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 52 TYR OH : rot -113:sc= 0.0142 USER MOD Set 1.2: A 80 TYR OH : rot 99:sc= 0.584 USER MOD Set 2.1: A 32 GLN : amide:sc= -4.23 K(o=-5.9,f=-14!) USER MOD Set 2.2: A 56 THR OG1 : rot 138:sc= -1.69 USER MOD Single : A 1 ASP N :NH3+ -142:sc= -3.66! (180deg=-4.75!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 18 THR OG1 : rot -100:sc= -3.55! USER MOD Single : A 20 ASN : amide:sc=-0.00932 X(o=-0.0093,f=-0.19) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -0.665 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.23) USER MOD Single : A 39 ASN : amide:sc= -5.1! C(o=-5.1!,f=-8.8!) USER MOD Single : A 42 SER OG : rot -48:sc= 0.303 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.028) USER MOD Single : A 48 SER OG : rot 109:sc= 1.36 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= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 100:sc= -0.29 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 67 THR OG1 : rot 120:sc= 0.494 USER MOD Single : A 72 THR OG1 : rot -152:sc= 1.01 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.073 K(o=-0.073,f=-1.4!) USER MOD Single : A 81 TYR OH : rot -30:sc= -1.49 USER MOD Single : A 82 THR OG1 : rot 97:sc= 0.147 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -39:sc= 2.17 USER MOD Single : A 88 THR OG1 : rot 104:sc= 0.763 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.250 0.010 0.000 1.00 0.00 N ATOM 2 CA ASP A 1 2.040 0.070 -1.240 1.00 0.00 C ATOM 3 C ASP A 1 3.330 0.890 -1.060 1.00 0.00 C ATOM 4 O ASP A 1 3.450 1.730 -0.170 1.00 0.00 O ATOM 5 CB ASP A 1 1.200 0.600 -2.400 1.00 0.00 C ATOM 6 CG ASP A 1 0.270 1.740 -1.980 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.790 2.790 -1.540 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.960 1.510 -2.060 1.00 0.00 O ATOM 0 H1 ASP A 1 0.828 -0.935 0.097 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.868 0.199 0.815 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.495 0.724 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 1 2.342 -0.949 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.861 0.949 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.606 -0.214 -2.815 1.00 0.00 H new ATOM 12 N VAL A 2 4.290 0.560 -1.900 1.00 0.00 N ATOM 13 CA VAL A 2 5.600 1.220 -1.870 1.00 0.00 C ATOM 14 C VAL A 2 5.420 2.620 -2.470 1.00 0.00 C ATOM 15 O VAL A 2 5.070 2.750 -3.640 1.00 0.00 O ATOM 16 CB VAL A 2 6.670 0.420 -2.640 1.00 0.00 C ATOM 17 CG1 VAL A 2 8.050 0.780 -2.120 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.510 -1.090 -2.470 1.00 0.00 C ATOM 0 H VAL A 2 4.197 -0.161 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 2 5.957 1.283 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 2 6.548 0.676 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.804 0.213 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.225 1.847 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.113 0.539 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.289 -1.604 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.595 -1.348 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.532 -1.396 -2.841 1.00 0.00 H new ATOM 20 N SER A 3 5.650 3.630 -1.630 1.00 0.00 N ATOM 21 CA SER A 3 5.540 5.040 -2.060 1.00 0.00 C ATOM 22 C SER A 3 6.770 5.500 -2.870 1.00 0.00 C ATOM 23 O SER A 3 6.930 6.670 -3.220 1.00 0.00 O ATOM 24 CB SER A 3 5.330 5.940 -0.840 1.00 0.00 C ATOM 25 OG SER A 3 4.430 7.000 -1.180 1.00 0.00 O ATOM 0 H SER A 3 5.913 3.508 -0.652 1.00 0.00 H new ATOM 0 HA SER A 3 4.677 5.120 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.928 5.359 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.284 6.350 -0.509 1.00 0.00 H new ATOM 0 HG SER A 3 4.293 7.576 -0.399 1.00 0.00 H new ATOM 28 N GLY A 4 7.620 4.530 -3.180 1.00 0.00 N ATOM 29 CA GLY A 4 8.860 4.710 -3.940 1.00 0.00 C ATOM 30 C GLY A 4 10.040 4.070 -3.200 1.00 0.00 C ATOM 31 O GLY A 4 9.880 3.280 -2.270 1.00 0.00 O ATOM 0 H GLY A 4 7.464 3.561 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.756 4.262 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.050 5.773 -4.090 1.00 0.00 H new ATOM 33 N THR A 5 11.210 4.430 -3.680 1.00 0.00 N ATOM 34 CA THR A 5 12.480 3.890 -3.160 1.00 0.00 C ATOM 35 C THR A 5 13.120 4.930 -2.230 1.00 0.00 C ATOM 36 O THR A 5 12.610 6.040 -2.040 1.00 0.00 O ATOM 37 CB THR A 5 13.370 3.540 -4.370 1.00 0.00 C ATOM 38 OG1 THR A 5 12.540 2.940 -5.380 1.00 0.00 O ATOM 39 CG2 THR A 5 14.440 2.500 -4.050 1.00 0.00 C ATOM 0 H THR A 5 11.325 5.102 -4.439 1.00 0.00 H new ATOM 0 HA THR A 5 12.333 2.985 -2.571 1.00 0.00 H new ATOM 0 HB THR A 5 13.852 4.467 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.088 2.711 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.031 2.299 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.091 2.878 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.963 1.579 -3.716 1.00 0.00 H new ATOM 42 N VAL A 6 14.190 4.520 -1.580 1.00 0.00 N ATOM 43 CA VAL A 6 14.890 5.320 -0.570 1.00 0.00 C ATOM 44 C VAL A 6 16.390 5.070 -0.730 1.00 0.00 C ATOM 45 O VAL A 6 16.880 3.930 -0.680 1.00 0.00 O ATOM 46 CB VAL A 6 14.290 5.040 0.820 1.00 0.00 C ATOM 47 CG1 VAL A 6 14.920 3.880 1.590 1.00 0.00 C ATOM 48 CG2 VAL A 6 14.320 6.300 1.670 1.00 0.00 C ATOM 0 H VAL A 6 14.613 3.605 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 6 14.753 6.393 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 6 13.265 4.726 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.423 3.770 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.808 2.959 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.979 4.082 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.893 6.088 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.351 6.635 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.738 7.082 1.182 1.00 0.00 H new ATOM 50 N CYS A 7 17.030 6.100 -1.250 1.00 0.00 N ATOM 51 CA CYS A 7 18.490 6.070 -1.440 1.00 0.00 C ATOM 52 C CYS A 7 19.160 5.560 -0.170 1.00 0.00 C ATOM 53 O CYS A 7 18.740 5.890 0.940 1.00 0.00 O ATOM 54 CB CYS A 7 19.000 7.480 -1.760 1.00 0.00 C ATOM 55 SG CYS A 7 18.380 8.030 -3.390 1.00 0.00 S ATOM 0 H CYS A 7 16.579 6.965 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 7 18.731 5.404 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 7 18.674 8.175 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.090 7.488 -1.757 1.00 0.00 H new ATOM 57 N LEU A 8 20.080 4.620 -0.340 1.00 0.00 N ATOM 58 CA LEU A 8 20.760 4.030 0.820 1.00 0.00 C ATOM 59 C LEU A 8 21.430 5.100 1.700 1.00 0.00 C ATOM 60 O LEU A 8 21.310 5.050 2.920 1.00 0.00 O ATOM 61 CB LEU A 8 21.800 3.010 0.390 1.00 0.00 C ATOM 62 CG LEU A 8 21.850 1.740 1.250 1.00 0.00 C ATOM 63 CD1 LEU A 8 23.310 1.340 1.300 1.00 0.00 C ATOM 64 CD2 LEU A 8 21.280 1.830 2.680 1.00 0.00 C ATOM 0 H LEU A 8 20.372 4.252 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 8 19.990 3.531 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.603 2.725 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.782 3.483 0.408 1.00 0.00 H new ATOM 0 HG LEU A 8 21.191 1.010 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.419 0.437 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.670 1.150 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.893 2.145 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.380 0.863 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.830 2.583 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.227 2.108 2.635 1.00 0.00 H new ATOM 66 N SER A 9 21.910 6.150 1.040 1.00 0.00 N ATOM 67 CA SER A 9 22.460 7.360 1.700 1.00 0.00 C ATOM 68 C SER A 9 21.400 8.130 2.500 1.00 0.00 C ATOM 69 O SER A 9 21.700 8.780 3.510 1.00 0.00 O ATOM 70 CB SER A 9 23.090 8.270 0.650 1.00 0.00 C ATOM 71 OG SER A 9 23.590 9.460 1.270 1.00 0.00 O ATOM 0 H SER A 9 21.934 6.199 0.021 1.00 0.00 H new ATOM 0 HA SER A 9 23.216 7.030 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.900 7.747 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.352 8.528 -0.109 1.00 0.00 H new ATOM 0 HG SER A 9 23.994 10.038 0.590 1.00 0.00 H new ATOM 74 N ALA A 10 20.150 8.030 2.060 1.00 0.00 N ATOM 75 CA ALA A 10 18.990 8.630 2.750 1.00 0.00 C ATOM 76 C ALA A 10 18.620 7.830 4.020 1.00 0.00 C ATOM 77 O ALA A 10 18.120 8.390 4.990 1.00 0.00 O ATOM 78 CB ALA A 10 17.790 8.690 1.800 1.00 0.00 C ATOM 0 H ALA A 10 19.901 7.528 1.208 1.00 0.00 H new ATOM 0 HA ALA A 10 19.261 9.641 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.939 9.134 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.044 9.297 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.532 7.682 1.475 1.00 0.00 H new ATOM 80 N LEU A 11 18.860 6.530 3.970 1.00 0.00 N ATOM 81 CA LEU A 11 18.660 5.650 5.130 1.00 0.00 C ATOM 82 C LEU A 11 19.740 5.790 6.210 1.00 0.00 C ATOM 83 O LEU A 11 20.780 6.390 5.950 1.00 0.00 O ATOM 84 CB LEU A 11 18.570 4.200 4.650 1.00 0.00 C ATOM 85 CG LEU A 11 17.140 3.840 4.280 1.00 0.00 C ATOM 86 CD1 LEU A 11 17.230 2.380 3.900 1.00 0.00 C ATOM 87 CD2 LEU A 11 16.100 3.970 5.400 1.00 0.00 C ATOM 0 H LEU A 11 19.196 6.049 3.136 1.00 0.00 H new ATOM 0 HA LEU A 11 17.728 5.957 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.220 4.057 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.927 3.531 5.433 1.00 0.00 H new ATOM 0 HG LEU A 11 16.796 4.529 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.243 2.017 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.917 2.264 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.595 1.805 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.118 3.687 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.372 3.314 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.070 5.002 5.751 1.00 0.00 H new ATOM 89 N PRO A 12 19.470 5.320 7.440 1.00 0.00 N ATOM 90 CA PRO A 12 20.430 5.410 8.550 1.00 0.00 C ATOM 91 C PRO A 12 21.650 4.500 8.330 1.00 0.00 C ATOM 92 O PRO A 12 21.610 3.580 7.500 1.00 0.00 O ATOM 93 CB PRO A 12 19.590 5.080 9.800 1.00 0.00 C ATOM 94 CG PRO A 12 18.450 4.200 9.330 1.00 0.00 C ATOM 95 CD PRO A 12 18.190 4.750 7.930 1.00 0.00 C ATOM 0 HA PRO A 12 20.889 6.394 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.193 4.567 10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.212 5.990 10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.728 3.146 9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.574 4.287 9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.840 3.960 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.413 5.514 7.954 1.00 0.00 H new ATOM 96 N PRO A 13 22.720 4.670 9.130 1.00 0.00 N ATOM 97 CA PRO A 13 23.920 3.820 9.050 1.00 0.00 C ATOM 98 C PRO A 