USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 163 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 ASN : amide:sc= -2.02 K(o=-0.25,f=-4.7!) USER MOD Set 1.2: A 46 THR OG1 : rot -59:sc= 1.96 USER MOD Set 1.3: A 52 TYR OH : rot -117:sc= -1.7! USER MOD Set 1.4: A 80 TYR OH : rot 99:sc= 1.5 USER MOD Set 2.1: A 32 GLN : amide:sc= -3.11 K(o=-4.1,f=-11!) USER MOD Set 2.2: A 56 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 1 ASP N :NH3+ -130:sc= 0.105 (180deg=0) 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 -150:sc= -2.29! USER MOD Single : A 18 THR OG1 : rot -129:sc= -1.99 USER MOD Single : A 20 ASN : amide:sc=-0.00718 X(o=-0.0072,f=-0.31) USER MOD Single : A 24 SER OG : rot -90:sc= 0.969 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 42 SER OG : rot -52:sc= 0.242 USER MOD Single : A 47 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= -0.713 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= -0.525 K(o=-0.53,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -106:sc= -2.67! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 67 THR OG1 : rot 106:sc= 0.358 USER MOD Single : A 72 THR OG1 : rot -144:sc= 1.07 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.000788 X(o=-0.00079,f=-0.029) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0428 USER MOD Single : A 82 THR OG1 : rot -129:sc= 0.313 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -58:sc= 1.07 USER MOD Single : A 88 THR OG1 : rot 111:sc= 1.02 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.05 K(o=-1,f=-4.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.270 -0.090 0.070 1.00 0.00 N ATOM 2 CA ASP A 1 2.020 -0.040 -1.200 1.00 0.00 C ATOM 3 C ASP A 1 2.160 1.400 -1.730 1.00 0.00 C ATOM 4 O ASP A 1 1.810 2.350 -1.020 1.00 0.00 O ATOM 5 CB ASP A 1 1.360 -1.000 -2.220 1.00 0.00 C ATOM 6 CG ASP A 1 -0.050 -0.580 -2.640 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.990 -0.890 -1.880 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.150 -0.030 -3.760 1.00 0.00 O ATOM 0 H1 ASP A 1 1.803 -0.650 0.766 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.136 0.876 0.432 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.342 -0.531 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 1 3.041 -0.380 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.990 -1.062 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.318 -2.000 -1.789 1.00 0.00 H new ATOM 12 N VAL A 2 2.640 1.540 -2.960 1.00 0.00 N ATOM 13 CA VAL A 2 2.720 2.810 -3.710 1.00 0.00 C ATOM 14 C VAL A 2 1.480 3.670 -3.410 1.00 0.00 C ATOM 15 O VAL A 2 0.350 3.180 -3.460 1.00 0.00 O ATOM 16 CB VAL A 2 2.810 2.480 -5.210 1.00 0.00 C ATOM 17 CG1 VAL A 2 2.970 3.700 -6.100 1.00 0.00 C ATOM 18 CG2 VAL A 2 4.020 1.590 -5.450 1.00 0.00 C ATOM 0 H VAL A 2 3.001 0.748 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 2 3.602 3.377 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 2 1.868 1.996 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.026 3.385 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.115 4.362 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.884 4.229 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.091 1.351 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.924 2.111 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.913 0.669 -4.877 1.00 0.00 H new ATOM 20 N SER A 3 1.730 4.950 -3.170 1.00 0.00 N ATOM 21 CA SER A 3 0.650 5.900 -2.830 1.00 0.00 C ATOM 22 C SER A 3 -0.210 6.290 -4.050 1.00 0.00 C ATOM 23 O SER A 3 -1.100 7.140 -3.980 1.00 0.00 O ATOM 24 CB SER A 3 1.260 7.140 -2.170 1.00 0.00 C ATOM 25 OG SER A 3 0.320 7.690 -1.240 1.00 0.00 O ATOM 0 H SER A 3 2.662 5.364 -3.201 1.00 0.00 H new ATOM 0 HA SER A 3 -0.025 5.404 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.185 6.876 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.516 7.881 -2.927 1.00 0.00 H new ATOM 0 HG SER A 3 0.707 8.483 -0.814 1.00 0.00 H new ATOM 28 N GLY A 4 0.090 5.630 -5.170 1.00 0.00 N ATOM 29 CA GLY A 4 -0.590 5.800 -6.460 1.00 0.00 C ATOM 30 C GLY A 4 0.430 6.170 -7.540 1.00 0.00 C ATOM 31 O GLY A 4 1.640 6.020 -7.390 1.00 0.00 O ATOM 0 H GLY A 4 0.838 4.938 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.105 4.879 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.349 6.579 -6.382 1.00 0.00 H new ATOM 33 N THR A 5 -0.110 6.630 -8.650 1.00 0.00 N ATOM 34 CA THR A 5 0.690 7.020 -9.820 1.00 0.00 C ATOM 35 C THR A 5 0.860 8.550 -9.850 1.00 0.00 C ATOM 36 O THR A 5 0.340 9.270 -9.000 1.00 0.00 O ATOM 37 CB THR A 5 -0.020 6.480 -11.080 1.00 0.00 C ATOM 38 OG1 THR A 5 -0.490 5.150 -10.800 1.00 0.00 O ATOM 39 CG2 THR A 5 0.880 6.370 -12.310 1.00 0.00 C ATOM 0 H THR A 5 -1.115 6.748 -8.778 1.00 0.00 H new ATOM 0 HA THR A 5 1.693 6.595 -9.775 1.00 0.00 H new ATOM 0 HB THR A 5 -0.814 7.192 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.946 4.791 -11.590 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.303 5.983 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.273 7.355 -12.563 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.708 5.694 -12.096 1.00 0.00 H new ATOM 42 N VAL A 6 1.720 9.000 -10.750 1.00 0.00 N ATOM 43 CA VAL A 6 2.100 10.410 -10.870 1.00 0.00 C ATOM 44 C VAL A 6 2.220 10.750 -12.360 1.00 0.00 C ATOM 45 O VAL A 6 2.940 10.100 -13.120 1.00 0.00 O ATOM 46 CB VAL A 6 3.370 10.670 -10.020 1.00 0.00 C ATOM 47 CG1 VAL A 6 4.700 10.310 -10.680 1.00 0.00 C ATOM 48 CG2 VAL A 6 3.360 12.110 -9.520 1.00 0.00 C ATOM 0 H VAL A 6 2.182 8.394 -11.428 1.00 0.00 H new ATOM 0 HA VAL A 6 1.346 11.086 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 6 3.313 9.975 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.518 10.533 -9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.710 9.247 -10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.822 10.892 -11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.253 12.294 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.347 12.791 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.473 12.277 -8.909 1.00 0.00 H new ATOM 50 N CYS A 7 1.250 11.540 -12.790 1.00 0.00 N ATOM 51 CA CYS A 7 1.220 12.030 -14.180 1.00 0.00 C ATOM 52 C CYS A 7 2.600 12.520 -14.620 1.00 0.00 C ATOM 53 O CYS A 7 3.290 13.170 -13.840 1.00 0.00 O ATOM 54 CB CYS A 7 0.180 13.130 -14.330 1.00 0.00 C ATOM 55 SG CYS A 7 -1.520 12.480 -14.220 1.00 0.00 S ATOM 0 H CYS A 7 0.474 11.860 -12.211 1.00 0.00 H new ATOM 0 HA CYS A 7 0.941 11.200 -14.829 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.332 13.881 -13.555 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.316 13.630 -15.289 1.00 0.00 H new ATOM 57 N LEU A 8 3.020 12.110 -15.800 1.00 0.00 N ATOM 58 CA LEU A 8 4.350 12.510 -16.300 1.00 0.00 C ATOM 59 C LEU A 8 4.490 14.040 -16.380 1.00 0.00 C ATOM 60 O LEU A 8 5.500 14.570 -15.950 1.00 0.00 O ATOM 61 CB LEU A 8 4.640 11.910 -17.680 1.00 0.00 C ATOM 62 CG LEU A 8 6.060 11.360 -17.880 1.00 0.00 C ATOM 63 CD1 LEU A 8 6.440 11.700 -19.320 1.00 0.00 C ATOM 64 CD2 LEU A 8 7.160 11.890 -16.940 1.00 0.00 C ATOM 0 H LEU A 8 2.484 11.513 -16.430 1.00 0.00 H new ATOM 0 HA LEU A 8 5.074 12.123 -15.584 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.929 11.105 -17.863 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.456 12.675 -18.435 1.00 0.00 H new ATOM 0 HG LEU A 8 6.016 10.296 -17.647 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.445 11.334 -19.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.734 11.229 -20.004 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.412 12.781 -19.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.111 11.420 -17.191 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.248 12.970 -17.056 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.900 11.656 -15.908 1.00 0.00 H new ATOM 66 N SER A 9 3.360 14.690 -16.650 1.00 0.00 N ATOM 67 CA SER A 9 3.240 16.170 -16.630 1.00 0.00 C ATOM 68 C SER A 9 3.440 16.760 -15.220 1.00 0.00 C ATOM 69 O SER A 9 3.960 17.870 -15.070 1.00 0.00 O ATOM 70 CB SER A 9 1.880 16.580 -17.190 1.00 0.00 C ATOM 71 OG SER A 9 1.830 18.010 -17.310 1.00 0.00 O ATOM 0 H SER A 9 2.490 14.215 -16.891 1.00 0.00 H new ATOM 0 HA SER A 9 4.036 16.574 -17.255 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.719 16.116 -18.163 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.083 16.230 -16.534 1.00 0.00 H new ATOM 0 HG SER A 9 0.959 18.278 -17.671 1.00 0.00 H new ATOM 74 N ALA A 10 3.100 15.970 -14.200 1.00 0.00 N ATOM 75 CA ALA A 10 3.310 16.330 -12.780 1.00 0.00 C ATOM 76 C ALA A 10 4.790 16.200 -12.380 1.00 0.00 C ATOM 77 O ALA A 10 5.270 16.920 -11.510 1.00 0.00 O ATOM 78 CB ALA A 10 2.450 15.420 -11.900 1.00 0.00 C ATOM 0 H ALA A 10 2.668 15.055 -14.327 1.00 0.00 H new ATOM 0 HA ALA A 10 3.019 17.371 -12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.600 15.680 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.399 15.550 -12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.737 14.381 -12.061 1.00 0.00 H new ATOM 80 N LEU A 11 5.490 15.260 -13.020 1.00 0.00 N ATOM 81 CA LEU A 11 6.940 15.070 -12.830 1.00 0.00 C ATOM 82 C LEU A 11 7.810 16.040 -13.640 1.00 0.00 C ATOM 83 O LEU A 11 7.320 16.670 -14.570 1.00 0.00 O ATOM 84 CB LEU A 11 7.300 13.620 -13.160 1.00 0.00 C ATOM 85 CG LEU A 11 7.060 12.690 -11.980 1.00 0.00 C ATOM 86 CD1 LEU A 11 7.710 11.380 -12.400 1.00 0.00 C ATOM 87 CD2 LEU A 11 7.720 13.110 -10.650 1.00 0.00 C ATOM 0 H LEU A 11 5.074 14.608 -13.684 1.00 0.00 H new ATOM 0 HA LEU A 11 7.157 15.293 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.709 13.285 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.347 13.565 -13.458 1.00 0.00 H new ATOM 0 HG LEU A 11 5.989 12.666 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.587 10.642 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.237 11.015 -13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.772 11.543 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.484 12.377 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.801 13.163 -10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.343 14.087 -10.349 1.00 0.00 H new ATOM 89 N PRO A 12 9.100 16.210 -13.260 1.00 0.00 N ATOM 90 CA PRO A 12 10.030 17.120 -13.970 1.00 0.00 C ATOM 91 C PRO A 12 10.360 16.640 -15.400 1.00 0.00 C ATOM 92 O PRO A 12 10.100 15.480 -15.740 1.00 0.00 O ATOM 93 CB PRO A 12 11.240 17.200 -13.030 1.00 0.00 C ATOM 94 CG PRO A 12 11.250 15.890 -12.260 1.00 0.00 C ATOM 95 CD PRO A 12 9.760 15.610 -12.080 1.00 0.00 C ATOM 0 HA PRO A 12 9.606 18.107 -14.