -15.181 1.00 0.00 H new ATOM 302 N PHE A 37 16.460 -0.590 -11.290 1.00 0.00 N ATOM 303 CA PHE A 37 16.100 -0.070 -9.960 1.00 0.00 C ATOM 304 C PHE A 37 15.610 -1.220 -9.060 1.00 0.00 C ATOM 305 O PHE A 37 14.410 -1.400 -8.950 1.00 0.00 O ATOM 306 CB PHE A 37 15.020 1.000 -10.160 1.00 0.00 C ATOM 307 CG PHE A 37 14.470 1.590 -8.860 1.00 0.00 C ATOM 308 CD1 PHE A 37 15.350 2.100 -7.880 1.00 0.00 C ATOM 309 CD2 PHE A 37 13.080 1.570 -8.630 1.00 0.00 C ATOM 310 CE1 PHE A 37 14.830 2.540 -6.640 1.00 0.00 C ATOM 311 CE2 PHE A 37 12.550 2.050 -7.410 1.00 0.00 C ATOM 312 CZ PHE A 37 13.440 2.530 -6.420 1.00 0.00 C ATOM 0 H PHE A 37 15.781 -1.244 -11.680 1.00 0.00 H new ATOM 0 HA PHE A 37 16.962 0.375 -9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 37 15.432 1.807 -10.766 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.196 0.566 -10.726 1.00 0.00 H new ATOM 0 HD1 PHE A 37 16.411 2.154 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.416 1.186 -9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.498 2.883 -5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.484 2.050 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.047 2.894 -5.482 1.00 0.00 H new ATOM 314 N GLN A 38 16.500 -1.900 -8.340 1.00 0.00 N ATOM 315 CA GLN A 38 16.090 -3.020 -7.460 1.00 0.00 C ATOM 316 C GLN A 38 15.310 -2.570 -6.200 1.00 0.00 C ATOM 317 O GLN A 38 15.660 -2.870 -5.060 1.00 0.00 O ATOM 318 CB GLN A 38 17.310 -3.850 -7.060 1.00 0.00 C ATOM 319 CG GLN A 38 16.830 -5.160 -6.430 1.00 0.00 C ATOM 320 CD GLN A 38 17.270 -5.410 -4.990 1.00 0.00 C ATOM 321 OE1 GLN A 38 18.320 -5.010 -4.510 1.00 0.00 O ATOM 322 NE2 GLN A 38 16.460 -6.180 -4.290 1.00 0.00 N ATOM 0 H GLN A 38 17.502 -1.707 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 38 15.399 -3.629 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.929 -4.056 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 38 17.928 -3.296 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.741 -5.179 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 38 17.183 -5.987 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.586 -6.508 -4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.707 -6.448 -3.337 1.00 0.00 H new ATOM 326 N ASN A 39 14.260 -1.780 -6.440 1.00 0.00 N ATOM 327 CA ASN A 39 13.430 -1.090 -5.450 1.00 0.00 C ATOM 328 C ASN A 39 14.270 -0.790 -4.190 1.00 0.00 C ATOM 329 O ASN A 39 14.010 -1.330 -3.110 1.00 0.00 O ATOM 330 CB ASN A 39 12.180 -1.930 -5.190 1.00 0.00 C ATOM 331 CG ASN A 39 11.260 -1.300 -4.130 1.00 0.00 C ATOM 332 OD1 ASN A 39 11.260 -0.100 -3.880 1.00 0.00 O ATOM 333 ND2 ASN A 39 10.440 -2.130 -3.540 1.00 0.00 N ATOM 0 H ASN A 39 13.947 -1.594 -7.393 1.00 0.00 H new ATOM 0 HA ASN A 39 13.087 -0.122 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.627 -2.051 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.477 -2.927 -4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.774 -1.784 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.466 -3.123 -3.771 1.00 0.00 H new ATOM 337 N ARG A 40 15.400 -0.120 -4.420 1.00 0.00 N ATOM 338 CA ARG A 40 16.380 0.160 -3.340 1.00 0.00 C ATOM 339 C ARG A 40 15.720 0.910 -2.180 1.00 0.00 C ATOM 340 O ARG A 40 16.100 0.760 -1.020 1.00 0.00 O ATOM 341 CB ARG A 40 17.580 0.980 -3.790 1.00 0.00 C ATOM 342 CG ARG A 40 18.420 0.350 -4.900 1.00 0.00 C ATOM 343 CD ARG A 40 17.860 0.780 -6.260 1.00 0.00 C ATOM 344 NE ARG A 40 18.940 1.050 -7.220 1.00 0.00 N ATOM 345 CZ ARG A 40 19.730 0.130 -7.770 1.00 0.00 C ATOM 346 NH1 ARG A 40 19.550 -1.160 -7.540 1.00 0.00 N ATOM 347 NH2 ARG A 40 20.730 0.520 -8.550 1.00 0.00 N ATOM 0 H ARG A 40 15.669 0.242 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 40 16.734 -0.823 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.227 1.953 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.222 1.158 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.460 0.661 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.403 -0.736 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.209 -0.002 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.247 1.673 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 40 19.097 2.022 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.793 -1.469 -6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.168 -1.846 -7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.885 1.513 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 40 21.343 -0.174 -8.978 1.00 0.00 H new ATOM 354 N GLU A 41 14.670 1.620 -2.540 1.00 0.00 N ATOM 355 CA GLU A 41 13.810 2.320 -1.590 1.00 0.00 C ATOM 356 C GLU A 41 12.840 1.420 -0.830 1.00 0.00 C ATOM 357 O GLU A 41 12.180 1.890 0.090 1.00 0.00 O ATOM 358 CB GLU A 41 13.050 3.410 -2.310 1.00 0.00 C ATOM 359 CG GLU A 41 13.550 4.730 -1.740 1.00 0.00 C ATOM 360 CD GLU A 41 12.620 5.890 -2.050 1.00 0.00 C ATOM 361 OE1 GLU A 41 11.860 5.760 -3.040 1.00 0.00 O ATOM 362 OE2 GLU A 41 12.790 6.890 -1.320 1.00 0.00 O ATOM 0 H GLU A 41 14.381 1.732 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 41 14.472 2.739 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.224 3.360 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.976 3.302 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.660 4.636 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.539 4.944 -2.144 1.00 0.00 H new ATOM 364 N SER A 42 12.700 0.160 -1.270 1.00 0.00 N ATOM 365 CA SER A 42 11.770 -0.830 -0.690 1.00 0.00 C ATOM 366 C SER A 42 10.370 -0.230 -0.440 1.00 0.00 C ATOM 367 O SER A 42 9.730 -0.410 0.590 1.00 0.00 O ATOM 368 CB SER A 42 12.400 -1.460 0.550 1.00 0.00 C ATOM 369 OG SER A 42 11.560 -2.480 1.100 1.00 0.00 O ATOM 0 H SER A 42 13.239 -0.209 -2.053 1.00 0.00 H new ATOM 0 HA SER A 42 11.602 -1.631 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.370 -1.885 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.579 -0.690 1.300 1.00 0.00 H new ATOM 0 HG SER A 42 10.654 -2.127 1.222 1.00 0.00 H new ATOM 372 N VAL A 43 9.940 0.570 -1.410 1.00 0.00 N ATOM 373 CA VAL A 43 8.640 1.260 -1.330 1.00 0.00 C ATOM 374 C VAL A 43 7.640 0.660 -2.330 1.00 0.00 C ATOM 375 O VAL A 43 6.420 0.800 -2.210 1.00 0.00 O ATOM 376 CB VAL A 43 8.830 2.790 -1.440 1.00 0.00 C ATOM 377 CG1 VAL A 43 7.510 3.560 -1.580 1.00 0.00 C ATOM 378 CG2 VAL A 43 9.490 3.350 -0.180 1.00 0.00 C ATOM 0 H VAL A 43 10.466 0.762 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 43 8.193 1.094 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 43 9.442 2.925 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.717 4.628 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.990 3.230 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.884 3.370 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.613 4.428 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.862 3.137 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.466 2.885 -0.043 1.00 0.00 H new ATOM 380 N LEU A 44 8.190 -0.050 -3.310 1.00 0.00 N ATOM 381 CA LEU A 44 7.380 -0.610 -4.400 1.00 