13 23.670 2.390 9.570 1.00 0.00 C ATOM 99 O PRO A 13 24.350 1.440 9.190 1.00 0.00 O ATOM 100 CB PRO A 13 24.980 4.550 9.870 1.00 0.00 C ATOM 101 CG PRO A 13 24.210 5.390 10.880 1.00 0.00 C ATOM 102 CD PRO A 13 22.860 5.670 10.220 1.00 0.00 C ATOM 0 HA PRO A 13 24.234 3.677 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.643 3.844 10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.605 5.177 9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.085 4.857 11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.738 6.317 11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 13 22.047 5.578 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 13 22.822 6.685 9.825 1.00 0.00 H new ATOM 103 N GLU A 14 22.570 2.230 10.300 1.00 0.00 N ATOM 104 CA GLU A 14 22.160 0.930 10.860 1.00 0.00 C ATOM 105 C GLU A 14 21.180 0.180 9.940 1.00 0.00 C ATOM 106 O GLU A 14 20.900 -1.000 10.140 1.00 0.00 O ATOM 107 CB GLU A 14 21.540 1.120 12.250 1.00 0.00 C ATOM 108 CG GLU A 14 22.150 2.260 13.060 1.00 0.00 C ATOM 109 CD GLU A 14 22.410 1.880 14.510 1.00 0.00 C ATOM 110 OE1 GLU A 14 21.600 1.140 15.100 1.00 0.00 O ATOM 111 OE2 GLU A 14 23.370 2.460 15.060 1.00 0.00 O ATOM 0 H GLU A 14 21.932 2.994 10.525 1.00 0.00 H new ATOM 0 HA GLU A 14 23.059 0.319 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.471 1.302 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.647 0.193 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.087 2.568 12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.481 3.120 13.029 1.00 0.00 H new ATOM 113 N ALA A 15 20.830 0.840 8.840 1.00 0.00 N ATOM 114 CA ALA A 15 19.990 0.280 7.770 1.00 0.00 C ATOM 115 C ALA A 15 20.810 -0.520 6.770 1.00 0.00 C ATOM 116 O ALA A 15 20.460 -1.660 6.440 1.00 0.00 O ATOM 117 CB ALA A 15 19.240 1.390 7.030 1.00 0.00 C ATOM 0 H ALA A 15 21.125 1.799 8.658 1.00 0.00 H new ATOM 0 HA ALA A 15 19.274 -0.389 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.626 0.952 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.602 1.928 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.957 2.081 6.588 1.00 0.00 H new ATOM 119 N THR A 16 22.000 0.010 6.470 1.00 0.00 N ATOM 120 CA THR A 16 22.980 -0.680 5.600 1.00 0.00 C ATOM 121 C THR A 16 23.420 -2.030 6.180 1.00 0.00 C ATOM 122 O THR A 16 23.780 -2.940 5.440 1.00 0.00 O ATOM 123 CB THR A 16 24.170 0.250 5.270 1.00 0.00 C ATOM 124 OG1 THR A 16 24.260 0.200 3.850 1.00 0.00 O ATOM 125 CG2 THR A 16 25.550 -0.110 5.850 1.00 0.00 C ATOM 0 H THR A 16 22.316 0.917 6.814 1.00 0.00 H new ATOM 0 HA THR A 16 22.485 -0.915 4.658 1.00 0.00 H new ATOM 0 HB THR A 16 23.959 1.219 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.998 0.770 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 16 26.283 0.632 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 16 25.495 -0.124 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 16 25.851 -1.094 5.489 1.00 0.00 H new ATOM 128 N ASP A 17 23.380 -2.100 7.510 1.00 0.00 N ATOM 129 CA ASP A 17 23.780 -3.300 8.270 1.00 0.00 C ATOM 130 C ASP A 17 23.010 -4.520 7.770 1.00 0.00 C ATOM 131 O ASP A 17 23.590 -5.450 7.250 1.00 0.00 O ATOM 132 CB ASP A 17 23.480 -3.100 9.760 1.00 0.00 C ATOM 133 CG ASP A 17 24.310 -4.030 10.650 1.00 0.00 C ATOM 134 OD1 ASP A 17 24.680 -5.130 10.190 1.00 0.00 O ATOM 135 OD2 ASP A 17 24.570 -3.590 11.790 1.00 0.00 O ATOM 0 H ASP A 17 23.069 -1.328 8.099 1.00 0.00 H new ATOM 0 HA ASP A 17 24.849 -3.459 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.681 -2.064 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 17 22.420 -3.277 9.942 1.00 0.00 H new ATOM 137 N THR A 18 21.700 -4.380 7.720 1.00 0.00 N ATOM 138 CA THR A 18 20.830 -5.470 7.250 1.00 0.00 C ATOM 139 C THR A 18 21.070 -5.820 5.790 1.00 0.00 C ATOM 140 O THR A 18 21.260 -6.980 5.480 1.00 0.00 O ATOM 141 CB THR A 18 19.410 -5.040 7.450 1.00 0.00 C ATOM 142 OG1 THR A 18 19.300 -4.630 8.810 1.00 0.00 O ATOM 143 CG2 THR A 18 18.470 -6.190 7.220 1.00 0.00 C ATOM 0 H THR A 18 21.205 -3.532 7.995 1.00 0.00 H new ATOM 0 HA THR A 18 21.055 -6.370 7.822 1.00 0.00 H new ATOM 0 HB THR A 18 19.153 -4.242 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 18 18.895 -5.350 9.337 1.00 0.00 H new ATOM 0 HG21 THR A 18 17.443 -5.856 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 18.587 -6.557 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 18 18.697 -6.992 7.922 1.00 0.00 H new ATOM 146 N LEU A 19 21.090 -4.810 4.930 1.00 0.00 N ATOM 147 CA LEU A 19 21.410 -5.020 3.510 1.00 0.00 C ATOM 148 C LEU A 19 22.740 -5.760 3.310 1.00 0.00 C ATOM 149 O LEU A 19 22.800 -6.690 2.510 1.00 0.00 O ATOM 150 CB LEU A 19 21.480 -3.670 2.790 1.00 0.00 C ATOM 151 CG LEU A 19 20.270 -2.770 3.090 1.00 0.00 C ATOM 152 CD1 LEU A 19 20.370 -1.570 2.180 1.00 0.00 C ATOM 153 CD2 LEU A 19 18.930 -3.460 2.860 1.00 0.00 C ATOM 0 H LEU A 19 20.891 -3.842 5.181 1.00 0.00 H new ATOM 0 HA LEU A 19 20.616 -5.640 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.393 -3.153 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.543 -3.840 1.715 1.00 0.00 H new ATOM 0 HG LEU A 19 20.299 -2.500 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.527 -0.904 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.301 -1.039 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.355 -1.899 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.120 -2.768 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.855 -3.772 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.855 -4.334 3.506 1.00 0.00 H new ATOM 155 N ASN A 20 23.650 -5.520 4.250 1.00 0.00 N ATOM 156 CA ASN A 20 24.930 -6.230 4.330 1.00 0.00 C ATOM 157 C ASN A 20 24.740 -7.660 4.790 1.00 0.00 C ATOM 158 O ASN A 20 25.260 -8.570 4.170 1.00 0.00 O ATOM 159 CB ASN A 20 25.850 -5.560 5.340 1.00 0.00 C ATOM 160 CG ASN A 20 27.220 -5.270 4.750 1.00 0.00 C ATOM 161 OD1 ASN A 20 27.770 -5.990 3.930 1.00 0.00 O ATOM 162 ND2 ASN A 20 27.760 -4.160 5.190 1.00 0.00 N ATOM 0 H ASN A 20 23.522 -4.823 4.984 1.00 0.00 H new ATOM 0 HA ASN A 20 25.362 -6.208 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.397 -4.629 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 20 25.959 -6.202 6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 20 28.675 -3.867 4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 20 27.265 -3.589 5.875 1.00 0.00 H new ATOM 166 N LEU A 21 23.890 -7.870 5.780 1.00 0.00 N ATOM 167 CA LEU A 21 23.570 -9.220 6.260 1.00 0.00 C ATOM 168 C LEU A 21 22.790 -10.010 5.200 1.00 0.00 C ATOM 169 O LEU A 21 23.040 -11.190 5.050 1.00 0.00 O ATOM 170 CB LEU A 21 22.720 -9.070 7.500 1.00 0.00 C ATOM 171 CG LEU A 21 23.300 -8.230 8.630 1.00 0.00 C ATOM 172 CD1 LEU A 21 22.170 -7.950 9.610 1.00 0.00 C ATOM 173 CD2 LEU A 21 24.540 -8.870 9.250 1.00 0.00 C ATOM 0 H LEU A 21 23.402 -7.124 6.275 1.00 0.00 H new ATOM 0 HA LEU A 21 24.490 -9.764 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 21 21.765 -8.633 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 21 22.509 -10.066 7.890 1.00 0.00 H new ATOM 0 HG LEU A 21 23.677 -7.278 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.547 -7.348 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.373 -7.409 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.780 -8.892 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 21 24.916 -8.233 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.281 -9.848 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 21 25.310 -8.986 8.487 1.00 0.00 H new ATOM 175 N ILE A 22 21.910 -9.380 4.420 1.00 0.00 N ATOM 176 CA ILE A 22 21.230 -10.030 3.280 1.00 0.00 C ATOM 177 C ILE A 22 22.240 -10.400 2.180 1.00 0.00 C ATOM 178 O ILE A 22 22.170 -11.490 1.610 1.00 0.00 O ATOM 179 CB ILE A 22 20.090 -9.140 2.780 1.00 0.00 C ATOM 180 CG1 ILE A 22 18.930 -9.260 3.770 1.00 0.00 C ATOM 181 CG2 ILE A 22 19.580 -9.460 1.360 1.00 0.00 C ATOM 182 CD1 ILE A 22 18.570 -7.880 4.310 1.00 0.00 C ATOM 0 H ILE A 22 21.643 -8.405 4.554 1.00 0.00 H new ATOM 0 HA ILE A 22 20.783 -10.969 3.605 1.00 0.00 H new ATOM 0 HB ILE A 22 20.491 -8.128 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.065 -9.706 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.207 -9.921 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.774 -8.774 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.396 -9.348 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.209 -10.485 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.743 -7.969 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.434 -7.451 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.275 -7.232 3.485 1.00 0.00 H new ATOM 184 N ALA A 23 23.190 -9.500 1.950 1.00 0.00 N ATOM 185 CA ALA A 23 24.240 -9.670 0.940 1.00 0.00 C ATOM 186 C ALA A 23 25.300 -10.700 1.380 1.00 0.00 C ATOM 187 O ALA A 23 25.580 -11.660 0.670 1.00 0.00 O ATOM 188 CB ALA A 23 24.900 -8.320 0.630 1.00 0.00 C ATOM 0 H ALA A 23 23.257 -8.621 2.463 1.00 0.00 H new ATOM 0 HA ALA A 23 23.769 -10.054 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 23 25.678 -8.459 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 24.149 -7.627 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 25.343 -7.914 1.540 1.00 0.00 H new ATOM 190 N SER A 24 25.740 -10.560 2.630 1.00 0.00 N ATOM 191 CA SER A 24 26.700 -11.470 3.280 1.00 0.00 C ATOM 192 C SER A 24 26.010 -12.750 3.780 1.00 0.00 C ATOM 193 O SER A 24 26.660 -13.640 4.320 1.00 0.00 O ATOM 194 CB SER A 24 27.370 -10.770 4.470 1.00 0.00 C ATOM 195 OG SER A 24 28.780 -10.980 4.410 1.00 0.00 O ATOM 0 H SER A 24 25.437 -9.798 3.236 1.00 0.00 H new ATOM 0 HA SER A 24 27.449 -11.742 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 24 27.149 -9.703 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.972 -11.160 5.407 1.00 0.00 H new ATOM 0 HG SER A 24 29.210 -10.532 5.168 1.00 0.00 H new ATOM 198 N ASP A 25 24.690 -12.830 3.580 1.00 0.00 N ATOM 199 CA ASP A 25 23.840 -13.960 4.020 1.00 0.00 C ATOM 200 C ASP A 25 24.100 -14.300 5.500 1.00 0.00 C ATOM 201 O ASP A 25 24.160 -15.450 5.910 1.00 0.00 O ATOM 202 CB ASP A 25 24.120 -15.130 3.080 1.00 0.00 C ATOM 203 CG ASP A 25 22.840 -15.840 2.660 1.00 0.00 C ATOM 204 OD1 ASP A 25 22.140 -15.250 1.800 1.00 0.00 O ATOM 205 OD2 ASP A 25 22.610 -16.950 3.160 1.00 0.00 O ATOM 0 H ASP A 25 24.165 -12.100 3.099 1.00 0.00 H new ATOM 0 HA ASP A 25 22.782 -13.704 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.641 -14.767 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.784 -15.840 3.572 1.00 0.00 H new ATOM 207 N GLY A 26 24.280 -13.230 6.270 1.00 0.00 N ATOM 208 CA GLY A 26 24.650 -13.280 7.680 1.00 0.00 C ATOM 209 C GLY A 26 26.160 -13.310 7.960 1.00 0.00 C ATOM 210 O GLY A 26 