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.165 17.331 -13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.155 18.051 -12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.749 15.096 -12.815 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.765 15.984 -11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.566 14.539 -12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.387 16.050 -11.155 1.00 0.00 H new ATOM 96 N PRO A 13 11.000 17.470 -16.240 1.00 0.00 N ATOM 97 CA PRO A 13 11.410 17.070 -17.600 1.00 0.00 C ATOM 98 C PRO A 13 12.560 16.040 -17.590 1.00 0.00 C ATOM 99 O PRO A 13 12.530 15.060 -18.330 1.00 0.00 O ATOM 100 CB PRO A 13 11.800 18.370 -18.290 1.00 0.00 C ATOM 101 CG PRO A 13 12.270 19.280 -17.160 1.00 0.00 C ATOM 102 CD PRO A 13 11.390 18.880 -15.970 1.00 0.00 C ATOM 0 HA PRO A 13 10.605 16.560 -18.129 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.590 18.208 -19.023 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.955 18.805 -18.823 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.328 19.132 -16.942 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.142 20.332 -17.415 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.934 18.966 -15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.514 19.524 -15.892 1.00 0.00 H new ATOM 103 N GLU A 14 13.420 16.160 -16.580 1.00 0.00 N ATOM 104 CA GLU A 14 14.550 15.240 -16.330 1.00 0.00 C ATOM 105 C GLU A 14 14.080 13.890 -15.770 1.00 0.00 C ATOM 106 O GLU A 14 14.850 12.930 -15.750 1.00 0.00 O ATOM 107 CB GLU A 14 15.600 15.850 -15.390 1.00 0.00 C ATOM 108 CG GLU A 14 15.790 17.360 -15.630 1.00 0.00 C ATOM 109 CD GLU A 14 17.250 17.780 -15.650 1.00 0.00 C ATOM 110 OE1 GLU A 14 17.890 17.550 -16.690 1.00 0.00 O ATOM 111 OE2 GLU A 14 17.690 18.400 -14.660 1.00 0.00 O ATOM 0 H GLU A 14 13.357 16.912 -15.893 1.00 0.00 H new ATOM 0 HA GLU A 14 15.015 15.071 -17.301 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.299 15.683 -14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.552 15.339 -15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.326 17.632 -16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.269 17.915 -14.849 1.00 0.00 H new ATOM 113 N ALA A 15 12.780 13.790 -15.480 1.00 0.00 N ATOM 114 CA ALA A 15 12.120 12.550 -15.010 1.00 0.00 C ATOM 115 C ALA A 15 12.000 11.500 -16.110 1.00 0.00 C ATOM 116 O ALA A 15 12.650 10.450 -16.050 1.00 0.00 O ATOM 117 CB ALA A 15 10.750 12.830 -14.390 1.00 0.00 C ATOM 0 H ALA A 15 12.138 14.578 -15.564 1.00 0.00 H new ATOM 0 HA ALA A 15 12.768 12.143 -14.234 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.302 11.893 -14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.867 13.498 -13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.104 13.299 -15.132 1.00 0.00 H new ATOM 119 N THR A 16 11.350 11.890 -17.210 1.00 0.00 N ATOM 120 CA THR A 16 11.240 11.040 -18.410 1.00 0.00 C ATOM 121 C THR A 16 12.600 10.610 -18.970 1.00 0.00 C ATOM 122 O THR A 16 12.690 9.590 -19.640 1.00 0.00 O ATOM 123 CB THR A 16 10.320 11.680 -19.470 1.00 0.00 C ATOM 124 OG1 THR A 16 9.360 10.680 -19.820 1.00 0.00 O ATOM 125 CG2 THR A 16 10.980 12.220 -20.750 1.00 0.00 C ATOM 0 H THR A 16 10.887 12.795 -17.299 1.00 0.00 H new ATOM 0 HA THR A 16 10.762 10.111 -18.098 1.00 0.00 H new ATOM 0 HB THR A 16 9.904 12.577 -19.012 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.078 10.808 -20.750 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.216 12.641 -21.404 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.701 12.995 -20.489 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.492 11.408 -21.266 1.00 0.00 H new ATOM 128 N ASP A 17 13.640 11.390 -18.680 1.00 0.00 N ATOM 129 CA ASP A 17 15.020 11.130 -19.100 1.00 0.00 C ATOM 130 C ASP A 17 15.440 9.690 -18.790 1.00 0.00 C ATOM 131 O ASP A 17 15.680 8.910 -19.710 1.00 0.00 O ATOM 132 CB ASP A 17 15.950 12.110 -18.380 1.00 0.00 C ATOM 133 CG ASP A 17 17.330 12.210 -19.010 1.00 0.00 C ATOM 134 OD1 ASP A 17 17.450 13.060 -19.920 1.00 0.00 O ATOM 135 OD2 ASP A 17 18.220 11.470 -18.550 1.00 0.00 O ATOM 0 H ASP A 17 13.545 12.245 -18.131 1.00 0.00 H new ATOM 0 HA ASP A 17 15.087 11.268 -20.179 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.490 13.098 -18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.055 11.801 -17.340 1.00 0.00 H new ATOM 137 N THR A 18 15.310 9.300 -17.530 1.00 0.00 N ATOM 138 CA THR A 18 15.600 7.920 -17.120 1.00 0.00 C ATOM 139 C THR A 18 14.620 6.910 -17.720 1.00 0.00 C ATOM 140 O THR A 18 15.050 5.860 -18.210 1.00 0.00 O ATOM 141 CB THR A 18 15.650 7.830 -15.600 1.00 0.00 C ATOM 142 OG1 THR A 18 16.710 8.670 -15.150 1.00 0.00 O ATOM 143 CG2 THR A 18 15.910 6.420 -15.110 1.00 0.00 C ATOM 0 H THR A 18 15.007 9.911 -16.772 1.00 0.00 H new ATOM 0 HA THR A 18 16.579 7.652 -17.517 1.00 0.00 H new ATOM 0 HB THR A 18 14.682 8.140 -15.207 1.00 0.00 H new ATOM 0 HG1 THR A 18 17.291 8.166 -14.543 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.936 6.412 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.115 5.761 -15.459 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.867 6.071 -15.498 1.00 0.00 H new ATOM 146 N LEU A 19 13.340 7.240 -17.720 1.00 0.00 N ATOM 147 CA LEU A 19 12.310 6.420 -18.390 1.00 0.00 C ATOM 148 C LEU A 19 12.630 6.100 -19.850 1.00 0.00 C ATOM 149 O LEU A 19 12.480 4.960 -20.280 1.00 0.00 O ATOM 150 CB LEU A 19 10.960 7.110 -18.320 1.00 0.00 C ATOM 151 CG LEU A 19 10.500 7.190 -16.870 1.00 0.00 C ATOM 152 CD1 LEU A 19 9.200 7.990 -16.800 1.00 0.00 C ATOM 153 CD2 LEU A 19 10.300 5.780 -16.320 1.00 0.00 C ATOM 0 H LEU A 19 12.973 8.075 -17.263 1.00 0.00 H new ATOM 0 HA LEU A 19 12.290 5.473 -17.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.030 8.111 -18.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.229 6.561 -18.914 1.00 0.00 H new ATOM 0 HG LEU A 19 11.254 7.692 -16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.866 8.051 -15.764 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.370 8.995 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.436 7.496 -17.400 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.971 5.837 -15.282 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.545 5.262 -16.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.241 5.232 -16.372 1.00 0.00 H new ATOM 155 N ASN A 20 13.250 7.080 -20.490 1.00 0.00 N ATOM 156 CA ASN A 20 13.740 6.960 -21.870 1.00 0.00 C ATOM 157 C ASN A 20 14.880 5.970 -21.950 1.00 0.00 C ATOM 158 O ASN A 20 14.820 5.060 -22.740 1.00 0.00 O ATOM 159 CB ASN A 20 14.250 8.320 -22.340 1.00 0.00 C ATOM 160 CG ASN A 20 13.730 8.660 -23.720 1.00 0.00 C ATOM 161 OD1 ASN A 20 13.490 7.820 -24.590 1.00 0.00 O ATOM 162 ND2 ASN A 20 13.540 9.940 -23.930 1.00 0.00 N ATOM 0 H ASN A 20 13.432 7.991 -20.070 1.00 0.00 H new ATOM 0 HA ASN A 20 12.920 6.614 -22.499 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.940 9.090 -21.633 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.340 8.317 -22.351 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.185 10.262 -24.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.747 10.614 -23.193 1.00 0.00 H new ATOM 166 N LEU A 21 15.780 6.010 -20.970 1.00 0.00 N ATOM 167 CA LEU A 21 16.870 5.040 -20.890 1.00 0.00 C ATOM 168 C LEU A 21 16.360 3.620 -20.590 1.00 0.00 C ATOM 169 O LEU A 21 16.890 2.690 -21.160 1.00 0.00 O ATOM 170 CB LEU A 21 17.830 5.490 -19.800 1.00 0.00 C ATOM 171 CG LEU A 21 18.360 6.910 -19.920 1.00 0.00 C ATOM 172 CD1 LEU A 21 19.040 7.250 -18.600 1.00 0.00 C ATOM 173 CD2 LEU A 21 19.300 7.070 -21.120 1.00 0.00 C ATOM 0 H LEU A 21 15.776 6.703 -20.221 1.00 0.00 H new ATOM 0 HA LEU A 21 17.373 4.999 -21.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.327 5.392 -18.838 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.679 4.807 -19.787 1.00 0.00 H new ATOM 0 HG LEU A 21 17.543 7.607 -20.107 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.435 8.265 -18.645 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.316 7.179 -17.789 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.856 6.550 -18.420 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.656 8.099 -21.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.150 6.397 -21.008 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.763 6.828 -22.037 1.00 0.00 H new ATOM 175 N ILE A 22 15.320 3.470 -19.770 1.00 0.00 N ATOM 176 CA ILE A 22 14.650 2.170 -19.550 1.00 0.00 C ATOM 177 C ILE A 22 13.980 1.650 -20.840 1.00 0.00 C ATOM 178 O ILE A 22 14.100 0.480 -21.180 1.00 0.00 O ATOM 179 CB ILE A 22 13.670 2.270 -18.360 1.00 0.00 C ATOM 180 CG1 ILE A 22 14.500 2.330 -17.080 1.00 0.00 C ATOM 181 CG2 ILE A 22 12.650 1.130 -18.260 1.00 0.00 C ATOM 182 CD1 ILE A 22 14.200 3.610 -16.310 1.00 0.00 C ATOM 0 H ILE A 22 14.912 4.238 -19.237 1.00 0.00 H new ATOM 0 HA ILE A 22 15.403 1.427 -19.288 1.00 0.00 H new ATOM 0 HB ILE A 22 13.072 3.168 -18.516 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.281 1.463 -16.456 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.561 2.286 -17.325 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.008 1.291 -17.394 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.041 1.107 -19.163 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.175 0.181 -18.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 14.800 3.637 -15.400 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.443 4.473 -16.930 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.142 3.637 -16.048 1.00 0.00 H new ATOM 184 N ALA A 23 13.320 2.570 -21.540 1.00 0.00 N ATOM 185 CA ALA A 23 12.620 2.280 -22.810 1.00 0.00 C ATOM 186 C ALA A 23 13.590 1.990 -23.970 1.00 0.00 C ATOM 187 O ALA A 23 13.490 0.960 -24.620 1.00 0.00 O ATOM 188 CB ALA A 23 11.690 3.450 -23.160 1.00 0.00 C ATOM 0 H ALA A 23 13.250 3.545 -21.249 1.00 0.00 H new ATOM 0 HA ALA A 23 12.034 1.373 -22.665 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.174 3.237 -24.096 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.958 3.583 -22.364 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.277 4.362 -23.269 1.00 0.00 H new ATOM 190 N SER A 24 14.610 2.850 -24.090 1.00 0.00 N ATOM 191 CA SER A 24 15.730 2.750 -25.050 1.00 0.00 C ATOM 192 C SER A 24 16.710 1.630 -24.660 1.00 0.00 C ATOM 193 O SER A 24 17.570 1.230 -25.450 1.00 0.00 O ATOM 194 CB SER A 24 16.470 4.090 -25.080 1.00 0.00 C ATOM 195 OG SER A 24 17.520 4.130 -26.040 1.00 0.00 O ATOM 0 H SER A 24 14.685 3.675 -23.495 1.00 0.00 H new ATOM 0 HA SER A 24 15.326 2.511 -26.034 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.758 4.886 -25.297 1.00 0.00 H new ATOM 0 HB3 SER A 24 16.882 4.292 -24.091 1.00 0.00 H new ATOM 0 HG SER A 24 18.354 3.827 -25.625 1.00 0.00 H new ATOM 198 N ASP A 25 16.560 1.110 -23.440 1.00 0.00 N ATOM 199 CA ASP A 25 17.430 0.070 -22.840 1.00 0.00 C ATOM 200 C ASP A 25 18.910 0.520 -22.880 1.00 0.00 C ATOM 201 O ASP A 25 19.830 -0.270 -23.070 1.00 0.00 O ATOM 202 CB ASP A 25 17.160 -1.240 -23.600 1.00 0.00 C ATOM 203 CG ASP A 25 17.160 -2.480 -22.710 1.00 0.00 C ATOM 204 OD1 ASP A 25 16.910 -2.330 -21.490 1.00 0.00 O ATOM 205 OD2 ASP A 25 17.340 -3.570 -23.290 1.00 0.00 O ATOM 0 H ASP A 25 15.809 1.403 -22.815 1.00 0.00 H new ATOM 0 HA ASP A 25 17.208 -0.091 -21.785 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.196 -1.165 -24.103 1.00 0.00 H new ATOM 0 HB3 ASP A 25 17.916 -1.361 -24.376 1.00 0.00 H new ATOM 207 N GLY A 26 19.070 1.800 -22.590 1.00 0.00 N ATOM 208 CA GLY A 26 20.360 2.510 -22.620 1.00 0.00 C ATOM 209 C GLY A 26 20.760 3.120 -23.970 1.00 0.00 C ATOM 210 O GLY A 26 19.940 3.210 -24.880 1.00 0.00 O ATOM 0 H GLY A 26 18.291 2.400 -22.