0.00 C ATOM 382 C LEU A 44 6.880 -2.000 -3.980 1.00 0.00 C ATOM 383 O LEU A 44 7.570 -2.650 -3.190 1.00 0.00 O ATOM 384 CB LEU A 44 8.180 -0.640 -5.720 1.00 0.00 C ATOM 385 CG LEU A 44 8.770 0.700 -6.210 1.00 0.00 C ATOM 386 CD1 LEU A 44 8.250 1.060 -7.590 1.00 0.00 C ATOM 387 CD2 LEU A 44 8.380 1.910 -5.400 1.00 0.00 C ATOM 0 H LEU A 44 9.187 -0.254 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 44 6.513 0.023 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.000 -1.349 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.529 -1.030 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 44 9.842 0.513 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.684 2.008 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.528 0.280 -8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.164 1.151 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.846 2.799 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.296 2.025 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.716 1.783 -4.371 1.00 0.00 H new ATOM 389 N PRO A 45 5.710 -2.430 -4.460 1.00 0.00 N ATOM 390 CA PRO A 45 5.120 -3.730 -4.090 1.00 0.00 C ATOM 391 C PRO A 45 5.820 -4.900 -4.790 1.00 0.00 C ATOM 392 O PRO A 45 5.180 -5.780 -5.360 1.00 0.00 O ATOM 393 CB PRO A 45 3.640 -3.580 -4.470 1.00 0.00 C ATOM 394 CG PRO A 45 3.650 -2.630 -5.660 1.00 0.00 C ATOM 395 CD PRO A 45 4.820 -1.690 -5.380 1.00 0.00 C ATOM 0 HA PRO A 45 5.239 -3.969 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.198 -4.541 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.056 -3.175 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.787 -3.168 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.711 -2.083 -5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.340 -1.425 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.476 -0.759 -4.929 1.00 0.00 H new ATOM 396 N THR A 46 7.140 -4.920 -4.650 1.00 0.00 N ATOM 397 CA THR A 46 8.030 -5.920 -5.270 1.00 0.00 C ATOM 398 C THR A 46 9.340 -5.960 -4.450 1.00 0.00 C ATOM 399 O THR A 46 9.320 -5.620 -3.270 1.00 0.00 O ATOM 400 CB THR A 46 8.250 -5.570 -6.750 1.00 0.00 C ATOM 401 OG1 THR A 46 7.060 -5.020 -7.340 1.00 0.00 O ATOM 402 CG2 THR A 46 8.630 -6.800 -7.590 1.00 0.00 C ATOM 0 H THR A 46 7.642 -4.230 -4.091 1.00 0.00 H new ATOM 0 HA THR A 46 7.591 -6.918 -5.256 1.00 0.00 H new ATOM 0 HB THR A 46 9.064 -4.845 -6.757 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.231 -4.097 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.775 -6.501 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.553 -7.232 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.832 -7.540 -7.534 1.00 0.00 H new ATOM 405 N GLN A 47 10.470 -6.240 -5.100 1.00 0.00 N ATOM 406 CA GLN A 47 11.800 -6.460 -4.490 1.00 0.00 C ATOM 407 C GLN A 47 12.790 -7.010 -5.530 1.00 0.00 C ATOM 408 O GLN A 47 14.000 -6.780 -5.410 1.00 0.00 O ATOM 409 CB GLN A 47 11.730 -7.410 -3.280 1.00 0.00 C ATOM 410 CG GLN A 47 13.080 -7.970 -2.810 1.00 0.00 C ATOM 411 CD GLN A 47 13.180 -8.050 -1.290 1.00 0.00 C ATOM 412 OE1 GLN A 47 12.550 -8.850 -0.620 1.00 0.00 O ATOM 413 NE2 GLN A 47 14.010 -7.190 -0.750 1.00 0.00 N ATOM 0 H GLN A 47 10.494 -6.326 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 47 12.152 -5.492 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.265 -6.880 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.076 -8.245 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.225 -8.964 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.884 -7.340 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.521 -6.534 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.144 -7.177 0.261 1.00 0.00 H new ATOM 417 N SER A 48 12.290 -7.840 -6.430 1.00 0.00 N ATOM 418 CA SER A 48 13.090 -8.460 -7.510 1.00 0.00 C ATOM 419 C SER A 48 14.130 -7.520 -8.120 1.00 0.00 C ATOM 420 O SER A 48 13.990 -6.290 -8.120 1.00 0.00 O ATOM 421 CB SER A 48 12.170 -9.010 -8.600 1.00 0.00 C ATOM 422 OG SER A 48 11.280 -7.990 -9.040 1.00 0.00 O ATOM 0 H SER A 48 11.308 -8.115 -6.444 1.00 0.00 H new ATOM 0 HA SER A 48 13.648 -9.274 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.763 -9.375 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.604 -9.859 -8.217 1.00 0.00 H new ATOM 0 HG SER A 48 10.694 -8.347 -9.740 1.00 0.00 H new ATOM 425 N TYR A 49 15.210 -8.140 -8.560 1.00 0.00 N ATOM 426 CA TYR A 49 16.390 -7.420 -9.090 1.00 0.00 C ATOM 427 C TYR A 49 16.390 -7.510 -10.610 1.00 0.00 C ATOM 428 O TYR A 49 16.140 -8.570 -11.170 1.00 0.00 O ATOM 429 CB TYR A 49 17.670 -8.040 -8.500 1.00 0.00 C ATOM 430 CG TYR A 49 18.940 -7.220 -8.790 1.00 0.00 C ATOM 431 CD1 TYR A 49 19.420 -7.130 -10.120 1.00 0.00 C ATOM 432 CD2 TYR A 49 19.610 -6.570 -7.730 1.00 0.00 C ATOM 433 CE1 TYR A 49 20.550 -6.350 -10.400 1.00 0.00 C ATOM 434 CE2 TYR A 49 20.750 -5.790 -8.010 1.00 0.00 C ATOM 435 CZ TYR A 49 21.200 -5.690 -9.340 1.00 0.00 C ATOM 436 OH TYR A 49 22.310 -4.970 -9.630 1.00 0.00 O ATOM 0 H TYR A 49 15.310 -9.155 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 49 16.352 -6.369 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 49 17.551 -8.141 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.796 -9.045 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 49 18.917 -7.660 -10.915 1.00 0.00 H new ATOM 0 HD2 TYR A 49 19.253 -6.670 -6.716 1.00 0.00 H new ATOM 0 HE1 TYR A 49 20.916 -6.257 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 49 21.271 -5.276 -7.215 1.00 0.00 H new ATOM 0 HH TYR A 49 22.661 -4.565 -8.810 1.00 0.00 H new ATOM 439 N GLY A 50 16.600 -6.350 -11.230 1.00 0.00 N ATOM 440 CA GLY A 50 16.670 -6.280 -12.710 1.00 0.00 C ATOM 441 C GLY A 50 15.300 -6.170 -13.370 1.00 0.00 C ATOM 442 O GLY A 50 15.170 -5.660 -14.470 1.00 0.00 O ATOM 0 H GLY A 50 16.724 -5.457 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.276 -5.421 -12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.177 -7.168 -13.086 1.00 0.00 H new ATOM 444 N TYR A 51 14.270 -6.540 -12.600 1.00 0.00 N ATOM 445 CA TYR A 51 12.860 -6.480 -12.990 1.00 0.00 C ATOM 446 C TYR A 51 12.290 -5.050 -12.980 1.00 0.00 C ATOM 447 O TYR A 51 11.090 -4.850 -13.110 1.00 0.00 O ATOM 448 CB TYR A 51 12.080 -7.340 -12.000 1.00 0.00 C ATOM 449 CG TYR A 51 11.170 -8.380 -12.670 1.00 0.00 C ATOM 450 CD1 TYR A 51 11.760 -9.500 -13.280 1.00 0.00 C ATOM 451 CD2 TYR A 51 9.770 -8.170 -12.680 1.00 0.00 C ATOM 452 CE1 TYR A 51 10.950 -10.430 -13.960 1.00 0.00 C ATOM 453 CE2 TYR A 51 8.950 -9.110 -13.350 1.00 0.00 C ATOM 454 CZ TYR A 51 9.550 -10.210 -14.000 1.00 0.00 C ATOM 455 OH TYR A 51 8.780 -11.050 -14.740 1.00 0.00 O ATOM 0 H TYR A 51 14.402 -6.902 -11.656 1.00 0.00 H new ATOM 0 HA TYR A 51 12.769 -6.841 -14.015 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.784 -7.854 -11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.473 -6.692 -11.369 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.829 -9.647 -13.228 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.337 -7.312 -12.188 