26.950 -13.010 7.070 1.00 0.00 O ATOM 0 H GLY A 26 24.169 -12.278 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.221 -12.413 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.196 -14.165 8.127 1.00 0.00 H new ATOM 212 N PRO A 27 26.500 -13.580 9.230 1.00 0.00 N ATOM 213 CA PRO A 27 25.550 -13.830 10.330 1.00 0.00 C ATOM 214 C PRO A 27 24.890 -12.530 10.810 1.00 0.00 C ATOM 215 O PRO A 27 25.460 -11.450 10.700 1.00 0.00 O ATOM 216 CB PRO A 27 26.360 -14.500 11.430 1.00 0.00 C ATOM 217 CG PRO A 27 27.790 -14.020 11.190 1.00 0.00 C ATOM 218 CD PRO A 27 27.890 -13.680 9.700 1.00 0.00 C ATOM 0 HA PRO A 27 24.725 -14.467 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 27 26.004 -14.211 12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 27 26.290 -15.586 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 27 28.014 -13.147 11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 27 28.509 -14.793 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 27 28.426 -12.743 9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 27 28.434 -14.452 9.156 1.00 0.00 H new ATOM 219 N PHE A 28 23.610 -12.670 11.100 1.00 0.00 N ATOM 220 CA PHE A 28 22.790 -11.520 11.510 1.00 0.00 C ATOM 221 C PHE A 28 22.830 -11.330 13.030 1.00 0.00 C ATOM 222 O PHE A 28 22.800 -12.320 13.770 1.00 0.00 O ATOM 223 CB PHE A 28 21.360 -11.740 11.050 1.00 0.00 C ATOM 224 CG PHE A 28 21.100 -11.910 9.550 1.00 0.00 C ATOM 225 CD1 PHE A 28 21.490 -13.080 8.870 1.00 0.00 C ATOM 226 CD2 PHE A 28 20.380 -10.900 8.860 1.00 0.00 C ATOM 227 CE1 PHE A 28 21.220 -13.230 7.490 1.00 0.00 C ATOM 228 CE2 PHE A 28 20.120 -11.040 7.480 1.00 0.00 C ATOM 229 CZ PHE A 28 20.560 -12.190 6.800 1.00 0.00 C ATOM 0 H PHE A 28 23.108 -13.557 11.063 1.00 0.00 H new ATOM 0 HA PHE A 28 23.193 -10.618 11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 28 20.980 -12.627 11.556 1.00 0.00 H new ATOM 0 HB3 PHE A 28 20.765 -10.895 11.397 1.00 0.00 H new ATOM 0 HD1 PHE A 28 21.999 -13.868 9.406 1.00 0.00 H new ATOM 0 HD2 PHE A 28 20.032 -10.026 9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 28 21.515 -14.129 6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.585 -10.267 6.948 1.00 0.00 H new ATOM 0 HZ PHE A 28 20.391 -12.279 5.737 1.00 0.00 H new ATOM 231 N PRO A 29 22.950 -10.070 13.490 1.00 0.00 N ATOM 232 CA PRO A 29 23.020 -9.730 14.920 1.00 0.00 C ATOM 233 C PRO A 29 21.650 -9.860 15.590 1.00 0.00 C ATOM 234 O PRO A 29 21.460 -10.710 16.450 1.00 0.00 O ATOM 235 CB PRO A 29 23.600 -8.310 14.960 1.00 0.00 C ATOM 236 CG PRO A 29 23.230 -7.680 13.630 1.00 0.00 C ATOM 237 CD PRO A 29 23.120 -8.860 12.670 1.00 0.00 C ATOM 0 HA PRO A 29 23.652 -10.412 15.489 1.00 0.00 H new ATOM 0 HB2 PRO A 29 23.186 -7.741 15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 29 24.681 -8.332 15.096 1.00 0.00 H new ATOM 0 HG2 PRO A 29 22.289 -7.133 13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 29 23.989 -6.970 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 29 22.274 -8.730 11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 29 24.013 -8.937 12.050 1.00 0.00 H new ATOM 238 N TYR A 30 20.700 -9.050 15.120 1.00 0.00 N ATOM 239 CA TYR A 30 19.310 -9.070 15.610 1.00 0.00 C ATOM 240 C TYR A 30 18.710 -10.470 15.470 1.00 0.00 C ATOM 241 O TYR A 30 19.130 -11.240 14.620 1.00 0.00 O ATOM 242 CB TYR A 30 18.460 -8.070 14.830 1.00 0.00 C ATOM 243 CG TYR A 30 17.810 -7.030 15.750 1.00 0.00 C ATOM 244 CD1 TYR A 30 17.440 -7.330 17.080 1.00 0.00 C ATOM 245 CD2 TYR A 30 17.590 -5.750 15.210 1.00 0.00 C ATOM 246 CE1 TYR A 30 16.850 -6.340 17.880 1.00 0.00 C ATOM 247 CE2 TYR A 30 16.990 -4.750 16.000 1.00 0.00 C ATOM 248 CZ TYR A 30 16.640 -5.060 17.320 1.00 0.00 C ATOM 249 OH TYR A 30 16.100 -4.090 18.090 1.00 0.00 O ATOM 0 H TYR A 30 20.867 -8.359 14.388 1.00 0.00 H new ATOM 0 HA TYR A 30 19.317 -8.792 16.664 1.00 0.00 H new ATOM 0 HB2 TYR A 30 19.082 -7.563 14.092 1.00 0.00 H new ATOM 0 HB3 TYR A 30 17.684 -8.604 14.281 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.611 -8.319 17.480 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.880 -5.534 14.192 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.563 -6.551 18.900 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.804 -3.766 15.596 1.00 0.00 H new ATOM 0 HH TYR A 30 16.235 -3.219 17.661 1.00 0.00 H new ATOM 252 N SER A 31 17.710 -10.760 16.290 1.00 0.00 N ATOM 253 CA SER A 31 16.970 -12.040 16.200 1.00 0.00 C ATOM 254 C SER A 31 15.880 -11.990 15.110 1.00 0.00 C ATOM 255 O SER A 31 15.080 -12.910 14.940 1.00 0.00 O ATOM 256 CB SER A 31 16.360 -12.370 17.560 1.00 0.00 C ATOM 257 OG SER A 31 16.670 -13.720 17.880 1.00 0.00 O ATOM 0 H SER A 31 17.382 -10.137 17.028 1.00 0.00 H new ATOM 0 HA SER A 31 17.671 -12.826 15.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.754 -11.700 18.324 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.280 -12.225 17.535 1.00 0.00 H new ATOM 0 HG SER A 31 16.286 -13.946 18.753 1.00 0.00 H new ATOM 260 N GLN A 32 15.880 -10.900 14.350 1.00 0.00 N ATOM 261 CA GLN A 32 14.910 -10.680 13.280 1.00 0.00 C ATOM 262 C GLN A 32 15.540 -10.860 11.910 1.00 0.00 C ATOM 263 O GLN A 32 16.000 -9.910 11.270 1.00 0.00 O ATOM 264 CB GLN A 32 14.290 -9.300 13.420 1.00 0.00 C ATOM 265 CG GLN A 32 12.820 -9.510 13.730 1.00 0.00 C ATOM 266 CD GLN A 32 11.980 -8.560 12.890 1.00 0.00 C ATOM 267 OE1 GLN A 32 11.780 -7.420 13.250 1.00 0.00 O ATOM 268 NE2 GLN A 32 11.580 -9.000 11.720 1.00 0.00 N ATOM 0 H GLN A 32 16.554 -10.142 14.458 1.00 0.00 H new ATOM 0 HA GLN A 32 14.124 -11.429 13.371 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.776 -8.737 14.216 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.413 -8.726 12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.538 -10.542 13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.633 -9.336 14.790 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.765 -9.966 11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.085 -8.376 11.083 1.00 0.00 H new ATOM 272 N ASP A 33 15.600 -12.130 11.540 1.00 0.00 N ATOM 273 CA ASP A 33 16.190 -12.590 10.270 1.00 0.00 C ATOM 274 C ASP A 33 16.110 -14.100 10.090 1.00 0.00 C ATOM 275 O ASP A 33 16.310 -14.840 11.040 1.00 0.00 O ATOM 276 CB ASP A 33 17.660 -12.220 10.190 1.00 0.00 C ATOM 277 CG ASP A 33 18.470 -12.740 11.360 1.00 0.00 C ATOM 278 OD1 ASP A 33 19.020 -13.850 11.220 1.00 0.00 O ATOM 279 OD2 ASP A 33 18.630 -11.930 12.290 1.00 0.00 O ATOM 0 H ASP A 33 15.237 -12.890 12.115 1.00 0.00 H new ATOM 0 HA ASP A 33 15.608 -12.098 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.077 -12.614 9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.753 -11.135 10.145 1.00 0.00 H new ATOM 281 N GLY A 34 15.940 -14.470 8.830 1.00 0.00 N ATOM 282 CA GLY A 34 15.840 -15.890 8.410 1.00 0.00 C ATOM 283 C GLY A 34 14.390 -16.390 8.520 1.00 0.00 C ATOM 284 O GLY A 34 14.130 -17.530 8.880 1.00 0.00 O ATOM 0 H GLY A 34 15.866 -13.807 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.189 -15.996 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.490 -16.505 9.033 1.00 0.00 H new ATOM 286 N VAL A 35 13.470 -15.480 8.210 1.00 0.00 N ATOM 287 CA VAL A 35 12.020 -15.750 8.230 1.00 0.00 C ATOM 288 C VAL A 35 11.380 -15.160 6.970 1.00 0.00 C ATOM 289 O VAL A 35 11.830 -14.130 6.490 1.00 0.00 O ATOM 290 CB VAL A 35 11.360 -15.200 9.520 1.00 0.00 C ATOM 291 CG1 VAL A 35 11.970 -15.840 10.770 1.00 0.00 C ATOM 292 CG2 VAL A 35 11.420 -13.670 9.650 1.00 0.00 C ATOM 0 H VAL A 35 13.703 -14.526 7.935 1.00 0.00 H new ATOM 0 HA VAL A 35 11.857 -16.828 8.235 1.00 0.00 H new ATOM 0 HB VAL A 35 10.308 -15.472 9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.487 -15.434 11.659 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.820 -16.919 10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.037 -15.623 10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.937 -13.365 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.461 -13.346 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.905 -13.213 8.805 1.00 0.00 H new ATOM 294 N VAL A 36 10.290 -15.800 6.550 1.00 0.00 N ATOM 295 CA VAL A 36 9.450 -15.350 5.410 1.00 0.00 C ATOM 296 C VAL A 36 8.400 -14.350 5.910 1.00 0.00 C ATOM 297 O VAL A 36 8.000 -14.350 7.060 1.00 0.00 O ATOM 298 CB VAL A 36 8.850 -16.580 4.670 1.00 0.00 C ATOM 299 CG1 VAL A 36 7.610 -16.310 3.800 1.00 0.00 C ATOM 300 CG2 VAL A 36 9.890 -17.220 3.770 1.00 0.00 C ATOM 0 H VAL A 36 9.950 -16.656 6.988 1.00 0.00 H new ATOM 0 HA VAL A 36 10.054 -14.822 4.672 1.00 0.00 H new ATOM 0 HB VAL A 36 8.533 -17.230 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.282 -17.240 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.808 -15.913 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.860 -15.585 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.452 -18.078 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.228 -16.494 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.738 -17.548 4.371 1.00 0.00 H new ATOM 302 N PHE A 37 7.930 -13.550 4.960 1.00 0.00 N ATOM 303 CA PHE A 37 6.880 -12.560 5.180 1.00 0.00 C ATOM 304 C PHE A 37 5.890 -12.630 4.020 1.00 0.00 C ATOM 305 O PHE A 37 6.000 -11.860 3.080 1.00 0.00 O ATOM 306 CB PHE A 37 7.580 -11.190 5.240 1.00 0.00 C ATOM 307 CG PHE A 37 6.620 -10.040 5.520 1.00 0.00 C ATOM 308 CD1 PHE A 37 6.050 -9.920 6.800 1.00 0.00 C ATOM 309 CD2 PHE A 37 6.260 -9.140 4.490 1.00 0.00 C ATOM 310 CE1 PHE A 37 5.090 -8.910 7.040 1.00 0.00 C ATOM 311 CE2 PHE A 37 5.320 -8.120 4.740 1.00 0.00 C ATOM 312 CZ PHE A 37 4.720 -8.020 6.010 1.00 0.00 C ATOM 0 H PHE A 37 8.273 -13.571 4.000 1.00 0.00 H new ATOM 0 HA PHE A 37 6.325 -12.735 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.345 -11.213 6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.090 -11.008 4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.343 -10.593 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.706 -9.234 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.638 -8.820 8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.061 -7.418 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.975 -7.260 6.196 1.00 0.00 H new ATOM 314 N GLN A 38 4.860 -13.470 4.110 1.00 0.00 N ATOM 315 CA GLN A 38 3.860 -13.590 3.020 1.00 0.00 C ATOM 316 C GLN A 38 2.940 -12.350 2.950 1.00 0.00 C ATOM 317 O GLN A 38 1.720 -12.450 2.930 1.00 0.00 O ATOM 318 CB GLN A 38 3.060 -14.880 3.200 1.00 0.00 C ATOM 319 CG GLN A 38 2.390 -15.260 1.870 1.00 0.00 C ATOM 320 CD GLN A 38 0.860 -15.260 1.880 1.00 0.00 C ATOM 321 OE1 GLN A 38 0.160 -14.630 2.660 1.00 0.00 O ATOM 322 NE2 GLN A 38 0.290 -16.000 0.960 1.00 0.00 N ATOM 0 H GLN A 38 4.686 -14.076 4.912 