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.331 3.308 -21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.142 1.816 -22.311 1.00 0.00 H new ATOM 212 N PRO A 27 22.020 3.590 -24.040 1.00 0.00 N ATOM 213 CA PRO A 27 23.000 3.590 -22.940 1.00 0.00 C ATOM 214 C PRO A 27 22.690 4.660 -21.900 1.00 0.00 C ATOM 215 O PRO A 27 22.080 5.690 -22.190 1.00 0.00 O ATOM 216 CB PRO A 27 24.350 3.810 -23.620 1.00 0.00 C ATOM 217 CG PRO A 27 24.010 4.600 -24.880 1.00 0.00 C ATOM 218 CD PRO A 27 22.600 4.170 -25.270 1.00 0.00 C ATOM 0 HA PRO A 27 22.983 2.656 -22.378 1.00 0.00 H new ATOM 0 HB2 PRO A 27 25.035 4.362 -22.976 1.00 0.00 H new ATOM 0 HB3 PRO A 27 24.833 2.863 -23.862 1.00 0.00 H new ATOM 0 HG2 PRO A 27 24.054 5.673 -24.693 1.00 0.00 H new ATOM 0 HG3 PRO A 27 24.720 4.386 -25.679 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.012 5.018 -25.621 1.00 0.00 H new ATOM 0 HD3 PRO A 27 22.620 3.440 -26.079 1.00 0.00 H new ATOM 219 N PHE A 28 22.880 4.260 -20.650 1.00 0.00 N ATOM 220 CA PHE A 28 22.580 5.130 -19.490 1.00 0.00 C ATOM 221 C PHE A 28 23.820 5.960 -19.090 1.00 0.00 C ATOM 222 O PHE A 28 24.940 5.430 -19.130 1.00 0.00 O ATOM 223 CB PHE A 28 22.110 4.310 -18.290 1.00 0.00 C ATOM 224 CG PHE A 28 20.830 3.480 -18.480 1.00 0.00 C ATOM 225 CD1 PHE A 28 20.830 2.330 -19.300 1.00 0.00 C ATOM 226 CD2 PHE A 28 19.690 3.790 -17.690 1.00 0.00 C ATOM 227 CE1 PHE A 28 19.690 1.510 -19.370 1.00 0.00 C ATOM 228 CE2 PHE A 28 18.540 2.970 -17.770 1.00 0.00 C ATOM 229 CZ PHE A 28 18.540 1.840 -18.620 1.00 0.00 C ATOM 0 H PHE A 28 23.241 3.339 -20.399 1.00 0.00 H new ATOM 0 HA PHE A 28 21.778 5.805 -19.790 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.915 3.633 -18.004 1.00 0.00 H new ATOM 0 HB3 PHE A 28 21.953 4.991 -17.453 1.00 0.00 H new ATOM 0 HD1 PHE A 28 21.709 2.080 -19.875 1.00 0.00 H new ATOM 0 HD2 PHE A 28 19.702 4.647 -17.032 1.00 0.00 H new ATOM 0 HE1 PHE A 28 19.694 0.630 -19.996 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.664 3.206 -17.183 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.655 1.226 -18.696 1.00 0.00 H new ATOM 231 N PRO A 29 23.630 7.260 -18.820 1.00 0.00 N ATOM 232 CA PRO A 29 24.720 8.170 -18.420 1.00 0.00 C ATOM 233 C PRO A 29 25.200 7.900 -16.990 1.00 0.00 C ATOM 234 O PRO A 29 26.340 7.490 -16.780 1.00 0.00 O ATOM 235 CB PRO A 29 24.140 9.580 -18.620 1.00 0.00 C ATOM 236 CG PRO A 29 22.640 9.410 -18.430 1.00 0.00 C ATOM 237 CD PRO A 29 22.370 8.000 -18.980 1.00 0.00 C ATOM 0 HA PRO A 29 25.621 8.031 -19.017 1.00 0.00 H new ATOM 0 HB2 PRO A 29 24.553 10.284 -17.898 1.00 0.00 H new ATOM 0 HB3 PRO A 29 24.372 9.967 -19.612 1.00 0.00 H new ATOM 0 HG2 PRO A 29 22.356 9.494 -17.381 1.00 0.00 H new ATOM 0 HG3 PRO A 29 22.077 10.168 -18.974 1.00 0.00 H new ATOM 0 HD2 PRO A 29 21.560 7.516 -18.434 1.00 0.00 H new ATOM 0 HD3 PRO A 29 22.070 8.039 -20.027 1.00 0.00 H new ATOM 238 N TYR A 30 24.290 8.060 -16.020 1.00 0.00 N ATOM 239 CA TYR A 30 24.570 7.770 -14.600 1.00 0.00 C ATOM 240 C TYR A 30 24.860 6.280 -14.400 1.00 0.00 C ATOM 241 O TYR A 30 24.170 5.460 -14.990 1.00 0.00 O ATOM 242 CB TYR A 30 23.370 8.200 -13.750 1.00 0.00 C ATOM 243 CG TYR A 30 23.470 9.640 -13.240 1.00 0.00 C ATOM 244 CD1 TYR A 30 24.310 10.590 -13.870 1.00 0.00 C ATOM 245 CD2 TYR A 30 22.730 9.970 -12.080 1.00 0.00 C ATOM 246 CE1 TYR A 30 24.430 11.880 -13.330 1.00 0.00 C ATOM 247 CE2 TYR A 30 22.840 11.260 -11.540 1.00 0.00 C ATOM 248 CZ TYR A 30 23.670 12.210 -12.180 1.00 0.00 C ATOM 249 OH TYR A 30 23.660 13.500 -11.770 1.00 0.00 O ATOM 0 H TYR A 30 23.341 8.393 -16.192 1.00 0.00 H new ATOM 0 HA TYR A 30 25.453 8.329 -14.288 1.00 0.00 H new ATOM 0 HB2 TYR A 30 22.460 8.094 -14.340 1.00 0.00 H new ATOM 0 HB3 TYR A 30 23.278 7.526 -12.898 1.00 0.00 H new ATOM 0 HD1 TYR A 30 24.856 10.323 -14.763 1.00 0.00 H new ATOM 0 HD2 TYR A 30 22.087 9.237 -11.615 1.00 0.00 H new ATOM 0 HE1 TYR A 30 25.089 12.607 -13.782 1.00 0.00 H new ATOM 0 HE2 TYR A 30 22.297 11.525 -10.645 1.00 0.00 H new ATOM 0 HH TYR A 30 23.099 13.585 -10.971 1.00 0.00 H new ATOM 252 N SER A 31 25.740 6.000 -13.440 1.00 0.00 N ATOM 253 CA SER A 31 26.060 4.620 -13.010 1.00 0.00 C ATOM 254 C SER A 31 24.860 3.900 -12.350 1.00 0.00 C ATOM 255 O SER A 31 24.820 2.680 -12.210 1.00 0.00 O ATOM 256 CB SER A 31 27.260 4.640 -12.060 1.00 0.00 C ATOM 257 OG SER A 31 27.550 3.330 -11.570 1.00 0.00 O ATOM 0 H SER A 31 26.257 6.717 -12.932 1.00 0.00 H new ATOM 0 HA SER A 31 26.306 4.051 -13.907 1.00 0.00 H new ATOM 0 HB2 SER A 31 28.132 5.039 -12.579 1.00 0.00 H new ATOM 0 HB3 SER A 31 27.054 5.307 -11.223 1.00 0.00 H new ATOM 0 HG SER A 31 28.321 3.370 -10.967 1.00 0.00 H new ATOM 260 N GLN A 32 23.840 4.690 -12.010 1.00 0.00 N ATOM 261 CA GLN A 32 22.610 4.180 -11.400 1.00 0.00 C ATOM 262 C GLN A 32 21.650 3.600 -12.430 1.00 0.00 C ATOM 263 O GLN A 32 20.680 4.230 -12.870 1.00 0.00 O ATOM 264 CB GLN A 32 21.930 5.270 -10.600 1.00 0.00 C ATOM 265 CG GLN A 32 22.170 4.980 -9.120 1.00 0.00 C ATOM 266 CD GLN A 32 22.090 6.280 -8.340 1.00 0.00 C ATOM 267 OE1 GLN A 32 22.080 7.360 -8.890 1.00 0.00 O ATOM 268 NE2 GLN A 32 22.010 6.200 -7.030 1.00 0.00 N ATOM 0 H GLN A 32 23.843 5.700 -12.149 1.00 0.00 H new ATOM 0 HA GLN A 32 22.894 3.367 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.331 6.247 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.862 5.293 -10.817 1.00 0.00 H new ATOM 0 HG2 GLN A 32 21.427 4.273 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.147 4.518 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 32 22.019 5.288 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 32 21.939 7.050 -6.471 1.00 0.00 H new ATOM 272 N ASP A 33 22.040 2.390 -12.820 1.00 0.00 N ATOM 273 CA ASP A 33 21.330 1.580 -13.800 1.00 0.00 C ATOM 274 C ASP A 33 21.960 0.210 -14.020 1.00 0.00 C ATOM 275 O ASP A 33 23.170 0.100 -14.150 1.00 0.00 O ATOM 276 CB ASP A 33 21.290 2.310 -15.150 1.00 0.00 C ATOM 277 CG ASP A 33 22.600 2.290 -15.930 1.00 0.00 C ATOM 278 OD1 ASP A 33 23.480 3.100 -15.600 1.00 0.00 O ATOM 279 OD2 ASP A 33 22.640 1.490 -16.890 1.00 0.00 O ATOM 0 H ASP A 33 22.877 1.937 -12.454 1.00 0.00 H new ATOM 0 HA ASP A 33 20.328 1.428 -13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 33 20.510 1.862 -15.766 1.00 0.00 H new ATOM 0 HB3 ASP A 33 21.003 3.347 -14.977 1.00 0.00 H new ATOM 281 N GLY A 34 21.070 -0.730 -14.330 1.00 0.00 N ATOM 282 CA GLY A 34 21.440 -2.130 -14.630 1.00 0.00 C ATOM 283 C GLY A 34 21.630 -2.940 -13.350 1.00 0.00 C ATOM 284 O GLY A 34 22.460 -3.850 -13.280 1.00 0.00 O ATOM 0 H GLY A 34 20.067 -0.552 -14.383 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.664 -2.590 -15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.360 -2.148 -15.214 1.00 0.00 H new ATOM 286 N VAL A 35 20.850 -2.560 -12.340 1.00 0.00 N ATOM 287 CA VAL A 35 20.830 -3.210 -11.020 1.00 0.00 C ATOM 288 C VAL A 35 19.380 -3.540 -10.620 1.00 0.00 C ATOM 289 O VAL A 35 18.480 -2.760 -10.930 1.00 0.00 O ATOM 290 CB VAL A 35 21.510 -2.330 -9.940 1.00 0.00 C ATOM 291 CG1 VAL A 35 22.990 -2.130 -10.250 1.00 0.00 C ATOM 292 CG2 VAL A 35 20.850 -0.950 -9.750 1.00 0.00 C ATOM 0 H VAL A 35 20.200 -1.777 -12.412 1.00 0.00 H new ATOM 0 HA VAL A 35 21.400 -4.136 -11.089 1.00 0.00 H new ATOM 0 HB VAL A 35 21.386 -2.881 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.443 -1.509 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.490 -3.098 -10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.096 -1.640 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 35 21.383 -0.395 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 35 20.889 -0.396 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.811 -1.082 -9.450 1.00 0.00 H new ATOM 294 N VAL A 36 19.240 -4.640 -9.900 1.00 0.00 N ATOM 295 CA VAL A 36 17.970 -5.120 -9.330 1.00 0.00 C ATOM 296 C VAL A 36 17.730 -4.470 -7.960 1.00 0.00 C ATOM 297 O VAL A 36 18.650 -4.220 -7.190 1.00 0.00 O ATOM 298 CB VAL A 36 17.950 -6.670 -9.280 1.00 0.00 C ATOM 299 CG1 VAL A 36 16.940 -7.310 -8.320 1.00 0.00 C ATOM 300 CG2 VAL A 36 17.670 -7.240 -10.670 1.00 0.00 C ATOM 0 H VAL A 36 20.027 -5.251 -9.683 1.00 0.00 H new ATOM 0 HA VAL A 36 17.142 -4.821 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 36 18.941 -6.920 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.023 -8.395 -8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.148 -6.982 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.931 -7.008 -8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 36 17.659 -8.329 -10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 36 16.702 -6.882 -11.022 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.449 -6.916 -11.360 1.00 0.00 H new ATOM 302 N PHE A 37 16.450 -4.370 -7.640 1.00 0.00 N ATOM 303 CA PHE A 37 15.980 -3.870 -6.340 1.00 0.00 C ATOM 304 C PHE A 37 14.950 -4.860 -5.770 1.00 0.00 C ATOM 305 O PHE A 37 13.770 -4.750 -6.070 1.00 0.00 O ATOM 306 CB PHE A 37 15.360 -2.490 -6.570 1.00 0.00 C ATOM 307 CG PHE A 37 14.740 -1.850 -5.320 1.00 0.00 C ATOM 308 CD1 PHE A 37 15.530 -1.600 -4.180 1.00 0.00 C ATOM 309 CD2 PHE A 37 13.360 -1.550 -5.330 1.00 0.00 C ATOM 310 CE1 PHE A 37 14.920 -1.050 -3.030 1.00 0.00 C ATOM 311 CE2 PHE A 37 12.760 -0.970 -4.200 1.00 0.00 C ATOM 312 CZ PHE A 37 13.540 -0.740 -3.040 1.00 0.00 C ATOM 0 H PHE A 37 15.695 -4.633 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 37 16.796 -3.781 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 37 16.128 -1.822 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.591 -2.575 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 37 16.586 -1.825 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.766 -1.766 -6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.508 -0.866 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.714 -0.702 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.077 -0.325 -2.157 1.00 0.00 H new ATOM 314 N GLN A 38 15.360 -5.810 -4.940 1.00 0.00 N ATOM 315 CA GLN A 38 14.410 -6.790 -4.340 1.00 0.00 C ATOM 316 C GLN A 38 13.510 -6.140 -3.270 1.00 0.00 C ATOM 317 O GLN A 38 13.490 -6.560 -2.120 1.00 0.00 O ATOM 318 CB GLN A 38 15.190 -7.980 -3.780 1.00 0.00 C ATOM 319 CG GLN A 38 14.260 -9.190 -3.580 1.00 0.00 C ATOM 320 CD GLN A 38 13.920 -9.550 -2.130 1.00 0.00 C ATOM 321 OE1 GLN A 38 14.520 -9.130 -1.150 1.00 0.00 O ATOM 322 NE2 GLN A 38 12.990 -10.460 -1.980 1.00 0.00 N ATOM 0 H GLN A 38 16.332 -5.938 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 38 13.740 -7.147 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 38 15.999 -8.245 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.649 -7.706 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.329 -8.998 -4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.722 -10.059 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.487 -10.814 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.769 -10.815 -1.050 1.00 0.00 H new ATOM 326 N ASN A 39 12.840 -5.060 -3.670 1.00 0.00 N ATOM 327 CA ASN A 39 11.970 -4.200 -2.860 1.00 0.00 C ATOM 328 C ASN A 39 12.370 -4.250 -1.380 1.00 0.00 C ATOM 329 O ASN A 39 11.620 -4.720 -0.530 1.00 0.00 O ATOM 330 CB ASN A 39 10.500 -4.570 -3.070 1.00 0.00 C ATOM 331 CG ASN A 39 10.130 -5.940 -2.490 1.00 0.00 C ATOM 332 OD1 ASN A 39 10.770 -6.960 -2.700 1.00 0.00 O ATOM 333 ND2 ASN A 39 8.960 -6.040 -1.910 1.00 0.00 N ATOM 0 H ASN A 39 12.893 -4.738 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 39 12.098 -3.169 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.871 -3.807 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.280 -4.564 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.600 -6.956 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.409 -5.202 -1.725 1.00 0.00 H new ATOM 337 N ARG A 40 13.640 -3.930 -1.130 1.00 0.00 N ATOM 338 CA ARG A 40 14.210 -4.100 0.230 1.00 0.00 C ATOM 339 C ARG A 40 13.410 -3.330 1.290 1.00 0.00 C ATOM 340 O ARG A 40 13.220 -3.780 2.410 1.00 0.00 O ATOM 341 CB ARG A 40 15.690 -3.730 0.290 1.00 0.00 C ATOM 342 CG ARG A 40 16.560 -4.620 -0.610 1.00 0.00 C ATOM 343 CD ARG A 40 16.710 -4.020 -2.020 1.00 0.00 C ATOM 344 NE ARG A 40 18.090 -3.540 -2.230 1.00 0.00 N ATOM 345 CZ ARG A 40 18.660 -2.430 -1.760 1.00 0.00 C ATOM 346 NH1 ARG A 40 18.010 -1.510 -1.050 1.00 0.00 N ATOM 347 NH2 ARG A 40 19.940 -2.210 -2.030 1.00 0.00 N ATOM 0 H ARG A 40 14.289 -3.560 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 40 14.130 -5.162 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.812 -2.689 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.039 -3.810 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 40 17.545 -4.743 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 16.115 -5.613 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.461 -4.771 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.008 -3.196 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 40 18.684 -4.134 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.020 -1.635 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.502 -0.681 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.467 -2.883 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.397 -1.368 -1.681 1.00 0.00 H new ATOM 354 N GLU A 41 12.760 -2.280 0.790 1.00 0.00 N ATOM 355 CA GLU A 41 11.810 -1.480 1.570 1.00 0.00 C ATOM 356 C GLU A 41 10.420 -2.110 1.750 1.00 0.00 C ATOM 357 O GLU A 41 9.640 -1.590 2.530 1.00 0.00 O ATOM 358 CB GLU A 41 11.690 -0.100 0.950 1.00 0.00 C ATOM 359 CG GLU A 41 12.390 0.870 1.900 1.00 0.00 C ATOM 360 CD GLU A 41 12.090 2.290 1.460 1.00 0.00 C ATOM 361 OE1 GLU A 41 12.550 2.610 0.340 1.00 0.00 O ATOM 362 OE2 GLU A 41 11.270 2.930 2.150 1.00 0.00 O ATOM 0 H GLU A 41 12.876 -1.957 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 41 12.221 -1.424 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.153 -0.077 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.644 0.175 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.046 0.711 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.465 0.693 1.895 1.00 0.00 H new ATOM 364 N SER A 42 10.110 -3.160 0.980 1.00 0.00 N ATOM 365 CA SER A 42 8.810 -3.870 0.990 1.00 0.00 C ATOM 366 C SER A 42 7.620 -2.890 0.990 1.00 0.00 C ATOM 367 O SER A 42 6.650 -2.990 1.740 1.00 0.00 O ATOM 368 CB SER A 42 8.790 -4.840 2.170 1.00 0.00 C ATOM 369 OG SER A 42 7.590 -5.630 2.190 1.00 0.00 O ATOM 0 H SER A 42 10.770 -3.556 0.311 1.00 0.00 H new ATOM 0 HA SER A 42 8.699 -4.446 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.657 -5.498 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.873 -4.281 3.102 1.00 0.00 H new ATOM 0 HG SER A 42 6.809 -5.041 2.128 1.00 0.00 H new ATOM 372 N VAL A 43 7.780 -1.860 0.180 1.00 0.00 N ATOM 373 CA VAL A 43 6.770 -0.790 0.060 1.00 0.00 C ATOM 374 C VAL A 43 6.040 -0.900 -1.290 1.00 0.00 C ATOM 375 O VAL A 43 5.050 -0.240 -1.570 1.00 0.00 O ATOM 376 CB VAL A 43 7.430 0.580 0.330 1.00 0.00 C ATOM 377 CG1 VAL A 43 6.570 1.790 -0.050 1.00 0.00 C ATOM 378 CG2 VAL A 43 7.740 0.740 1.820 1.00 0.00 C ATOM 0 H VAL A 43 8.599 -1.729 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 43 5.994 -0.901 0.817 1.00 0.00 H new ATOM 0 HB VAL A 43 8.323 0.572 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.114 2.708 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.342 1.754 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.641 1.770 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.205 1.711 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.815 0.673 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.421 -0.050 2.137 1.00 0.00 H new ATOM 380 N LEU A 44 6.620 -1.690 -2.170 1.00 0.00 N ATOM 381 CA LEU A 44 6.180 -1.770 -3.560 1.00 0.00 C ATOM 382 C LEU A 44 5.410 -3.080 -3.750 1.00 0.00 C ATOM 383 O LEU A 44 5.700 -4.030 -3.010 1.00 0.00 O ATOM 384 CB LEU A 44 7.450 -1.720 -4.410 1.00 0.00 C ATOM 385 CG LEU A 44 8.330 -0.450 -4.370 1.00 0.00 C ATOM 386 CD1 LEU A 44 8.220 0.280 -5.680 1.00 0.00 C ATOM 387 CD2 LEU A 44 7.970 0.610 -3.350 1.00 0.00 C ATOM 0 H LEU A 44 7.409 -2.297 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 44 5.514 -0.957 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.076 -2.563 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.158 -1.885 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 44 9.311 -0.855 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.841 1.175 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.557 -0.369 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.182 0.564 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.667 1.444 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.956 0.965 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.027 0.185 -2.348 1.00 0.00 H new ATOM 389 N PRO A 45 4.410 -3.130 -4.650 1.00 0.00 N ATOM 390 CA PRO A 45 3.590 -4.330 -4.880 1.00 0.00 C ATOM 391 C PRO A 45 4.360 -5.410 -5.650 1.00 0.00 C ATOM 392 O PRO A 45 3.960 -5.900 -6.710 1.00 0.00 O ATOM 393 CB PRO A 45 2.360 -3.790 -5.620 1.00 0.00 C ATOM 394 CG PRO A 45 2.910 -2.610 -6.430 1.00 0.00 C ATOM 395 CD PRO A 45 3.970 -2.010 -5.510 1.00 0.00 C ATOM 0 HA PRO A 45 3.305 -4.844 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.918 -4.548 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.583 -3.471 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.339 -2.938 -7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.129 -1.888 -6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.803 -1.601 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.560 -1.194 -4.916 1.00 0.00 H new ATOM 396 N THR A 46 5.490 -5.780 -5.060 1.00 0.00 N ATOM 397 CA THR A 46 6.390 -6.850 -5.540 1.00 0.00 C ATOM 398 C THR A 46 5.730 -8.200 -5.200 1.00 0.00 C ATOM 399 O THR A 46 4.580 -8.230 -4.770 1.00 0.00 O ATOM 400 CB THR A 46 7.740 -6.670 -4.830 1.00 0.00 C ATOM 401 OG1 THR A 46 8.030 -5.260 -4.770 1.00 0.00 O ATOM 402 CG2 THR A 46 8.910 -7.410 -5.470 1.00 0.00 C ATOM 0 H THR A 46 5.826 -5.336 -4.206 1.00 0.00 H new ATOM 0 HA THR A 46 6.559 -6.812 -6.616 1.00 0.00 H new ATOM 0 HB THR A 46 7.635 -7.113 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.068 -4.895 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.818 -7.221 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.703 -8.480 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.047 -7.059 -6.493 1.00 0.00 H new ATOM 405 N GLN A 47 6.530 -9.260 -5.280 1.00 0.00 N ATOM 406 CA GLN A 47 6.140 -10.680 -5.090 1.00 0.00 C ATOM 407 C GLN A 47 7.270 -11.610 -5.540 1.00 0.00 C ATOM 408 O GLN A 47 7.520 -12.650 -4.920 1.00 0.00 O ATOM 409 CB GLN A 47 4.810 -10.960 -5.810 1.00 0.00 C ATOM 410 CG GLN A 47 4.440 -12.410 -6.130 1.00 0.00 C ATOM 411 CD GLN A 47 5.090 -12.840 -7.450 1.00 0.00 C ATOM 412 OE1 GLN A 47 5.190 -12.110 -8.430 1.00 0.00 O ATOM 413 NE2 GLN A 47 5.650 -14.020 -7.460 1.00 0.00 N ATOM 0 H GLN A 47 7.523 -9.161 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 47 5.978 -10.879 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.009 -10.541 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.819 -10.406 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.770 -13.064 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.357 -12.510 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.569 -14.630 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.168 -14.332 -8.281 1.00 0.00 H new ATOM 417 N SER A 48 7.930 -11.240 -6.630 1.00 0.00 N ATOM 418 CA SER A 48 9.020 -12.020 -7.220 1.00 0.00 C ATOM 419 C SER A 48 10.360 -11.290 -7.140 1.00 0.00 C ATOM 420 O SER A 48 10.440 -10.090 -6.850 1.00 0.00 O ATOM 421 CB SER A 48 8.680 -12.360 -8.680 1.00 0.00 C ATOM 422 OG SER A 48 8.370 -11.170 -9.390 1.00 0.00 O ATOM 0 H SER A 48 7.724 -10.380 -7.138 1.00 0.00 H new ATOM 0 HA SER A 48 9.123 -12.939 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.522 -12.867 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.834 -13.047 -8.716 1.00 0.00 H new ATOM 0 HG SER A 48 8.156 -11.391 -10.320 1.00 0.00 H new ATOM 425 N TYR A 49 11.400 -12.100 -7.270 1.00 0.00 N ATOM 426 CA TYR A 49 12.800 -11.630 -7.210 1.00 0.00 C ATOM 427 C TYR A 49 13.280 -11.220 -8.610 1.00 0.00 C ATOM 428 O TYR A 49 12.890 -11.810 -9.610 1.00 0.00 O ATOM 429 CB TYR A 49 13.680 -12.740 -6.630 1.00 0.00 C ATOM 430 CG TYR A 49 15.150 -12.360 -6.470 1.00 0.00 C ATOM 431 CD1 TYR A 49 15.510 -11.050 -6.090 1.00 0.00 C ATOM 432 CD2 TYR A 49 16.130 -13.350 -6.700 1.00 0.00 C ATOM 433 CE1 TYR A 49 16.870 -10.700 -5.960 1.00 0.00 C ATOM 434 CE2 TYR A 49 17.500 -13.010 -6.570 1.00 0.00 C ATOM 435 CZ TYR A 49 17.840 -11.690 -6.200 1.00 0.00 C ATOM 436 OH TYR A 49 19.140 -11.340 -6.050 1.00 0.00 O ATOM 0 H TYR A 49 11.310 -13.105 -7.421 1.00 0.00 H new ATOM 0 HA TYR A 49 12.867 -10.755 -6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 49 13.284 -13.030 -5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.612 -13.616 -7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.743 -10.314 -5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 49 15.839 -14.354 -6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.159 -9.697 -5.683 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.269 -13.746 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 49 19.711 -12.113 -6.243 1.00 0.00 H new ATOM 439 N GLY A 50 14.030 -10.120 -8.630 1.00 0.00 N ATOM 440 CA GLY A 50 14.570 -9.530 -9.870 1.00 0.00 C ATOM 441 C GLY A 50 13.490 -8.830 -10.720 1.00 0.00 C ATOM 442 O GLY A 50 13.800 -8.280 -11.770 1.00 0.00 O ATOM 0 H GLY A 50 14.286 -9.605 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.348 -8.810 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.042 -10.313 -10.464 1.00 0.00 H new ATOM 444 N TYR A 51 12.310 -8.680 -10.130 1.00 0.00 N ATOM 445 CA TYR A 51 11.140 -8.010 -10.750 1.00 0.00 C ATOM 446 C TYR A 51 11.230 -6.480 -10.610 1.00 0.00 C ATOM 447 O TYR A 51 10.310 -5.760 -10.990 1.00 0.00 O ATOM 448 CB TYR A 51 9.890 -8.580 -10.050 1.00 0.00 C ATOM 449 CG TYR A 51 8.540 -8.190 -10.670 1.00 0.00 C ATOM 450 CD1 TYR A 51 8.030 -8.930 -11.770 1.00 0.00 C ATOM 451 CD2 TYR A 51 7.870 -7.040 -10.200 1.00 0.00 C ATOM 452 CE1 TYR A 51 6.880 -8.470 -12.430 1.00 0.00 C ATOM 453 CE2 TYR A 51 6.730 -6.570 -10.870 1.00 0.00 C ATOM 454 CZ TYR A 51 6.260 -7.280 -11.990 1.00 0.00 C ATOM 455 OH TYR A 51 5.270 -6.720 -12.740 1.00 0.00 O ATOM 0 H TYR A 51 12.121 -9.023 -9.188 1.00 0.00 H new ATOM 0 HA TYR A 51 11.100 -8.203 -11.822 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.965 -9.667 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.899 -8.254 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.521 -9.835 -12.094 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.234 -6.522 -9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.473 -9.020 -13.266 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.222 -5.679 -10.532 1.00 0.00 H new ATOM 0 HH TYR A 51 4.946 -5.907 -12.300 1.00 0.00 H new ATOM 458 N TYR A 52 12.360 -5.980 -10.150 1.00 0.00 N ATOM 459 CA TYR A 52 12.540 -4.550 -9.850 1.00 0.00 C ATOM 460 C TYR A 52 13.980 -4.170 -10.150 1.00 0.00 C ATOM 461 O TYR A 52 14.890 -4.950 -9.880 1.00 0.00 O ATOM 462 CB TYR A 52 12.320 -4.290 -8.370 1.00 0.00 C ATOM 463 CG TYR A 52 10.890 -4.120 -7.900 1.00 0.00 C ATOM 464 CD1 TYR A 52 9.980 -5.170 -8.000 1.00 0.00 C ATOM 465 CD2 TYR A 52 10.510 -2.820 -7.520 1.00 0.00 C ATOM 466 CE1 TYR A 52 8.620 -4.900 -7.770 1.00 0.00 C ATOM 467 CE2 TYR A 52 9.160 -2.580 -7.270 1.00 0.00 C ATOM 468 CZ TYR A 52 8.210 -3.610 -7.390 1.00 0.00 C ATOM 469 OH TYR A 52 7.000 -3.450 -6.800 1.00 0.00 O ATOM 0 H TYR A 52 13.189 -6.546 -9.969 1.00 0.00 H new ATOM 0 HA TYR A 52 11.831 -3.977 -10.447 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.762 -5.116 -7.813 1.00 0.00 H new ATOM 0 HB3 TYR A 52 12.873 -3.391 -8.100 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.312 -6.167 -8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.242 -2.032 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.888 -5.686 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.839 -1.590 -6.980 1.00 0.00 H new ATOM 0 HH TYR A 52 6.431 -2.890 -7.368 1.00 0.00 H new ATOM 472 N HIS A 53 14.110 -2.940 -10.610 1.00 0.00 N ATOM 473 CA HIS A 53 15.420 -2.340 -10.930 1.00 0.00 C ATOM 474 C HIS A 53 15.460 -0.870 -10.520 1.00 0.00 C ATOM 475 O HIS A 53 14.430 -0.230 -10.320 1.00 0.00 O ATOM 476 CB HIS A 53 15.730 -2.520 -12.420 1.00 0.00 C ATOM 477 CG HIS A 53 15.810 -3.970 -12.890 1.00 0.00 C ATOM 478 ND1 HIS A 53 14.810 -4.680 -13.380 1.00 0.00 N ATOM 479 CD2 HIS A 53 16.900 -4.740 -12.880 1.00 0.00 C ATOM 480 CE1 HIS A 53 15.250 -5.900 -13.670 1.00 0.00 C ATOM 481 NE2 HIS A 53 16.540 -5.930 -13.360 1.00 0.00 N ATOM 0 H HIS A 53 13.319 -2.318 -10.777 1.00 0.00 H new ATOM 0 HA HIS A 53 16.193 -2.855 -10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.963 -2.007 -13.000 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.678 -2.029 -12.641 1.00 0.00 H new ATOM 0 HD2 HIS A 53 17.886 -4.453 -12.546 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.668 -6.712 -14.080 1.00 0.00 H new ATOM 0 HE2 HIS A 53 17.157 -6.735 -13.471 1.00 0.00 H new ATOM 485 N GLU A 54 16.680 -0.380 -10.320 1.00 0.00 N ATOM 486 CA GLU A 54 16.910 1.020 -9.910 1.00 0.00 C ATOM 487 C GLU A 54 17.550 1.800 -11.060 1.00 0.00 C ATOM 488 O GLU A 54 18.400 1.270 -11.780 1.00 0.00 O ATOM 489 CB GLU A 54 17.870 1.140 -8.730 1.00 0.00 C ATOM 490 CG GLU A 54 17.280 0.540 -7.460 1.00 0.00 C ATOM 491 CD GLU A 54 18.230 -0.510 -6.880 1.00 0.00 C ATOM 492 OE1 GLU A 54 18.440 -1.510 -7.600 1.00 0.00 O ATOM 493 OE2 GLU A 54 18.680 -0.340 -5.730 1.00 0.00 O ATOM 0 H GLU A 54 17.534 -0.927 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 54 15.933 1.414 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.806 0.636 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.108 2.190 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.103 1.326 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.314 0.085 -7.679 1.00 0.00 H new ATOM 495 N TYR A 55 17.120 3.050 -11.150 1.00 0.00 N ATOM 496 CA TYR A 55 17.530 3.960 -12.230 1.00 0.00 C ATOM 497 C TYR A 55 17.320 5.420 -11.800 1.00 0.00 C ATOM 498 O TYR A 55 16.360 6.080 -12.200 1.00 0.00 O ATOM 499 CB TYR A 55 16.670 3.660 -13.470 1.00 0.00 C ATOM 500 CG TYR A 55 16.790 2.270 -14.060 1.00 0.00 C ATOM 501 CD1 TYR A 55 17.970 1.910 -14.740 1.00 0.00 C ATOM 502 CD2 TYR A 55 15.740 1.360 -13.890 1.00 0.00 C ATOM 503 CE1 TYR A 55 18.120 0.610 -15.240 1.00 0.00 C ATOM 504 CE2 TYR A 55 15.880 0.060 -14.430 1.00 0.00 C ATOM 505 CZ TYR A 55 17.070 -0.310 -15.080 1.00 0.00 C ATOM 506 OH TYR A 55 17.220 -1.590 -15.510 1.00 0.00 O ATOM 0 H TYR A 55 16.476 3.470 -10.480 1.00 0.00 H new ATOM 0 HA TYR A 55 18.586 3.812 -12.456 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.625 3.830 -13.209 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.927 4.382 -14.245 1.00 0.00 H new ATOM 0 HD1 TYR A 55 18.758 2.636 -14.876 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.844 1.644 -13.359 1.00 0.00 H new ATOM 0 HE1 TYR A 55 19.031 0.319 -15.742 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.071 -0.650 -14.343 1.00 0.00 H new ATOM 0 HH TYR A 55 16.402 -2.096 -15.323 1.00 0.00 H new ATOM 509 N THR A 56 18.130 5.890 -10.850 1.00 0.00 N ATOM 510 CA THR A 56 18.020 7.290 -10.380 1.00 0.00 C ATOM 511 C THR A 56 17.840 8.270 -11.530 1.00 0.00 C ATOM 512 O THR A 56 18.560 8.270 -12.530 1.00 0.00 O ATOM 513 CB THR A 56 19.230 7.710 -9.530 1.00 0.00 C ATOM 514 OG1 THR A 56 19.100 7.090 -8.260 1.00 0.00 O ATOM 515 CG2 THR A 56 19.560 9.200 -9.390 1.00 0.00 C ATOM 0 H THR A 56 18.859 5.342 -10.393 1.00 0.00 H new ATOM 0 HA THR A 56 17.127 7.324 -9.755 1.00 0.00 H new ATOM 0 HB THR A 56 20.096 7.368 -10.096 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.653 7.566 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 56 20.441 9.320 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 56 19.759 9.623 -10.375 1.00 0.00 H new ATOM 0 HG23 THR A 56 18.715 9.719 -8.937 1.00 0.00 H new ATOM 518 N VAL A 57 16.820 9.060 -11.320 1.00 0.00 N ATOM 519 CA VAL A 57 16.500 10.100 -12.280 1.00 0.00 C ATOM 520 C VAL A 57 17.250 11.380 -11.930 1.00 0.00 C ATOM 521 O VAL A 57 17.150 11.880 -10.810 1.00 0.00 O ATOM 522 CB VAL A 57 14.990 10.230 -12.400 1.00 0.00 C ATOM 523 CG1 VAL A 57 14.300 11.100 -11.350 1.00 0.00 C ATOM 524 CG2 VAL A 57 14.720 10.760 -13.790 1.00 0.00 C ATOM 0 H VAL A 57 16.202 9.011 -10.510 1.00 0.00 H new ATOM 0 HA VAL A 57 16.846 9.843 -13.281 1.00 0.00 H new ATOM 0 HB VAL A 57 14.561 9.244 -12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.227 11.116 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.487 10.690 -10.358 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.693 12.115 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.646 10.874 -13.934 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.207 11.728 -13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.113 10.061 -14.529 1.00 0.00 H new ATOM 526 N ILE A 58 18.100 11.790 -12.860 1.00 0.00 N ATOM 527 CA ILE A 58 18.760 13.110 -12.800 1.00 0.00 C ATOM 528 C ILE A 58 17.750 14.190 -12.390 1.00 0.00 C ATOM 529 O ILE A 58 16.590 14.150 -12.790 1.00 0.00 O ATOM 530 CB ILE A 58 19.470 13.410 -14.140 1.00 0.00 C ATOM 531 CG1 ILE A 58 20.920 12.970 -14.000 1.00 0.00 C ATOM 532 CG2 ILE A 58 19.420 14.850 -14.670 1.00 0.00 C ATOM 533 CD1 ILE A 58 21.270 11.960 -15.080 1.00 0.00 C ATOM 0 H ILE A 58 18.358 11.232 -13.674 1.00 0.00 H new ATOM 0 HA ILE A 58 19.534 13.105 -12.033 1.00 0.00 H new ATOM 0 HB ILE A 58 18.907 12.854 -14.890 1.00 0.00 H new ATOM 0 HG12 ILE A 58 21.579 13.835 -14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 58 21.081 12.531 -13.016 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.959 14.909 -15.615 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.382 15.145 -14.825 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.883 15.520 -13.946 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.310 11.654 -14.968 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.623 11.088 -14.986 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.129 12.413 -16.061 1.00 0.00 H new ATOM 535 N THR A 59 18.300 15.220 -11.750 1.00 0.00 N ATOM 536 CA THR A 59 17.510 16.370 -11.270 1.00 0.00 C ATOM 537 C THR A 59 18.300 17.680 -11.370 1.00 0.00 C ATOM 538 O THR A 59 19.520 17.660 -11.220 1.00 0.00 O ATOM 539 CB THR A 59 16.940 16.030 -9.880 1.00 0.00 C ATOM 540 OG1 THR A 59 15.840 15.150 -10.120 1.00 0.00 O ATOM 541 CG2 THR A 59 16.430 17.200 -9.040 1.00 0.00 C ATOM 0 H THR A 59 19.297 15.289 -11.547 1.00 0.00 H new ATOM 0 HA THR A 59 16.651 16.554 -11.916 1.00 0.00 H new ATOM 0 HB THR A 59 17.762 15.615 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.999 15.631 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.056 16.827 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.245 17.902 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.625 17.707 -9.573 1.00 0.00 H new ATOM 544 N PRO A 60 17.620 18.790 -11.720 1.00 0.00 N ATOM 545 CA PRO A 60 18.280 20.110 -11.820 1.00 0.00 C ATOM 546 C PRO A 60 18.540 20.680 -10.420 1.00 0.00 C ATOM 547 O PRO A 60 17.840 20.340 -9.470 1.00 0.00 O ATOM 548 CB PRO A 60 17.320 20.970 -12.630 1.00 0.00 C ATOM 549 CG PRO A 60 15.940 20.380 -12.330 1.00 0.00 C ATOM 550 CD PRO A 60 16.190 18.890 -12.090 1.00 0.00 C ATOM 0 HA PRO A 60 19.256 20.062 -12.302 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.378 22.017 -12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 60 17.548 20.926 -13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.491 20.851 -11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.254 20.536 -13.163 1.00 0.00 H new ATOM 0 HD2 PRO A 60 15.550 18.507 -11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.973 18.305 -12.984 1.00 0.00 H new