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.386 -11.293 -14.441 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.877 -8.987 -13.364 1.00 0.00 H new ATOM 0 HH TYR A 51 7.841 -10.778 -14.672 1.00 0.00 H new ATOM 458 N TYR A 52 13.150 -4.100 -12.660 1.00 0.00 N ATOM 459 CA TYR A 52 12.800 -2.680 -12.560 1.00 0.00 C ATOM 460 C TYR A 52 13.810 -1.840 -13.340 1.00 0.00 C ATOM 461 O TYR A 52 14.980 -2.210 -13.380 1.00 0.00 O ATOM 462 CB TYR A 52 12.960 -2.290 -11.120 1.00 0.00 C ATOM 463 CG TYR A 52 11.730 -2.490 -10.260 1.00 0.00 C ATOM 464 CD1 TYR A 52 11.310 -3.780 -9.880 1.00 0.00 C ATOM 465 CD2 TYR A 52 11.050 -1.320 -9.890 1.00 0.00 C ATOM 466 CE1 TYR A 52 10.140 -3.890 -9.110 1.00 0.00 C ATOM 467 CE2 TYR A 52 9.890 -1.440 -9.110 1.00 0.00 C ATOM 468 CZ TYR A 52 9.450 -2.720 -8.740 1.00 0.00 C ATOM 469 OH TYR A 52 8.270 -2.800 -8.070 1.00 0.00 O ATOM 0 H TYR A 52 14.132 -4.289 -12.457 1.00 0.00 H new ATOM 0 HA TYR A 52 11.792 -2.521 -12.942 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.781 -2.866 -10.693 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.250 -1.240 -11.074 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.870 -4.657 -10.171 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.411 -0.350 -10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.775 -4.860 -8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.344 -0.561 -8.799 1.00 0.00 H new ATOM 0 HH TYR A 52 7.552 -2.432 -8.626 1.00 0.00 H new ATOM 472 N HIS A 53 13.380 -0.620 -13.600 1.00 0.00 N ATOM 473 CA HIS A 53 14.160 0.370 -14.360 1.00 0.00 C ATOM 474 C HIS A 53 13.670 1.790 -14.070 1.00 0.00 C ATOM 475 O HIS A 53 12.570 2.000 -13.560 1.00 0.00 O ATOM 476 CB HIS A 53 14.090 0.090 -15.870 1.00 0.00 C ATOM 477 CG HIS A 53 14.700 -1.260 -16.280 1.00 0.00 C ATOM 478 ND1 HIS A 53 14.010 -2.380 -16.470 1.00 0.00 N ATOM 479 CD2 HIS A 53 15.990 -1.550 -16.450 1.00 0.00 C ATOM 480 CE1 HIS A 53 14.860 -3.360 -16.750 1.00 0.00 C ATOM 481 NE2 HIS A 53 16.080 -2.840 -16.740 1.00 0.00 N ATOM 0 H HIS A 53 12.472 -0.273 -13.292 1.00 0.00 H new ATOM 0 HA HIS A 53 15.198 0.285 -14.040 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.048 0.118 -16.187 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.607 0.888 -16.402 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.814 -0.857 -16.366 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.605 -4.390 -16.949 1.00 0.00 H new ATOM 0 HE2 HIS A 53 16.945 -3.349 -16.925 1.00 0.00 H new ATOM 485 N GLU A 54 14.570 2.740 -14.300 1.00 0.00 N ATOM 486 CA GLU A 54 14.300 4.160 -14.040 1.00 0.00 C ATOM 487 C GLU A 54 14.310 4.930 -15.360 1.00 0.00 C ATOM 488 O GLU A 54 15.180 4.710 -16.200 1.00 0.00 O ATOM 489 CB GLU A 54 15.380 4.760 -13.150 1.00 0.00 C ATOM 490 CG GLU A 54 15.370 4.120 -11.770 1.00 0.00 C ATOM 491 CD GLU A 54 16.800 3.800 -11.300 1.00 0.00 C ATOM 492 OE1 GLU A 54 17.480 3.090 -12.050 1.00 0.00 O ATOM 493 OE2 GLU A 54 17.150 4.190 -10.160 1.00 0.00 O ATOM 0 H GLU A 54 15.503 2.555 -14.669 1.00 0.00 H new ATOM 0 HA GLU A 54 13.330 4.234 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.357 4.619 -13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.224 5.835 -13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.891 4.791 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.778 3.205 -11.794 1.00 0.00 H new ATOM 495 N TYR A 55 13.330 5.820 -15.470 1.00 0.00 N ATOM 496 CA TYR A 55 13.080 6.610 -16.690 1.00 0.00 C ATOM 497 C TYR A 55 12.410 7.950 -16.360 1.00 0.00 C ATOM 498 O TYR A 55 11.240 8.190 -16.660 1.00 0.00 O ATOM 499 CB TYR A 55 12.170 5.790 -17.620 1.00 0.00 C ATOM 500 CG TYR A 55 12.760 4.470 -18.080 1.00 0.00 C ATOM 501 CD1 TYR A 55 13.940 4.480 -18.850 1.00 0.00 C ATOM 502 CD2 TYR A 55 12.110 3.270 -17.760 1.00 0.00 C ATOM 503 CE1 TYR A 55 14.480 3.280 -19.320 1.00 0.00 C ATOM 504 CE2 TYR A 55 12.640 2.060 -18.270 1.00 0.00 C ATOM 505 CZ TYR A 55 13.810 2.080 -19.040 1.00 0.00 C ATOM 506 OH TYR A 55 14.320 0.910 -19.510 1.00 0.00 O ATOM 0 H TYR A 55 12.676 6.022 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 55 14.032 6.826 -17.175 1.00 0.00 H new ATOM 0 HB2 TYR A 55 11.230 5.593 -17.105 1.00 0.00 H new ATOM 0 HB3 TYR A 55 11.933 6.392 -18.497 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.428 5.416 -19.077 1.00 0.00 H new ATOM 0 HD2 TYR A 55 11.226 3.268 -17.139 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.398 3.277 -19.889 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.143 1.123 -18.066 1.00 0.00 H new ATOM 0 HH TYR A 55 13.744 0.167 -19.232 1.00 0.00 H new ATOM 509 N THR A 56 13.150 8.800 -15.660 1.00 0.00 N ATOM 510 CA THR A 56 12.640 10.140 -15.280 1.00 0.00 C ATOM 511 C THR A 56 11.820 10.800 -16.380 1.00 0.00 C ATOM 512 O THR A 56 12.140 10.760 -17.560 1.00 0.00 O ATOM 513 CB THR A 56 13.790 11.060 -14.890 1.00 0.00 C ATOM 514 OG1 THR A 56 14.300 10.530 -13.680 1.00 0.00 O ATOM 515 CG2 THR A 56 13.500 12.560 -14.710 1.00 0.00 C ATOM 0 H THR A 56 14.098 8.602 -15.340 1.00 0.00 H new ATOM 0 HA THR A 56 11.979 9.982 -14.428 1.00 0.00 H new ATOM 0 HB THR A 56 14.479 11.064 -15.735 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.043 11.087 -13.366 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.419 13.078 -14.433 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.119 12.972 -15.645 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.757 12.695 -13.924 1.00 0.00 H new ATOM 518 N VAL A 57 10.710 11.330 -15.900 1.00 0.00 N ATOM 519 CA VAL A 57 9.800 12.050 -16.780 1.00 0.00 C ATOM 520 C VAL A 57 10.270 13.500 -16.840 1.00 0.00 C ATOM 521 O VAL A 57 10.180 14.220 -15.850 1.00 0.00 O ATOM 522 CB VAL A 57 8.360 11.830 -16.340 1.00 0.00 C ATOM 523 CG1 VAL A 57 7.430 13.040 -16.350 1.00 0.00 C ATOM 524 CG2 VAL A 57 7.810 10.840 -17.350 1.00 0.00 C ATOM 0 H VAL A 57 10.418 11.279 -14.924 1.00 0.00 H new ATOM 0 HA VAL A 57 9.816 11.676 -17.804 1.00 0.00 H new ATOM 0 HB VAL A 57 8.388 11.520 -15.295 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.438 12.739 -16.014 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.822 13.806 -15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.365 13.440 -17.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.769 10.619 -17.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.871 11.269 -18.