1.00 0.00 H new ATOM 0 HA GLN A 38 4.386 -13.636 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.717 -15.684 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.305 -14.747 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.731 -14.567 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.734 -16.253 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.864 -16.530 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.727 -16.046 0.900 1.00 0.00 H new ATOM 326 N ASN A 39 3.550 -11.170 2.910 1.00 0.00 N ATOM 327 CA ASN A 39 2.920 -9.850 2.980 1.00 0.00 C ATOM 328 C ASN A 39 1.580 -9.930 3.710 1.00 0.00 C ATOM 329 O ASN A 39 0.510 -9.750 3.130 1.00 0.00 O ATOM 330 CB ASN A 39 2.780 -9.300 1.580 1.00 0.00 C ATOM 331 CG ASN A 39 2.060 -7.960 1.530 1.00 0.00 C ATOM 332 OD1 ASN A 39 2.080 -7.170 2.470 1.00 0.00 O ATOM 333 ND2 ASN A 39 1.430 -7.700 0.410 1.00 0.00 N ATOM 0 H ASN A 39 4.564 -11.103 2.822 1.00 0.00 H new ATOM 0 HA ASN A 39 3.545 -9.167 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.771 -9.189 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.237 -10.019 0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.934 -6.816 0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.436 -8.382 -0.349 1.00 0.00 H new ATOM 337 N ARG A 40 1.680 -10.420 4.930 1.00 0.00 N ATOM 338 CA ARG A 40 0.490 -10.620 5.780 1.00 0.00 C ATOM 339 C ARG A 40 -0.300 -9.320 5.950 1.00 0.00 C ATOM 340 O ARG A 40 -1.510 -9.330 6.170 1.00 0.00 O ATOM 341 CB ARG A 40 0.830 -11.210 7.140 1.00 0.00 C ATOM 342 CG ARG A 40 2.080 -10.610 7.790 1.00 0.00 C ATOM 343 CD ARG A 40 3.250 -11.530 7.470 1.00 0.00 C ATOM 344 NE ARG A 40 4.070 -11.620 8.690 1.00 0.00 N ATOM 345 CZ ARG A 40 3.820 -12.490 9.670 1.00 0.00 C ATOM 346 NH1 ARG A 40 2.800 -13.330 9.560 1.00 0.00 N ATOM 347 NH2 ARG A 40 4.560 -12.500 10.770 1.00 0.00 N ATOM 0 H ARG A 40 2.562 -10.690 5.366 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.134 -11.345 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.019 -11.065 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.971 -12.285 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.266 -9.606 7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.946 -10.521 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.895 -12.516 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.835 -11.136 6.640 1.00 0.00 H new ATOM 0 HE ARG A 40 4.865 -10.989 8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.210 -13.309 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.606 -13.997 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.329 -11.838 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.360 -13.169 11.513 1.00 0.00 H new ATOM 354 N GLU A 41 0.410 -8.220 5.720 1.00 0.00 N ATOM 355 CA GLU A 41 -0.180 -6.890 5.720 1.00 0.00 C ATOM 356 C GLU A 41 -0.830 -6.500 4.390 1.00 0.00 C ATOM 357 O GLU A 41 -1.430 -5.440 4.310 1.00 0.00 O ATOM 358 CB GLU A 41 0.890 -5.880 6.090 1.00 0.00 C ATOM 359 CG GLU A 41 0.530 -5.300 7.460 1.00 0.00 C ATOM 360 CD GLU A 41 1.330 -4.060 7.820 1.00 0.00 C ATOM 361 OE1 GLU A 41 2.370 -3.820 7.150 1.00 0.00 O ATOM 362 OE2 GLU A 41 0.920 -3.430 8.820 1.00 0.00 O ATOM 0 H GLU A 41 1.412 -8.228 5.528 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.986 -6.897 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.870 -6.356 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.944 -5.089 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.532 -5.055 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.692 -6.062 8.223 1.00 0.00 H new ATOM 364 N SER A 42 -0.710 -7.350 3.360 1.00 0.00 N ATOM 365 CA SER A 42 -1.240 -7.090 2.010 1.00 0.00 C ATOM 366 C SER A 42 -0.980 -5.650 1.540 1.00 0.00 C ATOM 367 O SER A 42 -1.850 -4.880 1.140 1.00 0.00 O ATOM 368 CB SER A 42 -2.710 -7.500 1.940 1.00 0.00 C ATOM 369 OG SER A 42 -3.260 -7.200 0.660 1.00 0.00 O ATOM 0 H SER A 42 -0.236 -8.250 3.440 1.00 0.00 H new ATOM 0 HA SER A 42 -0.694 -7.710 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.804 -8.567 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.274 -6.980 2.714 1.00 0.00 H new ATOM 0 HG SER A 42 -3.024 -6.282 0.410 1.00 0.00 H new ATOM 372 N VAL A 43 0.260 -5.230 1.750 1.00 0.00 N ATOM 373 CA VAL A 43 0.680 -3.860 1.430 1.00 0.00 C ATOM 374 C VAL A 43 1.740 -3.890 0.320 1.00 0.00 C ATOM 375 O VAL A 43 1.940 -2.930 -0.420 1.00 0.00 O ATOM 376 CB VAL A 43 1.130 -3.130 2.710 1.00 0.00 C ATOM 377 CG1 VAL A 43 1.640 -1.720 2.410 1.00 0.00 C ATOM 378 CG2 VAL A 43 -0.030 -2.900 3.670 1.00 0.00 C ATOM 0 H VAL A 43 0.999 -5.815 2.141 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.158 -3.284 1.038 1.00 0.00 H new ATOM 0 HB VAL A 43 1.901 -3.772 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.947 -1.239 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.491 -1.778 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.845 -1.137 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.331 -2.383 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.792 -2.293 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.460 -3.859 3.958 1.00 0.00 H new ATOM 380 N LEU A 44 2.420 -5.020 0.210 1.00 0.00 N ATOM 381 CA LEU A 44 3.530 -5.120 -0.750 1.00 0.00 C ATOM 382 C LEU A 44 3.060 -5.830 -2.020 1.00 0.00 C ATOM 383 O LEU A 44 2.270 -6.770 -1.950 1.00 0.00 O ATOM 384 CB LEU A 44 4.740 -5.800 -0.090 1.00 0.00 C ATOM 385 CG LEU A 44 5.180 -5.200 1.260 1.00 0.00 C ATOM 386 CD1 LEU A 44 6.680 -5.120 1.260 1.00 0.00 C ATOM 387 CD2 LEU A 44 4.770 -3.760 1.500 1.00 0.00 C ATOM 0 H LEU A 44 2.238 -5.864 0.753 1.00 0.00 H new ATOM 0 HA LEU A 44 3.856 -4.124 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.506 -6.854 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.582 -5.755 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 44 4.717 -5.841 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.022 -4.698 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.098 -6.119 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.010 -4.485 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.129 -3.437 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.202 -3.125 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.683 -3.681 1.469 1.00 0.00 H new ATOM 389 N PRO A 45 3.470 -5.340 -3.190 1.00 0.00 N ATOM 390 CA PRO A 45 3.020 -5.920 -4.470 1.00 0.00 C ATOM 391 C PRO A 45 3.760 -7.240 -4.740 1.00 0.00 C ATOM 392 O PRO A 45 4.650 -7.330 -5.570 1.00 0.00 O ATOM 393 CB PRO A 45 3.280 -4.810 -5.490 1.00 0.00 C ATOM 394 CG PRO A 45 4.440 -4.010 -4.910 1.00 0.00 C ATOM 395 CD PRO A 45 4.320 -4.150 -3.400 1.00 0.00 C ATOM 0 HA PRO A 45 1.969 -6.206 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.533 -5.222 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.398 -4.185 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.397 -4.394 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.385 -2.964 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.298 -4.278 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.871 -3.261 -2.956 1.00 0.00 H new ATOM 396 N THR A 46 3.400 -8.220 -3.910 1.00 0.00 N ATOM 397 CA THR A 46 3.950 -9.590 -3.950 1.00 0.00 C ATOM 398 C THR A 46 3.500 -10.250 -5.260 1.00 0.00 C ATOM 399 O THR A 46 3.190 -9.560 -6.230 1.00 0.00 O ATOM 400 CB THR A 46 3.470 -10.390 -2.730 1.00 0.00 C ATOM 401 OG1 THR A 46 2.080 -10.640 -2.770 1.00 0.00 O ATOM 402 CG2 THR A 46 3.740 -9.640 -1.430 1.00 0.00 C ATOM 0 H THR A 46 2.705 -8.089 -3.175 1.00 0.00 H new ATOM 0 HA THR A 46 5.039 -9.564 -3.914 1.00 0.00 H new ATOM 0 HB THR A 46 4.025 -11.328 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.817 -11.152 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.388 -10.235 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.811 -9.463 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.215 -8.685 -1.445 1.00 0.00 H new ATOM 405 N GLN A 47 3.420 -11.570 -5.230 1.00 0.00 N ATOM 406 CA GLN A 47 2.980 -12.400 -6.370 1.00 0.00 C ATOM 407 C GLN A 47 3.070 -13.890 -6.010 1.00 0.00 C ATOM 408 O GLN A 47 2.240 -14.710 -6.400 1.00 0.00 O ATOM 409 CB GLN A 47 3.840 -12.090 -7.600 1.00 0.00 C ATOM 410 CG GLN A 47 3.560 -13.050 -8.760 1.00 0.00 C ATOM 411 CD GLN A 47 3.610 -12.350 -10.110 1.00 0.00 C ATOM 412 OE1 GLN A 47 2.880 -11.420 -10.410 1.00 0.00 O ATOM 413 NE2 GLN A 47 4.400 -12.920 -10.980 1.00 0.00 N ATOM 0 H GLN A 47 3.661 -12.117 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 47 1.941 -12.166 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.651 -11.067 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.894 -12.149 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.291 -13.859 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.579 -13.505 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.998 -13.696 -10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.419 -12.589 -11.945 1.00 0.00 H new ATOM 417 N SER A 48 4.180 -14.220 -5.370 1.00 0.00 N ATOM 418 CA SER A 48 4.490 -15.600 -4.990 1.00 0.00 C ATOM 419 C SER A 48 4.750 -15.710 -3.490 1.00 0.00 C ATOM 420 O SER A 48 4.940 -14.720 -2.780 1.00 0.00 O ATOM 421 CB SER A 48 5.670 -16.120 -5.820 1.00 0.00 C ATOM 422 OG SER A 48 6.650 -15.090 -5.900 1.00 0.00 O ATOM 0 H SER A 48 4.894 -13.545 -5.097 1.00 0.00 H new ATOM 0 HA SER A 48 3.627 -16.230 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.094 -17.012 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.336 -16.404 -6.818 1.00 0.00 H new ATOM 0 HG SER A 48 7.427 -15.335 -5.355 1.00 0.00 H new ATOM 425 N TYR A 49 4.630 -16.950 -3.030 1.00 0.00 N ATOM 426 CA TYR A 49 4.810 -17.300 -1.620 1.00 0.00 C ATOM 427 C TYR A 49 6.310 -17.460 -1.330 1.00 0.00 C ATOM 428 O TYR A 49 7.080 -17.900 -2.180 1.00 0.00 O ATOM 429 CB TYR A 49 4.080 -18.620 -1.360 1.00 0.00 C ATOM 430 CG TYR A 49 4.070 -19.040 0.120 1.00 0.00 C ATOM 431 CD1 TYR A 49 5.240 -19.550 0.720 1.00 0.00 C ATOM 432 CD2 TYR A 49 2.870 -18.900 0.850 1.00 0.00 C ATOM 433 CE1 TYR A 49 5.250 -19.880 2.080 1.00 0.00 C ATOM 434 CE2 TYR A 49 2.860 -19.260 2.220 1.00 0.00 C ATOM 435 CZ TYR A 49 4.050 -19.730 2.810 1.00 0.00 C ATOM 436 OH TYR A 49 4.060 -20.080 4.120 1.00 0.00 O ATOM 0 H TYR A 49 4.404 -17.747 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 49 4.407 -16.521 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.052 -18.531 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.551 -19.407 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.132 -19.687 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.976 -18.525 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.150 -20.239 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.955 -19.176 2.803 1.00 0.00 H new