ATOM 551 N GLY A 61 19.660 21.380 -10.320 1.00 0.00 N ATOM 552 CA GLY A 61 20.160 21.950 -9.050 1.00 0.00 C ATOM 553 C GLY A 61 20.350 20.870 -7.960 1.00 0.00 C ATOM 554 O GLY A 61 20.310 21.150 -6.770 1.00 0.00 O ATOM 0 H GLY A 61 20.263 21.578 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 61 21.110 22.454 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 61 19.460 22.706 -8.692 1.00 0.00 H new ATOM 556 N ALA A 62 20.620 19.650 -8.420 1.00 0.00 N ATOM 557 CA ALA A 62 20.860 18.500 -7.530 1.00 0.00 C ATOM 558 C ALA A 62 22.370 18.400 -7.380 1.00 0.00 C ATOM 559 O ALA A 62 23.070 17.940 -8.290 1.00 0.00 O ATOM 560 CB ALA A 62 20.260 17.230 -8.130 1.00 0.00 C ATOM 0 H ALA A 62 20.680 19.424 -9.413 1.00 0.00 H new ATOM 0 HA ALA A 62 20.386 18.627 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 62 20.445 16.389 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 62 19.186 17.361 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 62 20.720 17.032 -9.098 1.00 0.00 H new ATOM 562 N ARG A 63 22.860 19.060 -6.330 1.00 0.00 N ATOM 563 CA ARG A 63 24.300 19.040 -5.950 1.00 0.00 C ATOM 564 C ARG A 63 24.950 17.670 -6.120 1.00 0.00 C ATOM 565 O ARG A 63 26.140 17.550 -6.410 1.00 0.00 O ATOM 566 CB ARG A 63 24.530 19.500 -4.510 1.00 0.00 C ATOM 567 CG ARG A 63 24.710 21.020 -4.460 1.00 0.00 C ATOM 568 CD ARG A 63 23.690 21.710 -3.560 1.00 0.00 C ATOM 569 NE ARG A 63 24.250 21.990 -2.220 1.00 0.00 N ATOM 570 CZ ARG A 63 23.800 22.950 -1.390 1.00 0.00 C ATOM 571 NH1 ARG A 63 22.790 23.740 -1.740 1.00 0.00 N ATOM 572 NH2 ARG A 63 24.370 23.140 -0.210 1.00 0.00 N ATOM 0 H ARG A 63 22.282 19.627 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 63 24.769 19.741 -6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 63 23.685 19.206 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 63 25.413 19.009 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 63 25.715 21.250 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 63 24.628 21.424 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 63 23.367 22.643 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.806 21.080 -3.461 1.00 0.00 H new ATOM 0 HE ARG A 63 25.031 21.416 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 63 22.343 23.624 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 63 22.462 24.462 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 63 25.156 22.557 0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 63 24.023 23.870 0.413 1.00 0.00 H new ATOM 579 N THR A 64 24.140 16.650 -5.880 1.00 0.00 N ATOM 580 CA THR A 64 24.530 15.230 -5.990 1.00 0.00 C ATOM 581 C THR A 64 23.480 14.490 -6.830 1.00 0.00 C ATOM 582 O THR A 64 22.610 15.110 -7.450 1.00 0.00 O ATOM 583 CB THR A 64 24.670 14.650 -4.580 1.00 0.00 C ATOM 584 OG1 THR A 64 23.390 14.650 -3.940 1.00 0.00 O ATOM 585 CG2 THR A 64 25.700 15.410 -3.730 1.00 0.00 C ATOM 0 H THR A 64 23.169 16.777 -5.596 1.00 0.00 H new ATOM 0 HA THR A 64 25.491 15.117 -6.492 1.00 0.00 H new ATOM 0 HB THR A 64 25.039 13.629 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 64 23.475 14.278 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 64 25.760 14.958 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 64 26.677 15.360 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 64 25.395 16.452 -3.635 1.00 0.00 H new ATOM 588 N ARG A 65 23.450 13.170 -6.700 1.00 0.00 N ATOM 589 CA ARG A 65 22.410 12.300 -7.300 1.00 0.00 C ATOM 590 C ARG A 65 20.980 12.670 -6.900 1.00 0.00 C ATOM 591 O ARG A 65 20.020 12.300 -7.570 1.00 0.00 O ATOM 592 CB ARG A 65 22.690 10.860 -6.900 1.00 0.00 C ATOM 593 CG ARG A 65 23.260 10.170 -8.130 1.00 0.00 C ATOM 594 CD ARG A 65 24.080 8.950 -7.750 1.00 0.00 C ATOM 595 NE ARG A 65 25.370 9.360 -7.190 1.00 0.00 N ATOM 596 CZ ARG A 65 26.170 8.570 -6.480 1.00 0.00 C ATOM 597 NH1 ARG A 65 25.860 7.310 -6.210 1.00 0.00 N ATOM 598 NH2 ARG A 65 27.310 9.070 -6.060 1.00 0.00 N ATOM 0 H ARG A 65 24.151 12.653 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 65 22.467 12.438 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.396 10.819 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 65 21.777 10.366 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.447 9.872 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.883 10.870 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.535 8.349 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.239 8.323 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 65 25.676 10.319 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.983 6.917 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.499 6.734 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.556 10.035 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.949 8.493 -5.513 1.00 0.00 H new ATOM 605 N GLY A 66 20.890 13.410 -5.790 1.00 0.00 N ATOM 606 CA GLY A 66 19.630 13.850 -5.200 1.00 0.00 C ATOM 607 C GLY A 66 18.870 12.640 -4.670 1.00 0.00 C ATOM 608 O GLY A 66 19.170 11.470 -4.930 1.00 0.00 O ATOM 0 H GLY A 66 21.709 13.724 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.821 14.556 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.030 14.373 -5.945 1.00 0.00 H new ATOM 610 N THR A 67 17.860 12.980 -3.900 1.00 0.00 N ATOM 611 CA THR A 67 16.920 12.010 -3.330 1.00 0.00 C ATOM 612 C THR A 67 15.970 11.390 -4.380 1.00 0.00 C ATOM 613 O THR A 67 15.210 10.450 -4.140 1.00 0.00 O ATOM 614 CB THR A 67 16.180 12.730 -2.200 1.00 0.00 C ATOM 615 OG1 THR A 67 15.610 13.930 -2.710 1.00 0.00 O ATOM 616 CG2 THR A 67 17.090 13.010 -0.990 1.00 0.00 C ATOM 0 H THR A 67 17.657 13.946 -3.643 1.00 0.00 H new ATOM 0 HA THR A 67 17.460 11.147 -2.940 1.00 0.00 H new ATOM 0 HB THR A 67 15.387 12.077 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.640 13.820 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.519 13.522 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.472 12.068 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.925 13.639 -1.300 1.00 0.00 H new ATOM 619 N ARG A 68 16.070 11.900 -5.600 1.00 0.00 N ATOM 620 CA ARG A 68 15.300 11.430 -6.770 1.00 0.00 C ATOM 621 C ARG A 68 15.830 10.080 -7.240 1.00 0.00 C ATOM 622 O ARG A 68 17.000 9.910 -7.580 1.00 0.00 O ATOM 623 CB ARG A 68 15.420 12.460 -7.900 1.00 0.00 C ATOM 624 CG ARG A 68 15.090 13.890 -7.470 1.00 0.00 C ATOM 625 CD ARG A 68 13.640 14.090 -7.050 1.00 0.00 C ATOM 626 NE ARG A 68 12.970 15.090 -7.900 1.00 0.00 N ATOM 627 CZ ARG A 68 11.820 15.700 -7.600 1.00 0.00 C ATOM 628 NH1 ARG A 68 11.140 15.440 -6.500 1.00 0.00 N ATOM 629 NH2 ARG A 68 11.320 16.580 -8.460 1.00 0.00 N ATOM 0 H ARG A 68 16.701 12.671 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 68 14.253 11.315 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.435 12.435 -8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.754 12.172 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.740 14.168 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.316 14.568 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.107 13.141 -7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.601 14.410 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 68 13.418 15.335 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.488 14.748 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.266 15.931 -6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.813 16.779 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.443 17.057 -8.250 1.00 0.00 H new ATOM 636 N ARG A 69 14.950 9.100 -7.150 1.00 0.00 N ATOM 637 CA ARG A 69 15.230 7.710 -7.560 1.00 0.00 C ATOM 638 C ARG A 69 13.990 7.130 -8.260 1.00 0.00 C ATOM 639 O ARG A 69 12.860 7.360 -7.830 1.00 0.00 O ATOM 640 CB ARG A 69 15.620 6.940 -6.300 1.00 0.00 C ATOM 641 CG ARG A 69 15.870 5.430 -6.450 1.00 0.00 C ATOM 642 CD ARG A 69 17.270 5.070 -6.920 1.00 0.00 C ATOM 643 NE ARG A 69 17.730 3.890 -6.160 1.00 0.00 N ATOM 644 CZ ARG A 69 18.960 3.670 -5.710 1.00 0.00 C ATOM 645 NH1 ARG A 69 19.950 4.540 -5.870 1.00 0.00 N ATOM 646 NH2 ARG A 69 19.240 2.570 -5.040 1.00 0.00 N ATOM 0 H ARG A 69 14.006 9.234 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 69 16.049 7.643 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.524 7.393 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.832 7.080 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.686 4.946 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.147 5.022 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.267 4.855 -7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.949 5.909 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 69 17.033 3.172 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.781 5.421 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.879 4.328 -5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.509 1.880 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.187 2.408 -4.698 1.00 0.00 H new ATOM 653 N ILE A 70 14.280 6.490 -9.390 1.00 0.00 N ATOM 654 CA ILE A 70 13.270 5.770 -10.190 1.00 0.00 C ATOM 655 C ILE A 70 13.480 4.270 -9.970 1.00 0.00 C ATOM 656 O ILE A 70 14.600 3.760 -10.010 1.00 0.00 O ATOM 657 CB ILE A 70 13.330 6.210 -11.670 1.00 0.00 C ATOM 658 CG1 ILE A 70 12.450 7.460 -11.810 1.00 0.00 C ATOM 659 CG2 ILE A 70 13.040 5.110 -12.710 1.00 0.00 C ATOM 660 CD1 ILE A 70 12.300 8.050 -13.220 1.00 0.00 C ATOM 0 H ILE A 70 15.220 6.451 -9.784 1.00 0.00 H new ATOM 0 HA ILE A 70 12.257 6.014 -9.870 1.00 0.00 H new ATOM 0 HB ILE A 70 14.364 6.448 -11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.455 7.218 -11.