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.394 9.920 -17.313 1.00 0.00 H new ATOM 526 N ILE A 58 10.810 13.850 -18.010 1.00 0.00 N ATOM 527 CA ILE A 58 11.090 15.270 -18.350 1.00 0.00 C ATOM 528 C ILE A 58 9.900 16.140 -17.920 1.00 0.00 C ATOM 529 O ILE A 58 8.790 15.630 -17.910 1.00 0.00 O ATOM 530 CB ILE A 58 11.400 15.390 -19.850 1.00 0.00 C ATOM 531 CG1 ILE A 58 12.910 15.440 -19.950 1.00 0.00 C ATOM 532 CG2 ILE A 58 10.830 16.580 -20.640 1.00 0.00 C ATOM 533 CD1 ILE A 58 13.400 14.290 -20.810 1.00 0.00 C ATOM 0 H ILE A 58 11.065 13.185 -18.740 1.00 0.00 H new ATOM 0 HA ILE A 58 11.967 15.628 -17.811 1.00 0.00 H new ATOM 0 HB ILE A 58 10.903 14.538 -20.314 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.225 16.390 -20.381 1.00 0.00 H new ATOM 0 HG13 ILE A 58 13.353 15.379 -18.956 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.145 16.510 -21.681 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.741 16.563 -20.588 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.199 17.512 -20.211 1.00 0.00 H new ATOM 0 HD11 ILE A 58 14.487 14.327 -20.882 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.098 13.344 -20.360 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.968 14.372 -21.807 1.00 0.00 H new ATOM 535 N THR A 59 10.170 17.420 -17.730 1.00 0.00 N ATOM 536 CA THR A 59 9.160 18.430 -17.380 1.00 0.00 C ATOM 537 C THR A 59 9.590 19.850 -17.770 1.00 0.00 C ATOM 538 O THR A 59 10.790 20.140 -17.750 1.00 0.00 O ATOM 539 CB THR A 59 8.740 18.260 -15.900 1.00 0.00 C ATOM 540 OG1 THR A 59 7.830 17.160 -15.900 1.00 0.00 O ATOM 541 CG2 THR A 59 8.020 19.450 -15.260 1.00 0.00 C ATOM 0 H THR A 59 11.111 17.803 -17.814 1.00 0.00 H new ATOM 0 HA THR A 59 8.264 18.264 -17.978 1.00 0.00 H new ATOM 0 HB THR A 59 9.650 18.133 -15.314 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.017 17.408 -15.413 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.776 19.214 -14.224 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.668 20.326 -15.289 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.103 19.659 -15.810 1.00 0.00 H new ATOM 544 N PRO A 60 8.650 20.680 -18.250 1.00 0.00 N ATOM 545 CA PRO A 60 8.930 22.090 -18.580 1.00 0.00 C ATOM 546 C PRO A 60 9.130 22.920 -17.310 1.00 0.00 C ATOM 547 O PRO A 60 8.630 22.570 -16.240 1.00 0.00 O ATOM 548 CB PRO A 60 7.720 22.560 -19.390 1.00 0.00 C ATOM 549 CG PRO A 60 6.570 21.690 -18.890 1.00 0.00 C ATOM 550 CD PRO A 60 7.250 20.360 -18.570 1.00 0.00 C ATOM 0 HA PRO A 60 9.852 22.206 -19.149 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.518 23.619 -19.226 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.882 22.429 -20.460 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.093 22.120 -18.009 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.795 21.574 -19.647 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.762 19.866 -17.730 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.191 19.679 -19.419 1.00 0.00 H new ATOM 551 N GLY A 61 10.030 23.890 -17.450 1.00 0.00 N ATOM 552 CA GLY A 61 10.460 24.760 -16.340 1.00 0.00 C ATOM 553 C GLY A 61 11.020 23.960 -15.150 1.00 0.00 C ATOM 554 O GLY A 61 10.950 24.400 -14.000 1.00 0.00 O ATOM 0 H GLY A 61 10.488 24.102 -18.337 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.221 25.453 -16.699 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.615 25.361 -16.005 1.00 0.00 H new ATOM 556 N ALA A 62 11.580 22.800 -15.460 1.00 0.00 N ATOM 557 CA ALA A 62 12.180 21.910 -14.460 1.00 0.00 C ATOM 558 C ALA A 62 13.640 22.330 -14.360 1.00 0.00 C ATOM 559 O ALA A 62 14.470 21.960 -15.190 1.00 0.00 O ATOM 560 CB ALA A 62 12.030 20.450 -14.880 1.00 0.00 C ATOM 0 H ALA A 62 11.634 22.443 -16.414 1.00 0.00 H new ATOM 0 HA ALA A 62 11.689 21.990 -13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.481 19.806 -14.125 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.972 20.207 -14.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.529 20.293 -15.836 1.00 0.00 H new ATOM 562 N ARG A 63 13.870 23.280 -13.440 1.00 0.00 N ATOM 563 CA ARG A 63 15.230 23.780 -13.120 1.00 0.00 C ATOM 564 C ARG A 63 16.290 22.670 -13.090 1.00 0.00 C ATOM 565 O ARG A 63 17.460 22.890 -13.400 1.00 0.00 O ATOM 566 CB ARG A 63 15.260 24.470 -11.750 1.00 0.00 C ATOM 567 CG ARG A 63 15.030 25.980 -11.870 1.00 0.00 C ATOM 568 CD ARG A 63 13.770 26.430 -11.120 1.00 0.00 C ATOM 569 NE ARG A 63 12.680 26.700 -12.070 1.00 0.00 N ATOM 570 CZ ARG A 63 12.500 27.820 -12.770 1.00 0.00 C ATOM 571 NH1 ARG A 63 13.340 28.840 -12.690 1.00 0.00 N ATOM 572 NH2 ARG A 63 11.460 27.920 -13.580 1.00 0.00 N ATOM 0 H ARG A 63 13.130 23.725 -12.897 1.00 0.00 H new ATOM 0 HA ARG A 63 15.467 24.481 -13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 63 14.495 24.035 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 63 16.221 24.285 -11.271 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.896 26.511 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.942 26.251 -12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.464 25.658 -10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.985 27.326 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 63 11.994 25.957 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.155 28.783 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.173 29.683 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.804 27.144 -13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.314 28.773 -14.120 1.00 0.00 H new ATOM 579 N THR A 64 15.830 21.500 -12.670 1.00 0.00 N ATOM 580 CA THR A 64 16.660 20.290 -12.590 1.00 0.00 C ATOM 581 C THR A 64 15.930 19.110 -13.270 1.00 0.00 C ATOM 582 O THR A 64 14.910 19.300 -13.940 1.00 0.00 O ATOM 583 CB THR A 64 16.950 20.000 -11.100 1.00 0.00 C ATOM 584 OG1 THR A 64 15.730 19.650 -10.440 1.00 0.00 O ATOM 585 CG2 THR A 64 17.640 21.180 -10.400 1.00 0.00 C ATOM 0 H THR A 64 14.865 21.355 -12.372 1.00 0.00 H new ATOM 0 HA THR A 64 17.606 20.432 -13.113 1.00 0.00 H new ATOM 0 HB THR A 64 17.646 19.163 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.911 19.464 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.822 20.927 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.589 21.391 -10.893 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.999 22.060 -10.454 1.00 0.00 H new ATOM 588 N ARG A 65 16.350 17.900 -12.940 1.00 0.00 N ATOM 589 CA ARG A 65 15.660 16.660 -13.380 1.00 0.00 C ATOM 590 C ARG A 65 14.210 16.550 -12.910 1.00 0.00 C ATOM 591 O ARG A 65 13.440 15.780 -13.470 1.00 0.00 O ATOM 592 CB ARG A 65 16.450 15.430 -12.960 1.00 0.00 C ATOM 593 CG ARG A 65 17.490 15.150 -14.030 1.00 0.00 C ATOM 594 CD ARG A 65 18.210 13.830 -13.800 1.00 0.00 C ATOM 595 NE ARG A 65 19.500 13.940 -13.120 1.00 0.00 N ATOM 596 CZ ARG A 65 19.730 14.130 -11.820 1.00 0.00 C ATOM 597 NH1 ARG A 65 18.770 14.180 -10.900 1.00 0.00 N ATOM 598 NH2 ARG A 65 20.990 14.250 -11.420 1.00 0.00 N ATOM 0 H ARG A 65 17.174 17.731 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 65 15.617 16.717 -14.468 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.931 15.597 -11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.786 14.574 -12.