ATOM 0 HH TYR A 49 3.172 -19.927 4.506 1.00 0.00 H new ATOM 439 N GLY A 50 6.680 -17.060 -0.110 1.00 0.00 N ATOM 440 CA GLY A 50 8.060 -17.170 0.380 1.00 0.00 C ATOM 441 C GLY A 50 9.010 -16.250 -0.390 1.00 0.00 C ATOM 442 O GLY A 50 10.200 -16.230 -0.110 1.00 0.00 O ATOM 0 H GLY A 50 6.034 -16.652 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.091 -16.919 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.398 -18.202 0.287 1.00 0.00 H new ATOM 444 N TYR A 51 8.410 -15.370 -1.180 1.00 0.00 N ATOM 445 CA TYR A 51 9.110 -14.370 -1.990 1.00 0.00 C ATOM 446 C TYR A 51 9.450 -13.110 -1.190 1.00 0.00 C ATOM 447 O TYR A 51 9.800 -12.080 -1.760 1.00 0.00 O ATOM 448 CB TYR A 51 8.210 -14.040 -3.180 1.00 0.00 C ATOM 449 CG TYR A 51 8.980 -14.150 -4.500 1.00 0.00 C ATOM 450 CD1 TYR A 51 9.280 -15.430 -5.010 1.00 0.00 C ATOM 451 CD2 TYR A 51 9.290 -12.960 -5.210 1.00 0.00 C ATOM 452 CE1 TYR A 51 9.890 -15.540 -6.270 1.00 0.00 C ATOM 453 CE2 TYR A 51 9.920 -13.070 -6.460 1.00 0.00 C ATOM 454 CZ TYR A 51 10.220 -14.360 -6.970 1.00 0.00 C ATOM 455 OH TYR A 51 10.930 -14.470 -8.120 1.00 0.00 O ATOM 0 H TYR A 51 7.396 -15.327 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 51 10.065 -14.773 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.358 -14.719 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.812 -13.031 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.043 -16.315 -4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.047 -11.992 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.103 -16.510 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.173 -12.185 -7.025 1.00 0.00 H new ATOM 0 HH TYR A 51 11.085 -13.578 -8.496 1.00 0.00 H new ATOM 458 N TYR A 52 9.260 -13.200 0.120 1.00 0.00 N ATOM 459 CA TYR A 52 9.430 -12.070 1.040 1.00 0.00 C ATOM 460 C TYR A 52 10.010 -12.590 2.340 1.00 0.00 C ATOM 461 O TYR A 52 9.610 -13.650 2.810 1.00 0.00 O ATOM 462 CB TYR A 52 8.080 -11.460 1.340 1.00 0.00 C ATOM 463 CG TYR A 52 7.490 -10.510 0.320 1.00 0.00 C ATOM 464 CD1 TYR A 52 7.210 -10.950 -0.980 1.00 0.00 C ATOM 465 CD2 TYR A 52 7.420 -9.160 0.700 1.00 0.00 C ATOM 466 CE1 TYR A 52 6.940 -9.990 -1.980 1.00 0.00 C ATOM 467 CE2 TYR A 52 7.070 -8.220 -0.280 1.00 0.00 C ATOM 468 CZ TYR A 52 6.820 -8.640 -1.600 1.00 0.00 C ATOM 469 OH TYR A 52 6.240 -7.770 -2.480 1.00 0.00 O ATOM 0 H TYR A 52 8.981 -14.065 0.583 1.00 0.00 H new ATOM 0 HA TYR A 52 10.087 -11.326 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.371 -12.274 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.157 -10.927 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.201 -12.004 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.629 -8.855 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.828 -10.285 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.992 -7.174 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 52 6.911 -7.131 -2.799 1.00 0.00 H new ATOM 472 N HIS A 53 10.870 -11.760 2.900 1.00 0.00 N ATOM 473 CA HIS A 53 11.530 -12.060 4.180 1.00 0.00 C ATOM 474 C HIS A 53 11.710 -10.790 5.010 1.00 0.00 C ATOM 475 O HIS A 53 11.650 -9.670 4.490 1.00 0.00 O ATOM 476 CB HIS A 53 12.880 -12.750 3.940 1.00 0.00 C ATOM 477 CG HIS A 53 12.790 -14.080 3.180 1.00 0.00 C ATOM 478 ND1 HIS A 53 12.840 -14.210 1.860 1.00 0.00 N ATOM 479 CD2 HIS A 53 12.670 -15.290 3.710 1.00 0.00 C ATOM 480 CE1 HIS A 53 12.730 -15.500 1.570 1.00 0.00 C ATOM 481 NE2 HIS A 53 12.630 -16.160 2.710 1.00 0.00 N ATOM 0 H HIS A 53 11.137 -10.863 2.493 1.00 0.00 H new ATOM 0 HA HIS A 53 10.892 -12.741 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.526 -12.071 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.359 -12.928 4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.615 -15.524 4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.723 -15.933 0.580 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.537 -17.171 2.805 1.00 0.00 H new ATOM 485 N GLU A 54 11.810 -10.990 6.310 1.00 0.00 N ATOM 486 CA GLU A 54 11.960 -9.860 7.260 1.00 0.00 C ATOM 487 C GLU A 54 13.360 -9.870 7.850 1.00 0.00 C ATOM 488 O GLU A 54 13.920 -10.930 8.130 1.00 0.00 O ATOM 489 CB GLU A 54 10.980 -9.950 8.420 1.00 0.00 C ATOM 490 CG GLU A 54 9.550 -9.780 7.950 1.00 0.00 C ATOM 491 CD GLU A 54 8.680 -10.890 8.540 1.00 0.00 C ATOM 492 OE1 GLU A 54 8.840 -12.030 8.070 1.00 0.00 O ATOM 493 OE2 GLU A 54 7.870 -10.590 9.440 1.00 0.00 O ATOM 0 H GLU A 54 11.792 -11.911 6.748 1.00 0.00 H new ATOM 0 HA GLU A 54 11.766 -8.947 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.089 -10.914 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.216 -9.183 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.170 -8.805 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.508 -9.812 6.861 1.00 0.00 H new ATOM 495 N TYR A 55 13.870 -8.650 8.020 1.00 0.00 N ATOM 496 CA TYR A 55 15.240 -8.440 8.500 1.00 0.00 C ATOM 497 C TYR A 55 15.370 -7.070 9.160 1.00 0.00 C ATOM 498 O TYR A 55 15.950 -6.140 8.610 1.00 0.00 O ATOM 499 CB TYR A 55 16.200 -8.530 7.310 1.00 0.00 C ATOM 500 CG TYR A 55 16.260 -9.870 6.590 1.00 0.00 C ATOM 501 CD1 TYR A 55 16.840 -10.970 7.230 1.00 0.00 C ATOM 502 CD2 TYR A 55 15.690 -9.970 5.310 1.00 0.00 C ATOM 503 CE1 TYR A 55 16.850 -12.220 6.600 1.00 0.00 C ATOM 504 CE2 TYR A 55 15.730 -11.220 4.660 1.00 0.00 C ATOM 505 CZ TYR A 55 16.290 -12.330 5.310 1.00 0.00 C ATOM 506 OH TYR A 55 16.240 -13.540 4.710 1.00 0.00 O ATOM 0 H TYR A 55 13.356 -7.789 7.833 1.00 0.00 H new ATOM 0 HA TYR A 55 15.484 -9.204 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.920 -7.765 6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.203 -8.285 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.280 -10.855 8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.234 -9.113 4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 55 17.277 -13.082 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.330 -11.323 3.662 1.00 0.00 H new ATOM 0 HH TYR A 55 15.825 -13.450 3.827 1.00 0.00 H new ATOM 509 N THR A 56 14.650 -6.890 10.260 1.00 0.00 N ATOM 510 CA THR A 56 14.720 -5.610 10.990 1.00 0.00 C ATOM 511 C THR A 56 16.140 -5.060 11.090 1.00 0.00 C ATOM 512 O THR A 56 17.100 -5.770 11.370 1.00 0.00 O ATOM 513 CB THR A 56 14.060 -5.760 12.370 1.00 0.00 C ATOM 514 OG1 THR A 56 12.960 -4.880 12.450 1.00 0.00 O ATOM 515 CG2 THR A 56 14.890 -5.460 13.590 1.00 0.00 C ATOM 0 H THR A 56 14.025 -7.586 10.666 1.00 0.00 H new ATOM 0 HA THR A 56 14.164 -4.869 10.416 1.00 0.00 H new ATOM 0 HB THR A 56 13.828 -6.824 12.406 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.209 -5.334 12.887 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.288 -5.611 14.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.752 -6.126 13.616 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.232 -4.426 13.552 1.00 0.00 H new ATOM 518 N VAL A 57 16.190 -3.770 10.850 1.00 0.00 N ATOM 519 CA VAL A 57 17.460 -3.050 10.870 1.00 0.00 C ATOM 520 C VAL A 57 17.630 -2.430 12.250 1.00 0.00 C ATOM 521 O VAL A 57 16.780 -1.650 12.680 1.00 0.00 O ATOM 522 CB VAL A 57 17.580 -2.000 9.770 1.00 0.00 C ATOM 523 CG1 VAL A 57 17.250 -2.630 8.440 1.00 0.00 C ATOM 524 CG2 VAL A 57 16.570 -0.880 9.850 1.00 0.00 C ATOM 0 H VAL A 57 15.376 -3.193 10.639 1.00 0.00 H new ATOM 0 HA VAL A 57 18.261 -3.761 10.668 1.00 0.00 H new ATOM 0 HB VAL A 57 18.594 -1.617 9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.335 -1.882 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.945 -3.446 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.232 -3.018 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 57 16.733 -0.183 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.563 -1.292 9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 57 16.683 -0.355 10.798 1.00 0.00 H new ATOM 526 N ILE A 58 18.680 -2.880 12.930 1.00 0.00 N ATOM 527 CA ILE A 58 19.060 -2.280 14.230 1.00 0.00 C ATOM 528 C ILE A 58 18.960 -0.750 14.150 1.00 0.00 C ATOM 529 O ILE A 58 19.140 -0.160 13.090 1.00 0.00 O ATOM 530 CB ILE A 58 20.440 -2.830 14.670 1.00 0.00 C ATOM 531 CG1 ILE A 58 20.260 -3.740 15.880 1.00 0.00 C ATOM 532 CG2 ILE A 58 21.510 -1.790 15.030 1.00 0.00 C ATOM 533 CD1 ILE A 58 20.880 -5.110 15.620 1.00 0.00 C ATOM 0 H ILE A 58 19.281 -3.644 12.620 1.00 0.00 H new ATOM 0 HA ILE A 58 18.365 -2.569 15.019 1.00 0.00 H new ATOM 0 HB ILE A 58 20.810 -3.348 13.785 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.724 -3.285 16.756 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.199 -3.852 16.103 1.00 0.00 H new ATOM 0 HG21 ILE A 58 22.429 -2.299 15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.705 -1.155 14.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.157 -1.177 15.859 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.741 -5.744 16.495 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.397 -5.570 14.758 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.945 -4.995 15.421 1.00 0.00 H new ATOM 535 N THR A 59 18.640 -0.160 15.290 1.00 0.00 N ATOM 536 CA THR A 59 18.500 1.310 15.390 1.00 0.00 C ATOM 537 C THR A 59 19.090 1.840 16.700 1.00 0.00 C ATOM 538 O THR A 59 18.990 1.170 17.730 1.00 0.00 O ATOM 539 CB THR A 59 17.040 1.680 15.120 1.00 0.00 C ATOM 540 OG1 THR A 59 16.910 1.500 13.720 1.00 0.00 O ATOM 541 CG2 THR A 59 16.620 3.110 15.480 1.00 0.00 C ATOM 0 H THR A 59 18.470 -0.660 16.163 1.00 0.00 H new ATOM 0 HA THR A 59 19.092 1.816 14.627 1.00 0.00 H new ATOM 0 HB THR A 59 16.397 1.064 15.749 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.483 0.636 13.539 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.565 3.250 15.243 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.778 3.278 16.545 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.218 3.820 14.908 1.00 0.00 H new ATOM 544 N PRO A 60 19.740 3.020 16.660 1.00 0.00 N ATOM 545 CA PRO A 60 20.320 3.630 17.860 1.00 0.00 C ATOM 546 C PRO A 60 19.210 4.250 18.720 1.00 0.00 C ATOM 547 O PRO A 60 18.150 4.620 18.210 1.00 0.00 O ATOM 548 CB PRO A 60 21.300 4.680 17.350 1.00 0.00 C ATOM 549 CG PRO A 60 20.770 5.080 15.970 1.00 0.00 C ATOM 550 CD PRO A 60 20.000 3.870 15.470 1.00 0.00 C ATOM 0 HA PRO A 60 20.830 2.905 18.495 1.00 0.00 H new ATOM 0 HB2 PRO A 60 21.343 5.538 18.020 1.00 0.00 H new ATOM 0 HB3 PRO A 60 22.311 4.277 17.283 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.126 5.957 16.035 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.586 5.334 15.294 1.00 0.00 H new ATOM 0 HD2 PRO A 60 19.066 4.172 14.996 1.00 0.00 H new ATOM 0 HD3 PRO A 60 20.575 3.325 14.721 1.00 0.00 H new ATOM 551 N GLY A 61 19.430 4.170 20.030 1.00 0.00 N ATOM 552 CA GLY A 61 18.460 4.610 21.050 1.00 0.00 C ATOM 553 C GLY A 61 17.090 3.920 20.890 1.00 0.00 C ATOM 554 O GLY A 61 16.060 4.430 21.320 1.00 0.00 O ATOM 0 H GLY A 61 20.293 3.795 20.