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.855 8.235 -11.159 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.109 5.530 -13.713 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.768 4.306 -12.602 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.037 4.714 -12.551 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.655 8.928 -13.180 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.280 8.337 -13.600 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.858 7.305 -13.881 1.00 0.00 H new ATOM 662 N ILE A 71 12.360 3.610 -9.730 1.00 0.00 N ATOM 663 CA ILE A 71 12.350 2.150 -9.500 1.00 0.00 C ATOM 664 C ILE A 71 11.400 1.530 -10.530 1.00 0.00 C ATOM 665 O ILE A 71 10.220 1.820 -10.530 1.00 0.00 O ATOM 666 CB ILE A 71 11.880 1.800 -8.080 1.00 0.00 C ATOM 667 CG1 ILE A 71 12.560 2.650 -6.990 1.00 0.00 C ATOM 668 CG2 ILE A 71 12.080 0.290 -7.840 1.00 0.00 C ATOM 669 CD1 ILE A 71 14.080 2.520 -6.940 1.00 0.00 C ATOM 0 H ILE A 71 11.440 4.049 -9.687 1.00 0.00 H new ATOM 0 HA ILE A 71 13.362 1.759 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 71 10.820 2.041 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.303 3.697 -7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.152 2.367 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 71 11.748 0.034 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 71 11.498 -0.274 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.136 0.041 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 71 14.473 3.152 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 71 14.350 1.482 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.503 2.833 -7.894 1.00 0.00 H new ATOM 671 N THR A 72 11.960 0.860 -11.510 1.00 0.00 N ATOM 672 CA THR A 72 11.140 0.200 -12.550 1.00 0.00 C ATOM 673 C THR A 72 10.870 -1.260 -12.180 1.00 0.00 C ATOM 674 O THR A 72 11.520 -1.820 -11.300 1.00 0.00 O ATOM 675 CB THR A 72 11.850 0.290 -13.890 1.00 0.00 C ATOM 676 OG1 THR A 72 13.200 -0.100 -13.630 1.00 0.00 O ATOM 677 CG2 THR A 72 11.750 1.690 -14.500 1.00 0.00 C ATOM 0 H THR A 72 12.967 0.747 -11.626 1.00 0.00 H new ATOM 0 HA THR A 72 10.179 0.710 -12.621 1.00 0.00 H new ATOM 0 HB THR A 72 11.390 -0.361 -14.633 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.806 0.425 -14.194 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.271 1.708 -15.457 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.702 1.946 -14.653 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.206 2.414 -13.825 1.00 0.00 H new ATOM 680 N GLY A 73 9.880 -1.820 -12.870 1.00 0.00 N ATOM 681 CA GLY A 73 9.450 -3.220 -12.690 1.00 0.00 C ATOM 682 C GLY A 73 9.930 -4.080 -13.870 1.00 0.00 C ATOM 683 O GLY A 73 10.570 -3.590 -14.800 1.00 0.00 O ATOM 0 H GLY A 73 9.344 -1.318 -13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.852 -3.614 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.364 -3.267 -12.615 1.00 0.00 H new ATOM 685 N GLU A 74 9.460 -5.320 -13.890 1.00 0.00 N ATOM 686 CA GLU A 74 9.730 -6.250 -15.000 1.00 0.00 C ATOM 687 C GLU A 74 8.870 -5.940 -16.240 1.00 0.00 C ATOM 688 O GLU A 74 9.050 -6.530 -17.310 1.00 0.00 O ATOM 689 CB GLU A 74 9.480 -7.680 -14.540 1.00 0.00 C ATOM 690 CG GLU A 74 10.120 -8.770 -15.400 1.00 0.00 C ATOM 691 CD GLU A 74 11.280 -9.410 -14.640 1.00 0.00 C ATOM 692 OE1 GLU A 74 10.990 -10.250 -13.760 1.00 0.00 O ATOM 693 OE2 GLU A 74 12.430 -9.040 -14.950 1.00 0.00 O ATOM 0 H GLU A 74 8.884 -5.716 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 74 10.774 -6.127 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.848 -7.784 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.404 -7.850 -14.510 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.379 -9.527 -15.656 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.478 -8.344 -16.337 1.00 0.00 H new ATOM 695 N ALA A 75 7.850 -5.120 -16.040 1.00 0.00 N ATOM 696 CA ALA A 75 6.950 -4.670 -17.110 1.00 0.00 C ATOM 697 C ALA A 75 7.110 -3.150 -17.260 1.00 0.00 C ATOM 698 O ALA A 75 7.180 -2.410 -16.280 1.00 0.00 O ATOM 699 CB ALA A 75 5.510 -5.040 -16.750 1.00 0.00 C ATOM 0 H ALA A 75 7.615 -4.740 -15.123 1.00 0.00 H new ATOM 0 HA ALA A 75 7.195 -5.152 -18.056 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.840 -4.707 -17.543 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.430 -6.121 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.233 -4.556 -15.814 1.00 0.00 H new ATOM 701 N THR A 76 7.280 -2.740 -18.510 1.00 0.00 N ATOM 702 CA THR A 76 7.350 -1.310 -18.880 1.00 0.00 C ATOM 703 C THR A 76 6.080 -0.610 -18.390 1.00 0.00 C ATOM 704 O THR A 76 5.030 -1.230 -18.220 1.00 0.00 O ATOM 705 CB THR A 76 7.600 -1.180 -20.400 1.00 0.00 C ATOM 706 OG1 THR A 76 8.970 -1.530 -20.610 1.00 0.00 O ATOM 707 CG2 THR A 76 7.360 0.200 -21.030 1.00 0.00 C ATOM 0 H THR A 76 7.374 -3.376 -19.301 1.00 0.00 H new ATOM 0 HA THR A 76 8.189 -0.811 -18.396 1.00 0.00 H new ATOM 0 HB THR A 76 6.871 -1.829 -20.885 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.182 -1.465 -21.565 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.571 0.154 -22.098 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.321 0.494 -20.878 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.017 0.933 -20.562 1.00 0.00 H new ATOM 710 N GLN A 77 6.250 0.690 -18.110 1.00 0.00 N ATOM 711 CA GLN A 77 5.200 1.610 -17.610 1.00 0.00 C ATOM 712 C GLN A 77 4.900 1.340 -16.120 1.00 0.00 C ATOM 713 O GLN A 77 3.800 1.540 -15.600 1.00 0.00 O ATOM 714 CB GLN A 77 3.890 1.590 -18.430 1.00 0.00 C ATOM 715 CG GLN A 77 4.130 1.420 -19.930 1.00 0.00 C ATOM 716 CD GLN A 77 3.260 2.300 -20.820 1.00 0.00 C ATOM 717 OE1 GLN A 77 2.100 2.580 -20.570 1.00 0.00 O ATOM 718 NE2 GLN A 77 3.850 2.720 -21.910 1.00 0.00 N ATOM 0 H GLN A 77 7.151 1.153 -18.227 1.00 0.00 H new ATOM 0 HA GLN A 77 5.614 2.611 -17.731 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.257 0.777 -18.074 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.345 2.518 -18.257 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.177 1.635 -20.143 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.958 0.377 -20.195 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.822 2.470 -22.093 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.338 3.298 -22.577 1.00 0.00 H new ATOM 722 N GLU A 78 5.960 0.940 -15.430 1.00 0.00 N ATOM 723 CA GLU A 78 5.940 0.610 -14.000 1.00 0.00 C ATOM 724 C GLU A 78 7.170 1.140 -13.260 1.00 0.00 C ATOM 725 O GLU A 78 7.940 0.420 -12.640 1.00 0.00 O ATOM 726 CB GLU A 78 5.740 -0.890 -13.780 1.00 0.00 C ATOM 727 CG GLU A 78 4.250 -1.220 -13.670 1.00 0.00 C ATOM 728 CD GLU A 78 3.980 -2.180 -12.510 1.00 0.00 C ATOM 729 OE1 GLU A 78 4.500 -1.900 -11.410 1.00 0.00 O ATOM 730 OE2 GLU A 78 3.150 -3.090 -12.700 1.00 0.00 O ATOM 0 H GLU A 78 6.882 0.832 -15.853 1.00 0.00 H new ATOM 0 HA GLU A 78 5.081 1.122 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.182 -1.447 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.256 -1.203 -12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.681 -0.302 -13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.904 -1.666 -14.602 1.00 0.00 H new ATOM 732 N ASP A 79 7.340 2.460 -13.370 1.00 0.00 N ATOM 733 CA ASP A 79 8.390 3.180 -12.650 1.00 0.00 C ATOM 734 C ASP A 79 7.760 3.880 -11.450 1.00 0.00 C ATOM 735 O ASP A 79 6.980 4.800 -11.650 1.00 0.00 O ATOM 736 CB ASP A 79 9.100 4.170 -13.580 1.00 0.00 C ATOM 737 CG ASP A 79 9.750 5.370 -12.890 1.00 0.00 C ATOM 738 OD1 ASP A 79 10.230 5.210 -11.750 1.00 0.00 O ATOM 739 OD2 ASP A 79 9.720 6.450 -13.500 1.00 0.00 O ATOM 0 H ASP A 79 6.757 3.056 -13.958 1.00 0.00 H new ATOM 0 HA ASP A 79 9.149 2.483 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.868 3.633 -14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.378 4.539 -14.309 1.00 0.00 H new ATOM 741 N TYR A 80 8.390 3.660 -10.320 1.00 0.00 N ATOM 742 CA TYR A 80 8.050 4.280 -9.030 1.00 0.00 C ATOM 743 C TYR A 80 9.040 5.410 -8.730 1.00 0.00 C ATOM 744 O TYR A 80 10.260 5.230 -8.760 1.00 0.00 O ATOM 745 CB TYR A 80 8.180 3.210 -7.950 1.00 0.00 C ATOM 746 CG TYR A 80 7.480 1.900 -8.340 1.00 0.00 C ATOM 747 CD1 TYR A 80 6.110 1.770 -8.040 1.00 0.00 C ATOM 748 CD2 TYR A 80 8.210 0.840 -8.910 1.00 0.00 C ATOM 749 CE1 TYR A 80 5.470 0.540 -8.290 1.00 0.00 C ATOM 750 CE2 TYR A 80 7.570 -0.390 -9.180 1.00 0.00 C ATOM 751 CZ TYR A 80 6.210 -0.520 -8.840 1.00 0.00 C ATOM 752 OH TYR A 80 5.610 -1.730 -8.920 1.00 0.00 O ATOM 0 H TYR A 80 9.184 3.024 -10.256 1.00 0.00 H new ATOM 0 HA TYR A 80 7.038 4.685 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.235 3.013 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.754 3.583 -7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.559 2.601 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.257 0.967 -9.140 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.422 0.413 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.109 -1.208 -9.635 1.00 0.00 H new ATOM 0 HH TYR A 80 5.265 -1.865 -9.827 1.00 0.00 H new ATOM 755 N TYR A 81 8.460 6.550 -8.410 1.00 0.00 N ATOM 756 CA TYR A 81 9.240 7.770 -8.140 1.00 0.00 C ATOM 757 C TYR A 81 9.190 8.070 -6.650 1.00 0.00 C ATOM 758 O TYR A 81 8.120 8.210 -6.060 1.00 0.00 O ATOM 759 CB TYR A 81 8.630 8.960 -8.860 1.00 0.00 C ATOM 760 CG TYR A 81 9.650 10.070 -9.080 1.00 0.00 C ATOM 761 CD1 TYR A 81 9.940 11.010 -8.060 1.00 0.00 C ATOM 762 CD2 TYR A 81 10.200 10.190 -10.370 1.00 0.00 C ATOM 763 CE1 TYR A 81 10.800 12.080 -8.340 1.00 0.00 C ATOM 764 CE2 TYR A 81 11.040 11.280 -10.660 1.00 0.00 C ATOM 765 CZ TYR A 81 11.340 12.200 -9.640 1.00 0.00 C ATOM 766 OH TYR A 81 12.210 13.200 -9.950 1.00 0.00 O ATOM 0 H TYR A 81 7.450 6.670 -8.327 1.00 0.00 H new ATOM 0 HA TYR A 81 10.262 7.608 -8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.230 8.638 -9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.792 9.346 -8.280 1.00 0.00 H new ATOM 0 HD1 TYR A 81 9.503 10.903 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.979 9.453 -11.128 1.00 0.00 H new ATOM 0 HE1 TYR A 81 11.046 12.801 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.449 11.408 -11.651 1.00 0.00 H new ATOM 0 HH TYR A 81 12.476 13.122 -10.890 1.00 0.00 H new ATOM 769 N THR A 82 10.390 8.170 -6.100 1.00 0.00 N ATOM 770 CA THR A 82 10.560 8.540 -4.680 1.00 0.00 C ATOM 771 C THR A 82 10.580 10.060 -4.480 1.00 0.00 C ATOM 772 O THR A 82 9.650 10.680 -3.970 1.00 0.00 O ATOM 773 CB THR A 82 11.700 7.780 -3.960 1.00 0.00 C ATOM 774 OG1 THR A 82 12.580 8.660 -3.270 1.00 0.00 O ATOM 775 CG2 THR A 82 12.470 6.750 -4.790 1.00 0.00 C ATOM 0 H THR A 82 11.263 8.004 -6.601 1.00 0.00 H new ATOM 0 HA THR A 82 9.666 8.188 -4.165 1.00 0.00 H new ATOM 0 HB THR A 82 11.164 7.172 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.506 8.460 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.240 6.288 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.783 5.983 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.936 7.245 -5.642 1.00 0.00 H new ATOM 778 N GLY A 83 11.650 10.670 -4.980 1.00 0.00 N ATOM 779 CA GLY A 83 11.940 12.090 -4.760 1.00 0.00 C ATOM 780 C GLY A 83 12.320 12.430 -3.310 1.00 0.00 C ATOM 781 O GLY A 83 12.570 13.590 -2.980 1.00 0.00 O ATOM 0 H GLY A 83 12.347 10.194 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.755 12.391 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.067 12.677 -5.044 1.00 0.00 H new ATOM 783 N ASP A 84 12.370 11.400 -2.460 1.00 0.00 N ATOM 784 CA ASP A 84 12.750 11.510 -1.040 1.00 0.00 C ATOM 785 C ASP A 84 13.830 10.500 -0.610 1.00 0.00 C ATOM 786 O ASP A 84 14.130 10.380 0.570 1.00 0.00 O ATOM 787 CB ASP A 84 11.500 11.330 -0.170 1.00 0.00 C ATOM 788 CG ASP A 84 10.440 12.410 -0.310 1.00 0.00 C ATOM 789 OD1 ASP A 84 10.770 13.590 -0.050 1.00 0.00 O ATOM 790 OD2 ASP A 84 9.290 12.030 -0.620 1.00 0.00 O ATOM 0 H ASP A 84 12.144 10.446 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 84 13.184 12.500 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.047 10.368 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.810 11.284 0.874 1.00 0.00 H new ATOM 792 N HIS A 85 14.450 9.850 -1.600 1.00 0.00 N ATOM 793 CA HIS A 85 15.490 8.820 -1.480 1.00 0.00 C ATOM 794 C HIS A 85 14.980 7.590 -0.740 1.00 0.00 C ATOM 795 O HIS A 85 15.100 7.490 0.480 1.00 0.00 O ATOM 796 CB HIS A 85 16.730 9.400 -0.800 1.00 0.00 C ATOM 797 CG HIS A 85 17.960 8.520 -0.910 1.00 0.00 C ATOM 798 ND1 HIS A 85 18.390 7.720 0.050 1.00 0.00 N ATOM 799 CD2 HIS A 85 18.800 8.460 -1.930 1.00 0.00 C ATOM 800 CE1 HIS A 85 19.520 7.160 -0.360 1.00 0.00 C ATOM 801 NE2 HIS A 85 19.770 7.620 -1.580 1.00 0.00 N ATOM 0 H HIS A 85 14.223 10.042 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 85 15.764 8.497 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.951 10.373 -1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 85 16.509 9.568 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.715 8.991 -2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 85 20.125 6.459 0.196 1.00 0.00 H new ATOM 0 HE2 HIS A 85 20.575 7.370 -2.155 1.00 0.00 H new ATOM 805 N TYR A 86 14.280 6.750 -1.490 1.00 0.00 N ATOM 806 CA TYR A 86 13.620 5.560 -0.920 1.00 0.00 C ATOM 807 C TYR A 86 12.680 5.870 0.260 1.00 0.00 C ATOM 808 O TYR A 86 12.580 5.120 1.220 1.00 0.00 O ATOM 809 CB TYR A 86 14.700 4.570 -0.470 1.00 0.00 C ATOM 810 CG TYR A 86 15.310 3.820 -1.640 1.00 0.00 C ATOM 811 CD1 TYR A 86 14.440 3.210 -2.560 1.00 0.00 C ATOM 812 CD2 TYR A 86 16.710 3.640 -1.680 1.00 0.00 C ATOM 813 CE1 TYR A 86 14.970 2.380 -3.550 1.00 0.00 C ATOM 814 CE2 TYR A 86 17.240 2.800 -2.670 1.00 0.00 C ATOM 815 CZ TYR A 86 16.360 2.180 -3.580 1.00 0.00 C ATOM 816 OH TYR A 86 16.820 1.310 -4.510 1.00 0.00 O ATOM 0 H TYR A 86 14.148 6.861 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 86 12.990 5.139 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.484 5.107 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.268 3.857 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.375 3.381 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.354 4.135 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.327 1.903 -4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 86 18.305 2.631 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 86 16.402 0.434 -4.374 1.00 0.00 H new ATOM 819 N ALA A 87 12.050 7.030 0.200 1.00 0.00 N ATOM 820 CA ALA A 87 11.120 7.410 1.280 1.00 0.00 C ATOM 821 C ALA A 87 9.650 7.450 0.840 1.00 0.00 C ATOM 822 O ALA A 87 8.760 7.480 1.680 1.00 0.00 O ATOM 823 CB ALA A 87 11.570 8.700 1.950 1.00 0.00 C ATOM 0 H ALA A 87 12.150 7.713 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 87 11.161 6.616 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.870 8.961 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.564 8.562 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.599 9.502 1.213 1.00 0.00 H new ATOM 825 N THR A 88 9.430 7.280 -0.460 1.00 0.00 N ATOM 826 CA THR A 88 8.110 7.340 -1.130 1.00 0.00 C ATOM 827 C THR A 88 8.250 6.700 -2.520 1.00 0.00 C ATOM 828 O THR A 88 9.350 6.330 -2.910 1.00 0.00 O ATOM 829 CB THR A 88 7.670 8.790 -1.320 1.00 0.00 C ATOM 830 OG1 THR A 88 8.810 9.510 -1.750 1.00 0.00 O ATOM 831 CG2 THR A 88 7.050 9.400 -0.060 1.00 0.00 C ATOM 0 H THR A 88 10.190 7.088 -1.113 1.00 0.00 H new ATOM 0 HA THR A 88 7.374 6.818 -0.518 1.00 0.00 H new ATOM 0 HB THR A 88 6.874 8.839 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.692 9.782 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.758 10.431 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.171 8.824 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.779 9.380 0.750 1.00 0.00 H new ATOM 834 N PHE A 89 7.120 6.390 -3.140 1.00 0.00 N ATOM 835 CA PHE A 89 7.060 5.650 -4.430 1.00 0.00 C ATOM 836 C PHE A 89 5.700 5.930 -5.060 1.00 0.00 C ATOM 837 O PHE A 89 4.650 5.730 -4.440 1.00 0.00 O ATOM 838 CB PHE A 89 7.190 4.140 -4.210 1.00 0.00 C ATOM 839 CG PHE A 89 8.490 3.740 -3.490 1.00 0.00 C ATOM 840 CD1 PHE A 89 9.670 3.520 -4.240 1.00 0.00 C ATOM 841 CD2 PHE A 89 8.490 3.650 -2.080 1.00 0.00 C ATOM 842 CE1 PHE A 89 10.870 3.200 -3.550 1.00 0.00 C ATOM 843 CE2 PHE A 89 9.690 3.360 -1.390 1.00 0.00 C ATOM 844 CZ PHE A 89 10.860 3.130 -2.140 1.00 0.00 C ATOM 0 H PHE A 89 6.201 6.639 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 89 7.880 5.977 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.338 3.790 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.146 3.634 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.658 3.594 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.574 3.803 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.781 3.012 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.709 3.316 -0.311 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.777 2.893 -1.621 1.00 0.00 H new ATOM 846 N SER A 90 5.780 6.550 -6.230 1.00 0.00 N ATOM 847 CA SER A 90 4.580 6.920 -7.000 1.00 0.00 C ATOM 848 C SER A 90 4.830 6.600 -8.460 1.00 0.00 C ATOM 849 O SER A 90 5.750 7.160 -9.060 1.00 0.00 O ATOM 850 CB SER A 90 4.250 8.410 -6.900 1.00 0.00 C ATOM 851 OG SER A 90 4.640 8.930 -5.620 1.00 0.00 O ATOM 0 H SER A 90 6.660 6.811 -6.674 1.00 0.00 H new ATOM 0 HA SER A 90 3.742 6.358 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.764 8.955 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.181 8.562 -7.050 1.00 0.00 H new ATOM 0 HG SER A 90 4.423 9.885 -5.575 1.00 0.00 H new ATOM 854 N LEU A 91 4.180 5.530 -8.930 1.00 0.00 N ATOM 855 CA LEU A 91 4.250 5.100 -10.340 1.00 0.00 C ATOM 856 C LEU A 91 4.210 6.280 -11.320 1.00 0.00 C ATOM 857 O LEU A 91 3.710 7.340 -11.000 1.00 0.00 O ATOM 858 CB LEU A 91 3.110 4.130 -10.690 1.00 0.00 C ATOM 859 CG LEU A 91 3.420 2.680 -10.320 1.00 0.00 C ATOM 860 CD1 LEU A 91 2.230 1.770 -10.580 1.00 0.00 C ATOM 861 CD2 LEU A 91 4.600 2.190 -11.160 1.00 0.00 C ATOM 0 H LEU A 91 3.590 4.935 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 91 5.210 4.594 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.203 4.444 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.906 4.190 -11.759 1.00 0.00 H new ATOM 0 HG LEU A 91 3.656 2.647 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.487 0.747 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.380 2.103 -9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.968 1.807 -11.637 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.826 1.156 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.344 2.251 -12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.472 2.813 -10.961 1.00 0.00 H new ATOM 863 N ILE A 92 4.710 6.100 -12.530 1.00 0.00 N ATOM 864 CA ILE A 92 4.700 7.180 -13.530 1.00 0.00 C ATOM 865 C ILE A 92 3.610 6.910 -14.560 1.00 0.00 C ATOM 866 O ILE A 92 3.550 5.850 -15.170 1.00 0.00 O ATOM 867 CB ILE A 92 6.120 7.350 -14.120 1.00 0.00 C ATOM 868 CG1 ILE A 92 7.000 8.260 -13.270 1.00 0.00 C ATOM 869 CG2 ILE A 92 6.110 7.980 -15.520 1.00 0.00 C ATOM 870 CD1 ILE A 92 7.440 7.720 -11.910 1.00 0.00 C ATOM 0 H ILE A 92 5.127 5.227 -12.853 1.00 0.00 H new ATOM 0 HA ILE A 92 4.449 8.139 -13.077 1.00 0.00 H new ATOM 0 HB ILE A 92 6.513 6.334 -14.150 1.00 0.00 H new ATOM 0 HG12 ILE A 92 7.894 8.501 -13.845 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.464 9.195 -13.107 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.133 8.075 -15.884 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.541 7.346 -16.200 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.649 8.967 -15.472 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.060 8.462 -11.407 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.561 7.508 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.014 6.804 -12.051 1.00 0.00 H new ATOM 872 N ASP A 93 2.860 7.970 -14.820 1.00 0.00 N ATOM 873 CA ASP A 93 1.780 7.930 -15.820 1.00 0.00 C ATOM 874 C ASP A 93 2.210 8.710 -17.060 1.00 0.00 C ATOM 875 O ASP A 93 1.920 9.900 -17.200 1.00 0.00 O ATOM 876 CB ASP A 93 0.510 8.490 -15.170 1.00 0.00 C ATOM 877 CG ASP A 93 -0.720 7.630 -15.460 1.00 0.00 C ATOM 878 OD1 ASP A 93 -0.550 6.400 -15.600 1.00 0.00 O ATOM 879 OD2 ASP A 93 -1.810 8.230 -15.520 1.00 0.00 O ATOM 0 H ASP A 93 2.972 8.872 -14.358 1.00 0.00 H new ATOM 0 HA ASP A 93 1.570 6.912 -16.148 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.656 8.558 -14.092 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.336 9.503 -15.533 1.00 0.00 H new ATOM 881 N GLN A 94 2.850 7.980 -17.970 1.00 0.00 N ATOM 882 CA GLN A 94 3.370 8.550 -19.230 1.00 0.00 C ATOM 883 C GLN A 94 2.230 9.080 -20.120 1.00 0.00 C ATOM 884 O GLN A 94 2.300 10.200 -20.600 1.00 0.00 O ATOM 885 CB GLN A 94 4.170 7.530 -20.050 1.00 0.00 C ATOM 886 CG GLN A 94 5.200 6.760 -19.220 1.00 0.00 C ATOM 887 CD GLN A 94 4.800 5.280 -19.200 1.00 0.00 C ATOM 888 OE1 GLN A 94 3.680 4.900 -18.920 1.00 0.00 O ATOM 889 NE2 GLN A 94 5.760 4.440 -19.540 1.00 0.00 N ATOM 0 H GLN A 94 3.027 6.981 -17.865 1.00 0.00 H new ATOM 0 HA GLN A 94 4.028 9.365 -18.930 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.480 6.821 -20.508 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.681 8.048 -20.862 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.196 6.878 -19.648 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.241 7.155 -18.205 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.689 4.793 -19.769 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.573 3.438 -19.574 1.00 0.00 H new ATOM 893 N THR A 95 1.150 8.300 -20.140 1.00 0.00 N ATOM 894 CA THR A 95 -0.140 8.650 -20.790 1.00 0.00 C ATOM 895 C THR A 95 -0.670 10.030 -20.360 1.00 0.00 C ATOM 896 O THR A 95 -1.100 10.850 -21.170 1.00 0.00 O ATOM 897 CB THR A 95 -1.210 7.560 -20.570 1.00 0.00 C ATOM 898 OG1 THR A 95 -2.480 8.060 -20.990 1.00 0.00 O ATOM 899 CG2 THR A 95 -1.300 7.020 -19.140 1.00 0.00 C ATOM 0 H THR A 95 1.134 7.381 -19.697 1.00 0.00 H new ATOM 0 HA THR A 95 0.071 8.706 -21.858 1.00 0.00 H new ATOM 0 HB THR A 95 -0.901 6.706 -21.173 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.164 7.371 -20.854 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.079 6.260 -19.086 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.344 6.580 -18.856 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.541 7.835 -18.458 1.00 0.00 H new ATOM 902 N CYS A 96 -0.510 10.310 -19.070 1.00 0.00 N ATOM 903 CA CYS A 96 -0.930 11.600 -18.500 1.00 0.00 C ATOM 904 C CYS A 96 0.110 12.700 -18.810 1.00 0.00 C ATOM 905 O CYS A 96 -0.340 13.830 -19.130 1.00 0.00 O ATOM 906 CB CYS A 96 -1.110 11.380 -17.000 1.00 0.00 C ATOM 907 SG CYS A 96 -2.100 12.670 -16.160 1.00 0.00 S ATOM 908 OXT CYS A 96 1.320 12.450 -18.590 1.00 0.00 O ATOM 0 H CYS A 96 -0.094 9.667 -18.396 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.866 11.944 -18.939 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.587 10.413 -16.842 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.127 11.331 -16.532 1.00 0.00 H new TER 910 CYS A 96