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.008 15.133 -15.007 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.218 15.961 -14.048 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.562 13.177 -13.215 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.364 13.345 -14.764 1.00 0.00 H new ATOM 0 HE ARG A 65 20.326 13.862 -13.713 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.794 14.070 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.010 14.328 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.748 14.196 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.200 14.396 -10.433 1.00 0.00 H new ATOM 605 N GLY A 66 13.870 17.400 -11.940 1.00 0.00 N ATOM 606 CA GLY A 66 12.550 17.450 -11.320 1.00 0.00 C ATOM 607 C GLY A 66 12.370 16.170 -10.520 1.00 0.00 C ATOM 608 O GLY A 66 12.780 15.070 -10.890 1.00 0.00 O ATOM 0 H GLY A 66 14.520 18.086 -11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.464 18.322 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.773 17.540 -12.079 1.00 0.00 H new ATOM 610 N THR A 67 11.780 16.360 -9.360 1.00 0.00 N ATOM 611 CA THR A 67 11.390 15.260 -8.460 1.00 0.00 C ATOM 612 C THR A 67 10.650 14.110 -9.180 1.00 0.00 C ATOM 613 O THR A 67 10.710 12.940 -8.800 1.00 0.00 O ATOM 614 CB THR A 67 10.560 15.860 -7.330 1.00 0.00 C ATOM 615 OG1 THR A 67 9.490 16.610 -7.900 1.00 0.00 O ATOM 616 CG2 THR A 67 11.390 16.720 -6.370 1.00 0.00 C ATOM 0 H THR A 67 11.549 17.285 -8.998 1.00 0.00 H new ATOM 0 HA THR A 67 12.290 14.791 -8.062 1.00 0.00 H new ATOM 0 HB THR A 67 10.166 15.044 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.657 16.098 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.744 17.119 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.172 16.110 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.845 17.544 -6.920 1.00 0.00 H new ATOM 619 N ARG A 68 9.970 14.460 -10.270 1.00 0.00 N ATOM 620 CA ARG A 68 9.370 13.470 -11.190 1.00 0.00 C ATOM 621 C ARG A 68 10.350 12.390 -11.620 1.00 0.00 C ATOM 622 O ARG A 68 11.500 12.620 -11.970 1.00 0.00 O ATOM 623 CB ARG A 68 8.860 14.140 -12.450 1.00 0.00 C ATOM 624 CG ARG A 68 7.450 14.640 -12.190 1.00 0.00 C ATOM 625 CD ARG A 68 7.050 15.680 -13.230 1.00 0.00 C ATOM 626 NE ARG A 68 7.970 16.820 -13.060 1.00 0.00 N ATOM 627 CZ ARG A 68 7.860 17.790 -12.160 1.00 0.00 C ATOM 628 NH1 ARG A 68 6.860 17.820 -11.290 1.00 0.00 N ATOM 629 NH2 ARG A 68 8.780 18.740 -12.110 1.00 0.00 N ATOM 0 H ARG A 68 9.815 15.429 -10.548 1.00 0.00 H new ATOM 0 HA ARG A 68 8.556 13.012 -10.629 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.511 14.969 -12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.865 13.436 -13.282 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.751 13.804 -12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.390 15.074 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.124 15.269 -14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.015 15.992 -13.088 1.00 0.00 H new ATOM 0 HE ARG A 68 8.767 16.868 -13.695 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.152 17.086 -11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.799 18.577 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.566 18.723 -12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.703 19.489 -11.422 1.00 0.00 H new ATOM 636 N ARG A 69 9.820 11.180 -11.530 1.00 0.00 N ATOM 637 CA ARG A 69 10.570 9.970 -11.880 1.00 0.00 C ATOM 638 C ARG A 69 9.610 8.830 -12.170 1.00 0.00 C ATOM 639 O ARG A 69 8.630 8.610 -11.450 1.00 0.00 O ATOM 640 CB ARG A 69 11.490 9.620 -10.710 1.00 0.00 C ATOM 641 CG ARG A 69 12.960 9.470 -11.080 1.00 0.00 C ATOM 642 CD ARG A 69 13.170 8.230 -11.940 1.00 0.00 C ATOM 643 NE ARG A 69 14.240 7.420 -11.340 1.00 0.00 N ATOM 644 CZ ARG A 69 15.540 7.690 -11.390 1.00 0.00 C ATOM 645 NH1 ARG A 69 16.010 8.750 -12.020 1.00 0.00 N ATOM 646 NH2 ARG A 69 16.420 6.930 -10.780 1.00 0.00 N ATOM 0 H ARG A 69 8.866 11.003 -11.216 1.00 0.00 H new ATOM 0 HA ARG A 69 11.167 10.140 -12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.398 10.395 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.146 8.689 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.298 10.355 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.563 9.399 -10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.248 7.652 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.437 8.516 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 69 13.960 6.576 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.369 9.391 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.014 8.928 -12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.111 6.113 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.413 7.157 -10.832 1.00 0.00 H new ATOM 653 N ILE A 70 9.900 8.160 -13.280 1.00 0.00 N ATOM 654 CA ILE A 70 9.140 6.980 -13.700 1.00 0.00 C ATOM 655 C ILE A 70 9.960 5.730 -13.410 1.00 0.00 C ATOM 656 O ILE A 70 11.150 5.650 -13.740 1.00 0.00 O ATOM 657 CB ILE A 70 8.690 7.070 -15.170 1.00 0.00 C ATOM 658 CG1 ILE A 70 7.410 7.900 -15.150 1.00 0.00 C ATOM 659 CG2 ILE A 70 8.540 5.710 -15.890 1.00 0.00 C ATOM 660 CD1 ILE A 70 6.550 7.940 -16.410 1.00 0.00 C ATOM 0 H ILE A 70 10.660 8.413 -13.911 1.00 0.00 H new ATOM 0 HA ILE A 70 8.216 6.928 -13.124 1.00 0.00 H new ATOM 0 HB ILE A 70 9.464 7.544 -15.774 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.788 7.530 -14.335 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.683 8.926 -14.902 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.220 5.876 -16.919 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.498 5.189 -15.888 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.796 5.104 -15.372 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.678 8.571 -16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.133 8.347 -17.236 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.223 6.931 -16.660 1.00 0.00 H new ATOM 662 N ILE A 71 9.220 4.740 -12.950 1.00 0.00 N ATOM 663 CA ILE A 71 9.820 3.450 -12.620 1.00 0.00 C ATOM 664 C ILE A 71 9.020 2.340 -13.310 1.00 0.00 C ATOM 665 O ILE A 71 7.870 2.100 -12.980 1.00 0.00 O ATOM 666 CB ILE A 71 9.900 3.230 -11.110 1.00 0.00 C ATOM 667 CG1 ILE A 71 10.440 4.440 -10.310 1.00 0.00 C ATOM 668 CG2 ILE A 71 10.700 1.960 -10.830 1.00 0.00 C ATOM 669 CD1 ILE A 71 11.820 4.970 -10.710 1.00 0.00 C ATOM 0 H ILE A 71 8.213 4.796 -12.796 1.00 0.00 H new ATOM 0 HA ILE A 71 10.847 3.433 -12.984 1.00 0.00 H new ATOM 0 HB ILE A 71 8.877 3.113 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.723 5.256 -10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.474 4.163 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 71 10.760 1.798 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.206 1.108 -11.298 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.705 2.066 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.083 5.816 -10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.562 4.181 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.799 5.291 -11.752 1.00 0.00 H new ATOM 671 N THR A 72 9.640 1.710 -14.280 1.00 0.00 N ATOM 672 CA THR A 72 9.000 0.610 -15.020 1.00 0.00 C ATOM 673 C THR A 72 9.450 -0.760 -14.490 1.00 0.00 C ATOM 674 O THR A 72 10.420 -0.860 -13.740 1.00 0.00 O ATOM 675 CB THR A 72 9.340 0.730 -16.500 1.00 0.00 C ATOM 676 OG1 THR A 72 10.740 0.960 -16.570 1.00 0.00 O ATOM 677 CG2 THR A 72 8.550 1.870 -17.160 1.00 0.00 C ATOM 0 H THR A 72 10.588 1.929 -14.587 1.00 0.00 H new ATOM 