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 18.858 4.397 22.042 1.00 0.00 H new ATOM 0 HA3 GLY A 61 18.330 5.690 20.983 1.00 0.00 H new ATOM 556 N ALA A 62 17.120 2.740 20.280 1.00 0.00 N ATOM 557 CA ALA A 62 15.920 1.940 20.050 1.00 0.00 C ATOM 558 C ALA A 62 15.850 0.950 21.190 1.00 0.00 C ATOM 559 O ALA A 62 16.540 -0.080 21.180 1.00 0.00 O ATOM 560 CB ALA A 62 15.990 1.230 18.690 1.00 0.00 C ATOM 0 H ALA A 62 17.976 2.310 19.931 1.00 0.00 H new ATOM 0 HA ALA A 62 15.025 2.561 20.021 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.086 0.640 18.540 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.075 1.972 17.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.860 0.573 18.667 1.00 0.00 H new ATOM 562 N ARG A 63 15.150 1.380 22.250 1.00 0.00 N ATOM 563 CA ARG A 63 14.910 0.550 23.450 1.00 0.00 C ATOM 564 C ARG A 63 14.650 -0.920 23.100 1.00 0.00 C ATOM 565 O ARG A 63 15.030 -1.830 23.830 1.00 0.00 O ATOM 566 CB ARG A 63 13.730 1.060 24.280 1.00 0.00 C ATOM 567 CG ARG A 63 14.230 2.060 25.330 1.00 0.00 C ATOM 568 CD ARG A 63 13.550 3.430 25.230 1.00 0.00 C ATOM 569 NE ARG A 63 12.530 3.610 26.280 1.00 0.00 N ATOM 570 CZ ARG A 63 11.250 3.210 26.230 1.00 0.00 C ATOM 571 NH1 ARG A 63 10.760 2.560 25.180 1.00 0.00 N ATOM 572 NH2 ARG A 63 10.440 3.450 27.260 1.00 0.00 N ATOM 0 H ARG A 63 14.733 2.309 22.304 1.00 0.00 H new ATOM 0 HA ARG A 63 15.826 0.625 24.035 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.995 1.537 23.631 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.229 0.225 24.769 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.059 1.648 26.325 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.307 2.187 25.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.301 4.216 25.313 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.086 3.535 24.249 1.00 0.00 H new ATOM 0 HE ARG A 63 12.828 4.087 27.131 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.361 2.352 24.383 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.783 2.269 25.171 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.793 3.937 28.084 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.467 3.147 27.225 1.00 0.00 H new ATOM 579 N THR A 64 14.000 -1.100 21.950 1.00 0.00 N ATOM 580 CA THR A 64 13.670 -2.430 21.420 1.00 0.00 C ATOM 581 C THR A 64 13.880 -2.430 19.890 1.00 0.00 C ATOM 582 O THR A 64 14.640 -1.630 19.340 1.00 0.00 O ATOM 583 CB THR A 64 12.220 -2.750 21.820 1.00 0.00 C ATOM 584 OG1 THR A 64 11.360 -1.840 21.120 1.00 0.00 O ATOM 585 CG2 THR A 64 11.960 -2.670 23.330 1.00 0.00 C ATOM 0 H THR A 64 13.686 -0.331 21.358 1.00 0.00 H new ATOM 0 HA THR A 64 14.317 -3.205 21.831 1.00 0.00 H new ATOM 0 HB THR A 64 12.019 -3.786 21.547 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.427 -2.024 21.357 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.916 -2.909 23.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.602 -3.382 23.848 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.177 -1.662 23.684 1.00 0.00 H new ATOM 588 N ARG A 65 13.080 -3.230 19.200 1.00 0.00 N ATOM 589 CA ARG A 65 13.050 -3.290 17.730 1.00 0.00 C ATOM 590 C ARG A 65 12.460 -2.030 17.080 1.00 0.00 C ATOM 591 O ARG A 65 12.460 -1.900 15.860 1.00 0.00 O ATOM 592 CB ARG A 65 12.220 -4.520 17.400 1.00 0.00 C ATOM 593 CG ARG A 65 12.960 -5.340 16.360 1.00 0.00 C ATOM 594 CD ARG A 65 12.340 -6.730 16.200 1.00 0.00 C ATOM 595 NE ARG A 65 10.890 -6.610 16.020 1.00 0.00 N ATOM 596 CZ ARG A 65 10.010 -7.580 16.270 1.00 0.00 C ATOM 597 NH1 ARG A 65 10.410 -8.790 16.620 1.00 0.00 N ATOM 598 NH2 ARG A 65 8.710 -7.330 16.150 1.00 0.00 N ATOM 0 H ARG A 65 12.420 -3.869 19.644 1.00 0.00 H new ATOM 0 HA ARG A 65 14.063 -3.348 17.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.050 -5.113 18.298 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.241 -4.225 17.022 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.941 -4.819 15.403 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.006 -5.438 16.649 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.781 -7.238 15.343 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.557 -7.338 17.078 1.00 0.00 H new ATOM 0 HE ARG A 65 10.528 -5.720 15.679 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.406 -8.994 16.703 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.723 -9.520 16.808 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.393 -6.402 15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.030 -8.066 16.339 1.00 0.00 H new ATOM 605 N GLY A 66 11.940 -1.150 17.940 1.00 0.00 N ATOM 606 CA GLY A 66 11.290 0.110 17.570 1.00 0.00 C ATOM 607 C GLY A 66 10.290 -0.140 16.440 1.00 0.00 C ATOM 608 O GLY A 66 9.570 -1.130 16.410 1.00 0.00 O ATOM 0 H GLY A 66 11.961 -1.301 18.949 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.779 0.534 18.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.038 0.837 17.253 1.00 0.00 H new ATOM 610 N THR A 67 10.460 0.690 15.430 1.00 0.00 N ATOM 611 CA THR A 67 9.610 0.650 14.250 1.00 0.00 C ATOM 612 C THR A 67 10.350 0.200 12.980 1.00 0.00 C ATOM 613 O THR A 67 9.770 -0.370 12.060 1.00 0.00 O ATOM 614 CB THR A 67 9.000 2.030 14.090 1.00 0.00 C ATOM 615 OG1 THR A 67 10.020 3.020 14.180 1.00 0.00 O ATOM 616 CG2 THR A 67 7.860 2.290 15.090 1.00 0.00 C ATOM 0 H THR A 67 11.185 1.407 15.401 1.00 0.00 H new ATOM 0 HA THR A 67 8.835 -0.103 14.391 1.00 0.00 H new ATOM 0 HB THR A 67 8.544 2.085 13.101 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.045 3.540 13.350 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.459 3.291 14.932 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.070 1.555 14.940 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.243 2.209 16.107 1.00 0.00 H new ATOM 619 N ARG A 68 11.620 0.590 12.920 1.00 0.00 N ATOM 620 CA ARG A 68 12.570 0.190 11.860 1.00 0.00 C ATOM 621 C ARG A 68 12.420 -1.280 11.500 1.00 0.00 C ATOM 622 O ARG A 68 12.170 -2.120 12.360 1.00 0.00 O ATOM 623 CB ARG A 68 13.990 0.380 12.370 1.00 0.00 C ATOM 624 CG ARG A 68 14.700 1.470 11.580 1.00 0.00 C ATOM 625 CD ARG A 68 14.490 2.880 12.130 1.00 0.00 C ATOM 626 NE ARG A 68 15.820 3.500 12.280 1.00 0.00 N ATOM 627 CZ ARG A 68 16.070 4.790 12.490 1.00 0.00 C ATOM 628 NH1 ARG A 68 15.070 5.660 12.500 1.00 0.00 N ATOM 629 NH2 ARG A 68 17.300 5.210 12.720 1.00 0.00 N ATOM 0 H ARG A 68 12.037 1.207 13.617 1.00 0.00 H new ATOM 0 HA ARG A 68 12.363 0.804 10.983 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.970 0.644 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.541 -0.556 12.285 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.768 1.254 11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.353 1.439 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.868 3.466 11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.973 2.844 13.089 1.00 0.00 H new ATOM 0 HE ARG A 68 16.627 2.879 12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.114 5.340 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.257 6.650 12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.072 4.543 12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.479 6.201 12.880 1.00 0.00 H new ATOM 636 N ARG A 69 12.380 -1.480 10.190 1.00 0.00 N ATOM 637 CA ARG A 69 12.160 -2.810 9.590 1.00 0.00 C ATOM 638 C ARG A 69 12.470 -2.790 8.090 1.00 0.00 C ATOM 639 O ARG A 69 12.170 -1.820 7.400 1.00 0.00 O ATOM 640 CB ARG A 69 10.710 -3.240 9.770 1.00 0.00 C ATOM 641 CG ARG A 69 10.500 -4.320 10.800 1.00 0.00 C ATOM 642 CD ARG A 69 10.980 -5.670 10.260 1.00 0.00 C ATOM 643 NE ARG A 69 9.890 -6.650 10.290 1.00 0.00 N ATOM 644 CZ ARG A 69 9.190 -7.030 11.370 1.00 0.00 C ATOM 645 NH1 ARG A 69 9.340 -6.490 12.570 1.00 0.00 N ATOM 646 NH2 ARG A 69 8.260 -7.950 11.270 1.00 0.00 N ATOM 0 H ARG A 69 12.498 -0.733 9.505 1.00 0.00 H new ATOM 0 HA ARG A 69 12.826 -3.511 10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.118 -2.369 10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.327 -3.590 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.042 -4.072 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.444 -4.381 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.343 -5.552 9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.818 -6.030 10.857 1.00 0.00 H new ATOM 0 HE ARG A 69 9.639 -7.086 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.018 -5.741 12.711 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.777 -6.823 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.065 -8.382 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.732 -8.234 12.096 1.00 0.00 H new ATOM 653 N ILE A 70 13.070 -3.900 7.680 1.00 0.00 N ATOM 654 CA ILE A 70 13.410 -4.150 6.270 1.00 0.00 C ATOM 655 C ILE A 70 12.700 -5.420 5.800 1.00 0.00 C ATOM 656 O ILE A 70 12.790 -6.470 6.430 1.00 0.00 O ATOM 657 CB ILE A 70 14.940 -4.170 6.050 1.00 0.00 C ATOM 658 CG1 ILE A 70 15.310 -2.780 5.530 1.00 0.00 C ATOM 659 CG2 ILE A 70 15.490 -5.290 5.130 1.00 0.00 C ATOM 660 CD1 ILE A 70 16.800 -2.500 5.240 1.00 0.00 C ATOM 0 H ILE A 70 13.338 -4.657 8.309 1.00 0.00 H new ATOM 0 HA ILE A 70 13.051 -3.328 5.650 1.00 0.00 H new ATOM 0 HB ILE A 70 15.413 -4.410 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.750 -2.605 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 70 14.966 -2.046 6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.574 -5.199 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 70 15.236 -6.263 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 70 15.047 -5.196 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 70 16.915 -1.478 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 70 17.379 -2.628 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 70 17.160 -3.196 4.482 1.00 0.00 H new ATOM 662 N ILE A 71 12.100 -5.280 4.630 1.00 0.00 N ATOM 663 CA ILE A 71 11.360 -6.390 4.010 1.00 0.00 C ATOM 664 C ILE A 71 11.970 -6.650 2.640 1.00 0.00 C ATOM 665 O ILE A 71 11.840 -5.860 1.720 1.00 0.00 O ATOM 666 CB ILE A 71 9.860 -6.080 3.900 1.00 0.00 C ATOM 667 CG1 ILE A 71 9.270 -5.420 5.170 1.00 0.00 C ATOM 668 CG2 ILE A 71 9.100 -7.360 3.520 1.00 0.00 C ATOM 669 CD1 ILE A 71 9.460 -6.200 6.470 1.00 0.00 C ATOM 0 H ILE A 71 12.105 -4.418 4.085 1.00 0.00 H new ATOM 0 HA ILE A 71 11.443 -7.280 4.634 1.00 0.00 H new ATOM 0 HB ILE A 71 9.737 -5.336 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.722 -4.435 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.203 -5.264 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.035 -7.141 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.466 -7.730 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.259 -8.119 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.009 -5.648 7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.982 -7.176 6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.525 -6.334 6.662 1.00 0.00 H new ATOM 671 N THR A 72 12.780 -7.680 2.580 1.00 0.00 N ATOM 672 CA THR A 72 13.450 -8.080 1.330 1.00 0.00 C ATOM 673 C THR A 72 12.560 -9.030 0.520 1.00 0.00 C ATOM 674 O THR A 72 11.580 -9.580 1.030 1.00 0.00 O ATOM 675 CB THR A 72 14.780 -8.720 1.660 1.00 0.00 C ATOM 676 OG1 THR A 72 14.510 -9.620 2.730 1.00 0.00 O ATOM 677 CG2 THR A 72 15.830 -7.680 2.060 1.00 0.00 C ATOM 0 H THR A 72 13.003 -8.271 3.381 1.00 0.00 H new ATOM 0 HA THR A 72 13.628 -7.198 0.715 1.00 0.00 H new ATOM 0 HB THR A 72 15.198 -9.233 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.317 -9.733 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.770 -8.182 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.982 -6.982 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.486 -7.135 2.939 1.00 0.00 H new ATOM 680 N GLY A 73 12.900 -9.140 -0.760 1.00 0.00 N ATOM 681 CA GLY A 73 12.180 -9.990 -1.720 1.00 0.00 C ATOM 682 C GLY A 73 13.020 -11.210 -2.080 1.00 0.00 C ATOM 683 O GLY A 73 14.170 -11.350 -1.650 1.00 0.00 O ATOM 0 H GLY A 73 13.689 -8.640 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.229 -10.308 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.950 -9.420 -2.620 1.00 0.00 H new ATOM 685 N GLU A 74 12.490 -12.010 -3.000 1.00 0.00 N ATOM 686 CA GLU A 74 13.250 -13.170 -3.500 1.00 0.00 C ATOM 687 C GLU A 74 14.320 -12.770 -4.530 1.00 0.00 C ATOM 688 O GLU A 74 15.130 -13.590 -4.960 1.00 0.00 O ATOM 689 CB GLU A 74 12.320 -14.170 -4.180 1.00 0.00 C ATOM 690 CG GLU A 74 12.840 -15.600 -4.230 1.00 0.00 C ATOM 691 CD GLU A 74 12.060 -16.490 -3.260 1.00 0.00 C ATOM 692 OE1 GLU A 74 11.940 -16.080 -2.090 1.00 0.00 O ATOM 693 OE2 GLU A 74 11.540 -17.530 -3.730 1.00 0.00 O ATOM 0 H GLU A 74 11.564 -11.890 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 74 13.733 -13.610 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.363 -14.165 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.130 -13.832 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.749 -15.991 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.900 -15.617 -3.976 1.00 0.00 H new ATOM 695 N ALA A 75 14.230 -11.530 -4.970 1.00 0.00 N ATOM 696 CA ALA A 75 15.220 -10.960 -5.900 1.00 0.00 C ATOM 697 C ALA A 75 15.820 -9.720 -5.230 1.00 0.00 C ATOM 698 O ALA A 75 15.110 -8.910 -4.630 1.00 0.00 O ATOM 699 CB ALA A 75 14.530 -10.600 -7.210 1.00 0.00 C ATOM 0 H ALA A 75 13.484 -10.887 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 75 16.013 -11.673 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.259 -10.178 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.091 -11.496 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.745 -9.868 -7.019 1.00 0.00 H new ATOM 701 N THR A 76 17.150 -9.670 -5.260 1.00 0.00 N ATOM 702 CA THR A 76 17.900 -8.520 -4.740 1.00 0.00 C ATOM 703 C THR A 76 17.310 -7.260 -5.370 1.00 0.00 C ATOM 704 O THR A 76 16.790 -7.300 -6.480 1.00 0.00 O ATOM 705 CB THR A 76 19.400 -8.700 -5.050 1.00 0.00 C ATOM 706 OG1 THR A 76 19.830 -9.780 -4.240 1.00 0.00 O ATOM 707 CG2 THR A 76 20.300 -7.480 -4.780 1.00 0.00 C ATOM 0 H THR A 76 17.736 -10.414 -5.640 1.00 0.00 H new ATOM 0 HA THR A 76 17.816 -8.436 -3.657 1.00 0.00 H new ATOM 0 HB THR A 76 19.496 -8.866 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.783 -9.946 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.331 -7.725 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.966 -6.640 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.241 -7.211 -3.725 1.00 0.00 H new ATOM 710 N GLN A 77 17.390 -6.180 -4.590 1.00 0.00 N ATOM 711 CA GLN A 77 16.920 -4.810 -4.940 1.00 0.00 C ATOM 712 C GLN A 77 15.410 -4.670 -4.660 1.00 0.00 C ATOM 713 O GLN A 77 14.670 -3.960 -5.330 1.00 0.00 O ATOM 714 CB GLN A 77 17.230 -4.380 -6.390 1.00 0.00 C ATOM 715 CG GLN A 77 18.610 -4.890 -6.850 1.00 0.00 C ATOM 716 CD GLN A 77 19.450 -3.880 -7.590 1.00 0.00 C ATOM 717 OE1 GLN A 77 19.330 -2.670 -7.430 1.00 0.00 O ATOM 718 NE2 GLN A 77 20.420 -4.410 -8.300 1.00 0.00 N ATOM 0 H GLN A 77 17.798 -6.223 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 77 17.488 -4.135 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.458 -4.765 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.201 -3.293 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.165 -5.230 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.464 -5.758 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 77 20.480 -5.423 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 77 21.113 -3.809 -8.746 1.00 0.00 H new ATOM 722 N GLU A 78 14.980 -5.380 -3.610 1.00 0.00 N ATOM 723 CA GLU A 78 13.580 -5.420 -3.160 1.00 0.00 C ATOM 724 C GLU A 78 13.440 -5.420 -1.630 1.00 0.00 C ATOM 725 O GLU A 78 12.730 -6.210 -1.030 1.00 0.00 O ATOM 726 CB GLU A 78 12.810 -6.580 -3.800 1.00 0.00 C ATOM 727 CG GLU A 78 12.440 -6.260 -5.240 1.00 0.00 C ATOM 728 CD GLU A 78 11.300 -7.170 -5.700 1.00 0.00 C ATOM 729 OE1 GLU A 78 10.150 -6.770 -5.470 1.00 0.00 O ATOM 730 OE2 GLU A 78 11.610 -8.220 -6.300 1.00 0.00 O ATOM 0 H GLU A 78 15.603 -5.952 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 78 13.125 -4.492 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.417 -7.485 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.906 -6.783 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.139 -5.216 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.308 -6.395 -5.886 1.00 0.00 H new ATOM 732 N ASP A 79 14.150 -4.480 -1.030 1.00 0.00 N ATOM 733 CA ASP A 79 14.220 -4.290 0.430 1.00 0.00 C ATOM 734 C ASP A 79 13.400 -3.070 0.850 1.00 0.00 C ATOM 735 O ASP A 79 13.850 -1.950 0.710 1.00 0.00 O ATOM 736 CB ASP A 79 15.670 -4.170 0.940 1.00 0.00 C ATOM 737 CG ASP A 79 16.710 -3.630 -0.060 1.00 0.00 C ATOM 738 OD1 ASP A 79 16.330 -2.940 -1.030 1.00 0.00 O ATOM 739 OD2 ASP A 79 17.880 -4.060 0.070 1.00 0.00 O ATOM 0 H ASP A 79 14.712 -3.805 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 79 13.794 -5.182 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.671 -3.521 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.997 -5.155 1.273 1.00 0.00 H new ATOM 741 N TYR A 80 12.150 -3.330 1.150 1.00 0.00 N ATOM 742 CA TYR A 80 11.170 -2.320 1.560 1.00 0.00 C ATOM 743 C TYR A 80 11.430 -1.890 3.000 1.00 0.00 C ATOM 744 O TYR A 80 11.620 -2.720 3.890 1.00 0.00 O ATOM 745 CB TYR A 80 9.760 -2.930 1.480 1.00 0.00 C ATOM 746 CG TYR A 80 9.500 -3.690 0.180 1.00 0.00 C ATOM 747 CD1 TYR A 80 9.020 -2.990 -0.940 1.00 0.00 C ATOM 748 CD2 TYR A 80 9.710 -5.090 0.130 1.00 0.00 C ATOM 749 CE1 TYR A 80 8.750 -3.690 -2.130 1.00 0.00 C ATOM 750 CE2 TYR A 80 9.450 -5.800 -1.050 1.00 0.00 C ATOM 751 CZ TYR A 80 8.970 -5.080 -2.160 1.00 0.00 C ATOM 752 OH TYR A 80 8.720 -5.750 -3.310 1.00 0.00 O ATOM 0 H TYR A 80 11.763 -4.273 1.119 1.00 0.00 H new ATOM 0 HA TYR A 80 11.253 -1.456 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.617 -3.607 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.022 -2.134 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.860 -1.923 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.072 -5.612 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.381 -3.171 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.613 -6.866 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 80 9.560 -5.894 -3.794 1.00 0.00 H new ATOM 755 N TYR A 81 11.450 -0.580 3.210 1.00 0.00 N ATOM 756 CA TYR A 81 11.740 -0.010 4.520 1.00 0.00 C ATOM 757 C TYR A 81 10.510 0.700 5.060 1.00 0.00 C ATOM 758 O TYR A 81 9.950 1.580 4.420 1.00 0.00 O ATOM 759 CB TYR A 81 12.860 1.020 4.410 1.00 0.00 C ATOM 760 CG TYR A 81 13.640 1.170 5.710 1.00 0.00 C ATOM 761 CD1 TYR A 81 13.130 1.940 6.770 1.00 0.00 C ATOM 762 CD2 TYR A 81 14.910 0.570 5.760 1.00 0.00 C ATOM 763 CE1 TYR A 81 13.930 2.130 7.920 1.00 0.00 C ATOM 764 CE2 TYR A 81 15.710 0.760 6.900 1.00 0.00 C ATOM 765 CZ TYR A 81 15.220 1.550 7.950 1.00 0.00 C ATOM 766 OH TYR A 81 16.080 1.890 8.950 1.00 0.00 O ATOM 0 H TYR A 81 11.267 0.113 2.484 1.00 0.00 H new ATOM 0 HA TYR A 81 12.036 -0.822 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.542 0.727 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.437 1.985 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 81 12.145 2.378 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 81 15.266 -0.028 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.564 2.705 8.758 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.687 0.305 6.966 1.00 0.00 H new ATOM 0 HH TYR A 81 15.896 2.807 9.242 1.00 0.00 H new ATOM 769 N THR A 82 10.180 0.330 6.280 1.00 0.00 N ATOM 770 CA THR A 82 9.040 0.930 6.980 1.00 0.00 C ATOM 771 C THR A 82 9.470 2.160 7.780 1.00 0.00 C ATOM 772 O THR A 82 9.120 3.300 7.490 1.00 0.00 O ATOM 773 CB THR A 82 8.210 -0.110 7.790 1.00 0.00 C ATOM 774 OG1 THR A 82 7.950 0.350 9.110 1.00 0.00 O ATOM 775 CG2 THR A 82 8.750 -1.540 7.800 1.00 0.00 C ATOM 0 H THR A 82 10.678 -0.381 6.815 1.00 0.00 H new ATOM 0 HA THR A 82 8.340 1.293 6.227 1.00 0.00 H new ATOM 0 HB THR A 82 7.273 -0.184 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.059 0.756 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.091 -2.174 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.795 -1.919 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.750 -1.548 8.234 1.00 0.00 H new ATOM 778 N GLY A 83 10.260 1.880 8.820 1.00 0.00 N ATOM 779 CA GLY A 83 10.670 2.890 9.810 1.00 0.00 C ATOM 780 C GLY A 83 9.500 3.410 10.660 1.00 0.00 C ATOM 781 O GLY A 83 9.690 4.280 11.510 1.00 0.00 O ATOM 0 H GLY A 83 10.635 0.949 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.426 2.460 10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.137 3.728 9.293 1.00 0.00 H new ATOM 783 N ASP A 84 8.310 2.850 10.440 1.00 0.00 N ATOM 784 CA ASP A 84 7.100 3.160 11.230 1.00 0.00 C ATOM 785 C ASP A 84 6.380 1.880 11.720 1.00 0.00 C ATOM 786 O ASP A 84 5.270 1.940 12.240 1.00 0.00 O ATOM 787 CB ASP A 84 6.180 4.100 10.440 1.00 0.00 C ATOM 788 CG ASP A 84 4.960 4.610 11.230 1.00 0.00 C ATOM 789 OD1 ASP A 84 4.960 4.510 12.480 1.00 0.00 O ATOM 790 OD2 ASP A 84 4.080 5.180 10.560 1.00 0.00 O ATOM 0 H ASP A 84 8.149 2.162 9.704 1.00 0.00 H new ATOM 0 HA ASP A 84 7.404 3.684 12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.762 4.957 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.829 3.580 9.549 1.00 0.00 H new ATOM 792 N HIS A 85 7.080 0.750 11.640 1.00 0.00 