0 HA THR A 72 7.922 0.685 -14.879 1.00 0.00 H new ATOM 0 HB THR A 72 9.068 -0.176 -17.041 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.924 1.661 -17.230 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.813 1.932 -18.216 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.482 1.676 -17.063 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.793 2.813 -16.670 1.00 0.00 H new ATOM 680 N GLY A 73 8.670 -1.760 -14.860 1.00 0.00 N ATOM 681 CA GLY A 73 8.900 -3.160 -14.480 1.00 0.00 C ATOM 682 C GLY A 73 9.380 -3.960 -15.690 1.00 0.00 C ATOM 683 O GLY A 73 9.390 -3.480 -16.820 1.00 0.00 O ATOM 0 H GLY A 73 7.843 -1.630 -15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.642 -3.211 -13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.980 -3.595 -14.088 1.00 0.00 H new ATOM 685 N GLU A 74 9.620 -5.250 -15.450 1.00 0.00 N ATOM 686 CA GLU A 74 10.000 -6.180 -16.540 1.00 0.00 C ATOM 687 C GLU A 74 8.790 -6.580 -17.400 1.00 0.00 C ATOM 688 O GLU A 74 8.920 -7.220 -18.440 1.00 0.00 O ATOM 689 CB GLU A 74 10.640 -7.430 -15.950 1.00 0.00 C ATOM 690 CG GLU A 74 11.460 -8.270 -16.930 1.00 0.00 C ATOM 691 CD GLU A 74 12.950 -8.160 -16.590 1.00 0.00 C ATOM 692 OE1 GLU A 74 13.580 -7.220 -17.110 1.00 0.00 O ATOM 693 OE2 GLU A 74 13.410 -9.010 -15.790 1.00 0.00 O ATOM 0 H GLU A 74 9.562 -5.680 -14.527 1.00 0.00 H new ATOM 0 HA GLU A 74 10.712 -5.662 -17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.286 -7.132 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.854 -8.057 -15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.143 -9.312 -16.883 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.285 -7.929 -17.950 1.00 0.00 H new ATOM 695 N ALA A 75 7.610 -6.250 -16.890 1.00 0.00 N ATOM 696 CA ALA A 75 6.350 -6.460 -17.600 1.00 0.00 C ATOM 697 C ALA A 75 5.720 -5.090 -17.830 1.00 0.00 C ATOM 698 O ALA A 75 5.680 -4.230 -16.940 1.00 0.00 O ATOM 699 CB ALA A 75 5.440 -7.360 -16.760 1.00 0.00 C ATOM 0 H ALA A 75 7.497 -5.827 -15.969 1.00 0.00 H new ATOM 0 HA ALA A 75 6.508 -6.953 -18.559 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.499 -7.519 -17.287 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.930 -8.320 -16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.243 -6.883 -15.800 1.00 0.00 H new ATOM 701 N THR A 76 5.340 -4.870 -19.090 1.00 0.00 N ATOM 702 CA THR A 76 4.610 -3.660 -19.500 1.00 0.00 C ATOM 703 C THR A 76 3.370 -3.540 -18.600 1.00 0.00 C ATOM 704 O THR A 76 2.880 -4.540 -18.090 1.00 0.00 O ATOM 705 CB THR A 76 4.280 -3.730 -21.000 1.00 0.00 C ATOM 706 OG1 THR A 76 5.520 -3.550 -21.690 1.00 0.00 O ATOM 707 CG2 THR A 76 3.260 -2.700 -21.520 1.00 0.00 C ATOM 0 H THR A 76 5.526 -5.519 -19.854 1.00 0.00 H new ATOM 0 HA THR A 76 5.210 -2.759 -19.373 1.00 0.00 H new ATOM 0 HB THR A 76 3.800 -4.692 -21.178 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.365 -3.588 -22.657 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.108 -2.847 -22.589 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.312 -2.831 -20.997 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.637 -1.693 -21.342 1.00 0.00 H new ATOM 710 N GLN A 77 2.960 -2.280 -18.410 1.00 0.00 N ATOM 711 CA GLN A 77 1.770 -1.860 -17.620 1.00 0.00 C ATOM 712 C GLN A 77 2.120 -1.770 -16.120 1.00 0.00 C ATOM 713 O GLN A 77 1.300 -1.970 -15.230 1.00 0.00 O ATOM 714 CB GLN A 77 0.530 -2.760 -17.810 1.00 0.00 C ATOM 715 CG GLN A 77 0.360 -3.270 -19.250 1.00 0.00 C ATOM 716 CD GLN A 77 -1.030 -3.050 -19.810 1.00 0.00 C ATOM 717 OE1 GLN A 77 -1.730 -3.940 -20.250 1.00 0.00 O ATOM 718 NE2 GLN A 77 -1.370 -1.790 -19.880 1.00 0.00 N ATOM 0 H GLN A 77 3.459 -1.487 -18.813 1.00 0.00 H new ATOM 0 HA GLN A 77 1.499 -0.878 -18.008 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.603 -3.614 -17.136 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.362 -2.203 -17.522 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.085 -2.769 -19.892 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.590 -4.335 -19.279 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.753 -1.073 -19.498 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.252 -1.523 -20.317 1.00 0.00 H new ATOM 722 N GLU A 78 3.380 -1.400 -15.870 1.00 0.00 N ATOM 723 CA GLU A 78 3.950 -1.250 -14.510 1.00 0.00 C ATOM 724 C GLU A 78 4.990 -0.120 -14.430 1.00 0.00 C ATOM 725 O GLU A 78 6.120 -0.280 -13.990 1.00 0.00 O ATOM 726 CB GLU A 78 4.530 -2.570 -14.000 1.00 0.00 C ATOM 727 CG GLU A 78 3.480 -3.370 -13.230 1.00 0.00 C ATOM 728 CD GLU A 78 4.120 -4.060 -12.030 1.00 0.00 C ATOM 729 OE1 GLU A 78 4.810 -5.080 -12.250 1.00 0.00 O ATOM 730 OE2 GLU A 78 3.900 -3.540 -10.910 1.00 0.00 O ATOM 0 H GLU A 78 4.049 -1.191 -16.611 1.00 0.00 H new ATOM 0 HA GLU A 78 3.125 -0.968 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.896 -3.159 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.385 -2.370 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.681 -2.708 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.025 -4.112 -13.886 1.00 0.00 H new ATOM 732 N ASP A 79 4.550 1.040 -14.890 1.00 0.00 N ATOM 733 CA ASP A 79 5.360 2.270 -14.930 1.00 0.00 C ATOM 734 C ASP A 79 4.870 3.240 -13.860 1.00 0.00 C ATOM 735 O ASP A 79 3.830 3.840 -14.040 1.00 0.00 O ATOM 736 CB ASP A 79 5.350 2.950 -16.310 1.00 0.00 C ATOM 737 CG ASP A 79 4.180 2.620 -17.250 1.00 0.00 C ATOM 738 OD1 ASP A 79 3.060 2.380 -16.750 1.00 0.00 O ATOM 739 OD2 ASP A 79 4.460 2.480 -18.450 1.00 0.00 O ATOM 0 H ASP A 79 3.606 1.167 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 79 6.393 1.984 -14.732 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.364 4.029 -16.155 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.277 2.690 -16.821 1.00 0.00 H new ATOM 741 N TYR A 80 5.470 3.130 -12.690 1.00 0.00 N ATOM 742 CA TYR A 80 5.210 4.020 -11.530 1.00 0.00 C ATOM 743 C TYR A 80 5.530 5.470 -11.910 1.00 0.00 C ATOM 744 O TYR A 80 6.130 5.750 -12.950 1.00 0.00 O ATOM 745 CB TYR A 80 6.070 3.570 -10.340 1.00 0.00 C ATOM 746 CG TYR A 80 5.870 2.100 -9.990 1.00 0.00 C ATOM 747 CD1 TYR A 80 4.870 1.750 -9.060 1.00 0.00 C ATOM 748 CD2 TYR A 80 6.700 1.120 -10.580 1.00 0.00 C ATOM 749 CE1 TYR A 80 4.710 0.390 -8.730 1.00 0.00 C ATOM 750 CE2 TYR A 80 6.540 -0.240 -10.250 1.00 0.00 C ATOM 751 CZ TYR A 80 5.540 -0.590 -9.320 1.00 0.00 C ATOM 752 OH TYR A 80 5.410 -1.880 -8.920 1.00 0.00 O ATOM 0 H TYR A 80 6.168 2.412 -12.496 1.00 0.00 H new ATOM 0 HA TYR A 80 4.159 3.960 -11.247 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.121 3.744 -10.571 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.829 4.182 -9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.242 2.506 -8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.461 1.415 -11.287 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.949 0.095 -8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.168 -0.996 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 80 4.912 -2.384 -9.597 1.00 0.00 H new ATOM 755 N TYR A 81 5.260 