N ATOM 793 CA HIS A 85 6.620 -0.590 12.060 1.00 0.00 C ATOM 794 C HIS A 85 5.440 -1.050 11.220 1.00 0.00 C ATOM 795 O HIS A 85 4.290 -0.710 11.500 1.00 0.00 O ATOM 796 CB HIS A 85 6.240 -0.550 13.550 1.00 0.00 C ATOM 797 CG HIS A 85 6.110 -1.930 14.150 1.00 0.00 C ATOM 798 ND1 HIS A 85 4.970 -2.580 14.350 1.00 0.00 N ATOM 799 CD2 HIS A 85 7.120 -2.650 14.620 1.00 0.00 C ATOM 800 CE1 HIS A 85 5.270 -3.720 14.960 1.00 0.00 C ATOM 801 NE2 HIS A 85 6.590 -3.750 15.120 1.00 0.00 N ATOM 0 H HIS A 85 8.028 0.733 11.265 1.00 0.00 H new ATOM 0 HA HIS A 85 7.429 -1.305 11.910 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.995 0.012 14.099 1.00 0.00 H new ATOM 0 HB3 HIS A 85 5.297 -0.016 13.667 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.168 -2.388 14.598 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.571 -4.483 15.269 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.112 -4.507 15.561 1.00 0.00 H new ATOM 805 N TYR A 86 5.780 -1.650 10.080 1.00 0.00 N ATOM 806 CA TYR A 86 4.780 -2.120 9.110 1.00 0.00 C ATOM 807 C TYR A 86 3.720 -1.070 8.730 1.00 0.00 C ATOM 808 O TYR A 86 2.570 -1.370 8.400 1.00 0.00 O ATOM 809 CB TYR A 86 4.080 -3.350 9.690 1.00 0.00 C ATOM 810 CG TYR A 86 4.880 -4.620 9.520 1.00 0.00 C ATOM 811 CD1 TYR A 86 5.540 -4.850 8.290 1.00 0.00 C ATOM 812 CD2 TYR A 86 4.920 -5.540 10.590 1.00 0.00 C ATOM 813 CE1 TYR A 86 6.290 -6.010 8.140 1.00 0.00 C ATOM 814 CE2 TYR A 86 5.630 -6.730 10.420 1.00 0.00 C ATOM 815 CZ TYR A 86 6.310 -6.940 9.190 1.00 0.00 C ATOM 816 OH TYR A 86 6.980 -8.090 8.960 1.00 0.00 O ATOM 0 H TYR A 86 6.745 -1.825 9.800 1.00 0.00 H new ATOM 0 HA TYR A 86 5.320 -2.349 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.890 -3.186 10.751 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.110 -3.471 9.207 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.462 -4.137 7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.413 -5.328 11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.847 -6.192 7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.662 -7.472 11.204 1.00 0.00 H new ATOM 0 HH TYR A 86 6.825 -8.380 8.037 1.00 0.00 H new ATOM 819 N ALA A 87 4.140 0.180 8.810 1.00 0.00 N ATOM 820 CA ALA A 87 3.210 1.280 8.570 1.00 0.00 C ATOM 821 C ALA A 87 3.460 1.930 7.210 1.00 0.00 C ATOM 822 O ALA A 87 2.570 2.550 6.640 1.00 0.00 O ATOM 823 CB ALA A 87 3.290 2.280 9.710 1.00 0.00 C ATOM 0 H ALA A 87 5.095 0.460 9.034 1.00 0.00 H new ATOM 0 HA ALA A 87 2.194 0.886 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.594 3.098 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.030 1.786 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.304 2.674 9.778 1.00 0.00 H new ATOM 825 N THR A 88 4.660 1.690 6.690 1.00 0.00 N ATOM 826 CA THR A 88 5.120 2.240 5.400 1.00 0.00 C ATOM 827 C THR A 88 6.180 1.290 4.820 1.00 0.00 C ATOM 828 O THR A 88 6.490 0.270 5.430 1.00 0.00 O ATOM 829 CB THR A 88 5.740 3.620 5.620 1.00 0.00 C ATOM 830 OG1 THR A 88 6.610 3.490 6.740 1.00 0.00 O ATOM 831 CG2 THR A 88 4.700 4.710 5.910 1.00 0.00 C ATOM 0 H THR A 88 5.355 1.103 7.151 1.00 0.00 H new ATOM 0 HA THR A 88 4.279 2.334 4.713 1.00 0.00 H new ATOM 0 HB THR A 88 6.256 3.930 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.539 3.462 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.205 5.665 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.011 4.789 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.144 4.452 6.811 1.00 0.00 H new ATOM 834 N PHE A 89 6.530 1.520 3.560 1.00 0.00 N ATOM 835 CA PHE A 89 7.420 0.630 2.780 1.00 0.00 C ATOM 836 C PHE A 89 8.030 1.430 1.620 1.00 0.00 C ATOM 837 O PHE A 89 7.330 1.920 0.740 1.00 0.00 O ATOM 838 CB PHE A 89 6.650 -0.560 2.200 1.00 0.00 C ATOM 839 CG PHE A 89 5.980 -1.420 3.270 1.00 0.00 C ATOM 840 CD1 PHE A 89 6.700 -2.460 3.900 1.00 0.00 C ATOM 841 CD2 PHE A 89 4.650 -1.120 3.680 1.00 0.00 C ATOM 842 CE1 PHE A 89 6.090 -3.220 4.920 1.00 0.00 C ATOM 843 CE2 PHE A 89 4.060 -1.840 4.730 1.00 0.00 C ATOM 844 CZ PHE A 89 4.780 -2.900 5.330 1.00 0.00 C ATOM 0 H PHE A 89 6.208 2.333 3.035 1.00 0.00 H new ATOM 0 HA PHE A 89 8.195 0.251 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.891 -0.192 1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.334 -1.180 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.716 -2.673 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.095 -0.338 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.621 -4.039 5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.068 -1.588 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.317 -3.475 6.118 1.00 0.00 H new ATOM 846 N SER A 90 9.330 1.610 1.720 1.00 0.00 N ATOM 847 CA SER A 90 10.080 2.390 0.710 1.00 0.00 C ATOM 848 C SER A 90 11.300 1.580 0.330 1.00 0.00 C ATOM 849 O SER A 90 12.160 1.340 1.170 1.00 0.00 O ATOM 850 CB SER A 90 10.570 3.750 1.240 1.00 0.00 C ATOM 851 OG SER A 90 9.790 4.180 2.360 1.00 0.00 O ATOM 0 H SER A 90 9.902 1.237 2.478 1.00 0.00 H new ATOM 0 HA SER A 90 9.411 2.584 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.618 3.674 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.513 4.495 0.446 1.00 0.00 H new ATOM 0 HG SER A 90 10.123 5.045 2.678 1.00 0.00 H new ATOM 854 N LEU A 91 11.230 0.990 -0.860 1.00 0.00 N ATOM 855 CA LEU A 91 12.350 0.200 -1.440 1.00 0.00 C ATOM 856 C LEU A 91 13.700 0.870 -1.190 1.00 0.00 C ATOM 857 O LEU A 91 13.790 2.040 -0.870 1.00 0.00 O ATOM 858 CB LEU A 91 12.150 0.010 -2.950 1.00 0.00 C ATOM 859 CG LEU A 91 11.200 -1.130 -3.280 1.00 0.00 C ATOM 860 CD1 LEU A 91 10.920 -1.210 -4.780 1.00 0.00 C ATOM 861 CD2 LEU A 91 11.830 -2.440 -2.830 1.00 0.00 C ATOM 0 H LEU A 91 10.406 1.036 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 91 12.349 -0.771 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.764 0.934 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.116 -0.181 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 91 10.257 -0.950 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.237 -2.036 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.468 -0.277 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.855 -1.374 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.157 -3.266 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.777 -2.586 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.008 -2.408 -1.755 1.00 0.00 H new ATOM 863 N ILE A 92 14.790 0.130 -1.340 1.00 0.00 N ATOM 864 CA ILE A 92 16.130 0.690 -1.120 1.00 0.00 C ATOM 865 C ILE A 92 16.890 0.740 -2.440 1.00 0.00 C ATOM 866 O ILE A 92 17.020 -0.270 -3.140 1.00 0.00 O ATOM 867 CB ILE A 92 16.820 -0.090 0.000 1.00 0.00 C ATOM 868 CG1 ILE A 92 16.500 0.460 1.380 1.00 0.00 C ATOM 869 CG2 ILE A 92 18.350 -0.140 -0.110 1.00 0.00 C ATOM 870 CD1 ILE A 92 15.060 0.370 1.850 1.00 0.00 C ATOM 0 H ILE A 92 14.781 -0.853 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 92 16.085 1.724 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 92 16.418 -1.096 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 92 17.124 -0.063 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 92 16.797 1.509 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 92 18.756 -0.712 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 92 18.632 -0.617 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 92 18.750 0.874 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.976 0.799 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.418 0.921 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.751 -0.675 1.876 1.00 0.00 H new ATOM 872 N ASP A 93 17.540 1.870 -2.640 1.00 0.00 N ATOM 873 CA ASP A 93 18.360 2.070 -3.840 1.00 0.00 C ATOM 874 C ASP A 93 19.830 2.180 -3.420 1.00 0.00 C ATOM 875 O ASP A 93 20.320 3.260 -3.070 1.00 0.00 O ATOM 876 CB ASP A 93 17.890 3.330 -4.580 1.00 0.00 C ATOM 877 CG ASP A 93 18.000 3.170 -6.100 1.00 0.00 C ATOM 878 OD1 ASP A 93 17.710 2.060 -6.600 1.00 0.00 O ATOM 879 OD2 ASP A 93 18.430 4.170 -6.730 1.00 0.00 O ATOM 0 H ASP A 93 17.523 2.663 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 93 18.255 1.225 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.856 3.545 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 93 18.487 4.184 -4.260 1.00 0.00 H new ATOM 881 N GLN A 94 20.500 1.030 -3.430 1.00 0.00 N ATOM 882 CA GLN A 94 21.930 0.930 -3.050 1.00 0.00 C ATOM 883 C GLN A 94 22.820 1.740 -4.010 1.00 0.00 C ATOM 884 O GLN A 94 23.680 2.500 -3.570 1.00 0.00 O ATOM 885 CB GLN A 94 22.430 -0.520 -3.060 1.00 0.00 C ATOM 886 CG GLN A 94 21.500 -1.500 -2.340 1.00 0.00 C ATOM 887 CD GLN A 94 20.930 -2.480 -3.370 1.00 0.00 C ATOM 888 OE1 GLN A 94 21.610 -3.360 -3.870 1.00 0.00 O ATOM 889 NE2 GLN A 94 19.670 -2.320 -3.730 1.00 0.00 N ATOM 0 H GLN A 94 20.081 0.139 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 94 21.999 1.331 -2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 94 22.554 -0.844 -4.093 1.00 0.00 H new ATOM 0 HB3 GLN A 94 23.414 -0.558 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 94 22.045 -2.040 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.693 -0.961 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.108 -1.581 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.258 -2.935 -4.432 1.00 0.00 H new ATOM 893 N THR A 95 22.430 1.710 -5.280 1.00 0.00 N ATOM 894 CA THR A 95 23.010 2.540 -6.360 1.00 0.00 C ATOM 895 C THR A 95 22.990 4.050 -6.050 1.00 0.00 C ATOM 896 O THR A 95 23.840 4.820 -6.500 1.00 0.00 O ATOM 897 CB THR A 95 22.340 2.260 -7.730 1.00 0.00 C ATOM 898 OG1 THR A 95 22.760 3.250 -8.670 1.00 0.00 O ATOM 899 CG2 THR A 95 20.820 2.170 -7.690 1.00 0.00 C ATOM 0 H THR A 95 21.684 1.096 -5.607 1.00 0.00 H new ATOM 0 HA THR A 95 24.057 2.242 -6.419 1.00 0.00 H new ATOM 0 HB THR A 95 22.671 1.268 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.340 3.076 -9.538 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.441 1.972 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 95 20.521 1.362 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.409 3.112 -7.326 1.00 0.00 H new ATOM 902 N CYS A 96 22.060 4.430 -5.190 1.00 0.00 N ATOM 903 CA CYS A 96 21.970 5.820 -4.720 1.00 0.00 C ATOM 904 C CYS A 96 22.840 6.040 -3.470 1.00 0.00 C ATOM 905 O CYS A 96 22.770 5.180 -2.550 1.00 0.00 O ATOM 906 CB CYS A 96 20.490 6.130 -4.490 1.00 0.00 C ATOM 907 SG CYS A 96 20.090 7.910 -4.500 1.00 0.00 S ATOM 908 OXT CYS A 96 23.460 7.110 -3.390 1.00 0.00 O ATOM 0 H CYS A 96 21.355 3.805 -4.799 1.00 0.00 H new ATOM 0 HA CYS A 96 22.364 6.513 -5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 96 19.902 5.632 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 96 20.186 5.706 -3.533 1.00 0.00 H new TER 910 CYS A 96