6.360 -10.960 1.00 0.00 N ATOM 756 CA TYR A 81 5.460 7.800 -11.130 1.00 0.00 C ATOM 757 C TYR A 81 5.420 8.470 -9.770 1.00 0.00 C ATOM 758 O TYR A 81 4.360 8.830 -9.250 1.00 0.00 O ATOM 759 CB TYR A 81 4.350 8.380 -12.000 1.00 0.00 C ATOM 760 CG TYR A 81 4.700 9.750 -12.580 1.00 0.00 C ATOM 761 CD1 TYR A 81 4.730 10.890 -11.760 1.00 0.00 C ATOM 762 CD2 TYR A 81 4.900 9.820 -13.970 1.00 0.00 C ATOM 763 CE1 TYR A 81 4.970 12.140 -12.340 1.00 0.00 C ATOM 764 CE2 TYR A 81 5.150 11.070 -14.560 1.00 0.00 C ATOM 765 CZ TYR A 81 5.170 12.220 -13.740 1.00 0.00 C ATOM 766 OH TYR A 81 5.240 13.440 -14.320 1.00 0.00 O ATOM 0 H TYR A 81 4.894 6.103 -10.043 1.00 0.00 H new ATOM 0 HA TYR A 81 6.424 7.975 -11.608 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.137 7.690 -12.816 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.439 8.464 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.570 10.803 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.862 8.926 -14.575 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.002 13.030 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.324 11.150 -15.623 1.00 0.00 H new ATOM 0 HH TYR A 81 4.901 14.118 -13.698 1.00 0.00 H new ATOM 769 N THR A 82 6.590 8.550 -9.170 1.00 0.00 N ATOM 770 CA THR A 82 6.770 9.300 -7.920 1.00 0.00 C ATOM 771 C THR A 82 6.150 10.700 -7.980 1.00 0.00 C ATOM 772 O THR A 82 5.060 10.950 -7.480 1.00 0.00 O ATOM 773 CB THR A 82 8.220 9.290 -7.370 1.00 0.00 C ATOM 774 OG1 THR A 82 8.500 10.450 -6.590 1.00 0.00 O ATOM 775 CG2 THR A 82 9.310 8.980 -8.370 1.00 0.00 C ATOM 0 H THR A 82 7.440 8.107 -9.520 1.00 0.00 H new ATOM 0 HA THR A 82 6.201 8.747 -7.173 1.00 0.00 H new ATOM 0 HB THR A 82 8.244 8.424 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.948 10.440 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.279 9.002 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.143 7.990 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.296 9.724 -9.166 1.00 0.00 H new ATOM 778 N GLY A 83 6.840 11.560 -8.710 1.00 0.00 N ATOM 779 CA GLY A 83 6.460 12.980 -8.820 1.00 0.00 C ATOM 780 C GLY A 83 6.910 13.800 -7.590 1.00 0.00 C ATOM 781 O GLY A 83 6.840 15.030 -7.630 1.00 0.00 O ATOM 0 H GLY A 83 7.673 11.309 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.904 13.405 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.378 13.058 -8.931 1.00 0.00 H new ATOM 783 N ASP A 84 7.380 13.120 -6.550 1.00 0.00 N ATOM 784 CA ASP A 84 7.940 13.760 -5.350 1.00 0.00 C ATOM 785 C ASP A 84 9.390 13.310 -5.060 1.00 0.00 C ATOM 786 O ASP A 84 9.940 13.630 -4.020 1.00 0.00 O ATOM 787 CB ASP A 84 7.040 13.480 -4.130 1.00 0.00 C ATOM 788 CG ASP A 84 7.330 14.400 -2.930 1.00 0.00 C ATOM 789 OD1 ASP A 84 8.270 14.130 -2.150 1.00 0.00 O ATOM 790 OD2 ASP A 84 6.540 15.350 -2.770 1.00 0.00 O ATOM 0 H ASP A 84 7.386 12.101 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 84 7.971 14.832 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.997 13.597 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.171 12.442 -3.822 1.00 0.00 H new ATOM 792 N HIS A 85 10.050 12.710 -6.060 1.00 0.00 N ATOM 793 CA HIS A 85 11.440 12.210 -6.000 1.00 0.00 C ATOM 794 C HIS A 85 11.570 11.040 -5.040 1.00 0.00 C ATOM 795 O HIS A 85 11.740 11.220 -3.840 1.00 0.00 O ATOM 796 CB HIS A 85 12.410 13.320 -5.600 1.00 0.00 C ATOM 797 CG HIS A 85 13.860 12.920 -5.740 1.00 0.00 C ATOM 798 ND1 HIS A 85 14.630 12.530 -4.740 1.00 0.00 N ATOM 799 CD2 HIS A 85 14.580 12.980 -6.850 1.00 0.00 C ATOM 800 CE1 HIS A 85 15.850 12.340 -5.220 1.00 0.00 C ATOM 801 NE2 HIS A 85 15.810 12.620 -6.520 1.00 0.00 N ATOM 0 H HIS A 85 9.618 12.551 -6.970 1.00 0.00 H new ATOM 0 HA HIS A 85 11.698 11.864 -7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.221 14.199 -6.216 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.217 13.608 -4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.232 13.266 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.716 12.018 -4.660 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.602 12.566 -7.161 1.00 0.00 H new ATOM 805 N TYR A 86 11.320 9.860 -5.610 1.00 0.00 N ATOM 806 CA TYR A 86 11.360 8.600 -4.840 1.00 0.00 C ATOM 807 C TYR A 86 10.560 8.660 -3.520 1.00 0.00 C ATOM 808 O TYR A 86 10.900 8.070 -2.500 1.00 0.00 O ATOM 809 CB TYR A 86 12.830 8.270 -4.560 1.00 0.00 C ATOM 810 CG TYR A 86 13.530 7.590 -5.730 1.00 0.00 C ATOM 811 CD1 TYR A 86 13.480 8.130 -7.040 1.00 0.00 C ATOM 812 CD2 TYR A 86 14.240 6.420 -5.420 1.00 0.00 C ATOM 813 CE1 TYR A 86 14.140 7.440 -8.070 1.00 0.00 C ATOM 814 CE2 TYR A 86 14.930 5.760 -6.450 1.00 0.00 C ATOM 815 CZ TYR A 86 14.840 6.260 -7.770 1.00 0.00 C ATOM 816 OH TYR A 86 15.190 5.410 -8.760 1.00 0.00 O ATOM 0 H TYR A 86 11.088 9.743 -6.596 1.00 0.00 H new ATOM 0 HA TYR A 86 10.883 7.821 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.361 9.190 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.889 7.623 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.948 9.048 -7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.256 6.035 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.110 7.813 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.522 4.882 -6.237 1.00 0.00 H new ATOM 0 HH TYR A 86 15.203 4.493 -8.414 1.00 0.00 H new ATOM 819 N ALA A 87 9.530 9.490 -3.510 1.00 0.00 N ATOM 820 CA ALA A 87 8.790 9.710 -2.270 1.00 0.00 C ATOM 821 C ALA A 87 7.410 9.060 -2.310 1.00 0.00 C ATOM 822 O ALA A 87 6.830 8.720 -1.280 1.00 0.00 O ATOM 823 CB ALA A 87 8.690 11.210 -2.000 1.00 0.00 C ATOM 0 H ALA A 87 9.191 10.011 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 87 9.332 9.235 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.138 11.377 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.691 11.630 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.169 11.694 -2.826 1.00 0.00 H new ATOM 825 N THR A 88 6.930 8.880 -3.520 1.00 0.00 N ATOM 826 CA THR A 88 5.610 8.300 -3.820 1.00 0.00 C ATOM 827 C THR A 88 5.770 7.460 -5.090 1.00 0.00 C ATOM 828 O THR A 88 6.860 7.400 -5.640 1.00 0.00 O ATOM 829 CB THR A 88 4.620 9.430 -4.040 1.00 0.00 C ATOM 830 OG1 THR A 88 5.240 10.400 -4.890 1.00 0.00 O ATOM 831 CG2 THR A 88 4.200 10.090 -2.720 1.00 0.00 C ATOM 0 H THR A 88 7.452 9.136 -4.358 1.00 0.00 H new ATOM 0 HA THR A 88 5.241 7.677 -3.005 1.00 0.00 H new ATOM 0 HB THR A 88 3.717 9.025 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.902 10.298 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.491 10.893 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.731 9.347 -2.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.079 10.500 -2.222 1.00 0.00 H new ATOM 834 N PHE A 89 4.730 6.720 -5.460 1.00 0.00 N ATOM 835 CA PHE A 89 4.750 5.780 -6.600 1.00 0.00 C ATOM 836 C PHE A 89 3.300 5.460 -6.950 1.00 0.00 C ATOM 837 O PHE A 89 2.510 5.100 -6.070 1.00 0.00 O ATOM 838 CB PHE A 89 5.470 4.480 -6.260 1.00 0.00 C ATOM 839 CG PHE A 89 6.970 4.690 -6.000 1.00 0.00 C ATOM 840 CD1 PHE A 89 7.860 4.800 -7.100 1.00 0.00 C ATOM 841 CD2 PHE A 89 7.430 4.860 -4.670 1.00 0.00 C ATOM 842 CE1 PHE A 89 9.220 5.070 -6.860 1.00 0.00 C ATOM 843 CE2 PHE A 89 8.800 5.160 -4.440 1.00 0.00 C ATOM 844 CZ PHE A 89 9.680 5.250 -5.540 1.00 0.00 C ATOM 0 H PHE A 89 3.832 6.749 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 89 5.284 6.243 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.010 4.034 -5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.342 3.772 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.498 4.678 -8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.746 4.763 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.911 5.139 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.164 5.317 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.725 5.461 -5.367 1.00 0.00 H new ATOM 846 N SER A 90 2.960 5.770 -8.190 1.00 0.00 N ATOM 847 CA SER A 90 1.610 5.550 -8.710 1.00 0.00 C ATOM 848 C SER A 90 1.720 5.030 -10.140 1.00 0.00 C ATOM 849 O SER A 90 2.250 5.740 -10.990 1.00 0.00 O ATOM 850 CB SER A 90 0.770 6.820 -8.730 1.00 0.00 C ATOM 851 OG SER A 90 1.100 7.660 -7.610 1.00 0.00 O ATOM 0 H SER A 90 3.605 6.180 -8.866 1.00 0.00 H new ATOM 0 HA SER A 90 1.118 4.836 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.941 7.361 -9.661 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.289 6.563 -8.700 1.00 0.00 H new ATOM 0 HG SER A 90 0.553 8.473 -7.638 1.00 0.00 H new ATOM 854 N LEU A 91 1.420 3.740 -10.320 1.00 0.00 N ATOM 855 CA LEU A 91 1.440 3.080 -11.640 1.00 0.00 C ATOM 856 C LEU A 91 0.780 3.950 -12.720 1.00 0.00 C ATOM 857 O LEU A 91 0.050 4.880 -12.410 1.00 0.00 O ATOM 858 CB LEU A 91 0.730 1.720 -11.570 1.00 0.00 C ATOM 859 CG LEU A 91 1.480 0.660 -10.760 1.00 0.00 C ATOM 860 CD1 LEU A 91 0.610 -0.580 -10.580 1.00 0.00 C ATOM 861 CD2 LEU A 91 2.760 0.270 -11.500 1.00 0.00 C ATOM 0 H LEU A 91 1.155 3.118 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 91 2.485 2.932 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.259 1.861 -11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.581 1.348 -12.584 1.00 0.00 H new ATOM 0 HG LEU A 91 1.724 1.071 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.155 -1.326 -10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.304 -0.309 -10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.357 -0.992 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.297 -0.485 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.505 -0.133 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.392 1.150 -11.623 1.00 0.00 H new ATOM 863 N ILE A 92 0.990 3.660 -13.990 1.00 0.00 N ATOM 864 CA ILE A 92 0.380 4.450 -15.080 1.00 0.00 C ATOM 865 C ILE A 92 -0.670 3.610 -15.790 1.00 0.00 C ATOM 866 O ILE A 92 -0.430 2.460 -16.150 1.00 0.00 O ATOM 867 CB ILE A 92 1.480 5.010 -15.990 1.00 0.00 C ATOM 868 CG1 ILE A 92 1.990 6.370 -15.520 1.00 0.00 C ATOM 869 CG2 ILE A 92 1.070 5.200 -17.460 1.00 0.00 C ATOM 870 CD1 ILE A 92 2.650 6.440 -14.150 1.00 0.00 C ATOM 0 H ILE A 92 1.575 2.887 -14.307 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.150 5.320 -14.691 1.00 0.00 H new ATOM 0 HB ILE A 92 2.250 4.241 -15.925 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.706 6.733 -16.257 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.149 7.064 -15.524 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.913 5.600 -18.024 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.774 4.240 -17.882 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.233 5.895 -17.517 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.962 7.465 -13.949 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.940 6.121 -13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.521 5.785 -14.132 1.00 0.00 H new ATOM 872 N ASP A 93 -1.800 4.250 -16.040 1.00 0.00 N ATOM 873 CA ASP A 93 -2.890 3.600 -16.780 1.00 0.00 C ATOM 874 C ASP A 93 -3.030 4.270 -18.140 1.00 0.00 C ATOM 875 O ASP A 93 -3.640 5.330 -18.240 1.00 0.00 O ATOM 876 CB ASP A 93 -4.200 3.700 -15.980 1.00 0.00 C ATOM 877 CG ASP A 93 -4.850 2.330 -15.780 1.00 0.00 C ATOM 878 OD1 ASP A 93 -4.480 1.380 -16.510 1.00 0.00 O ATOM 879 OD2 ASP A 93 -5.760 2.270 -14.920 1.00 0.00 O ATOM 0 H ASP A 93 -1.994 5.208 -15.749 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.665 2.543 -16.926 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.999 4.152 -15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.894 4.359 -16.501 1.00 0.00 H new ATOM 881 N GLN A 94 -2.480 3.640 -19.170 1.00 0.00 N ATOM 882 CA GLN A 94 -2.540 4.200 -20.540 1.00 0.00 C ATOM 883 C GLN A 94 -3.990 4.320 -21.040 1.00 0.00 C ATOM 884 O GLN A 94 -4.400 5.360 -21.540 1.00 0.00 O ATOM 885 CB GLN A 94 -1.730 3.400 -21.560 1.00 0.00 C ATOM 886 CG GLN A 94 -0.350 2.980 -21.060 1.00 0.00 C ATOM 887 CD GLN A 94 -0.280 1.470 -20.840 1.00 0.00 C ATOM 888 OE1 GLN A 94 -1.280 0.770 -20.850 1.00 0.00 O ATOM 889 NE2 GLN A 94 0.890 0.970 -20.510 1.00 0.00 N ATOM 0 H GLN A 94 -1.989 2.749 -19.098 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.092 5.191 -20.459 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.292 2.508 -21.837 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.612 3.997 -22.465 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.409 3.281 -21.782 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.125 3.497 -20.127 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.717 1.567 -20.506 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.971 -0.015 -20.258 1.00 0.00 H new ATOM 893 N THR A 95 -4.780 3.300 -20.690 1.00 0.00 N ATOM 894 CA THR A 95 -6.240 3.230 -20.930 1.00 0.00 C ATOM 895 C THR A 95 -7.000 4.440 -20.350 1.00 0.00 C ATOM 896 O THR A 95 -7.820 5.060 -21.020 1.00 0.00 O ATOM 897 CB THR A 95 -6.860 1.910 -20.410 1.00 0.00 C ATOM 898 OG1 THR A 95 -8.280 2.040 -20.390 1.00 0.00 O ATOM 899 CG2 THR A 95 -6.360 1.470 -19.020 1.00 0.00 C ATOM 0 H THR A 95 -4.418 2.472 -20.217 1.00 0.00 H new ATOM 0 HA THR A 95 -6.355 3.256 -22.014 1.00 0.00 H new ATOM 0 HB THR A 95 -6.538 1.129 -21.099 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.680 1.207 -20.063 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.847 0.537 -18.737 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.281 1.321 -19.052 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.598 2.241 -18.287 1.00 0.00 H new ATOM 902 N CYS A 96 -6.660 4.790 -19.120 1.00 0.00 N ATOM 903 CA CYS A 96 -7.300 5.930 -18.450 1.00 0.00 C ATOM 904 C CYS A 96 -6.500 7.200 -18.770 1.00 0.00 C ATOM 905 O CYS A 96 -7.030 8.160 -19.370 1.00 0.00 O ATOM 906 CB CYS A 96 -7.380 5.640 -16.950 1.00 0.00 C ATOM 907 SG CYS A 96 -8.390 6.880 -16.070 1.00 0.00 S ATOM 908 OXT CYS A 96 -5.310 7.190 -18.430 1.00 0.00 O ATOM 0 H CYS A 96 -5.952 4.312 -18.563 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.319 6.085 -18.806 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.805 4.649 -16.794 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.375 5.625 -16.529 1.00 0.00 H new TER 910 CYS A 96