USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 201 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 91 TYR OH : rot 158:sc= 0.0807 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0.0796 USER MOD Set 2.1: A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 TYR OH : rot -179:sc= 2.06 USER MOD Set 3.2: A 72 SER OG : rot 180:sc= -0.0362 USER MOD Set 4.1: A 59 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.2!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 SER OG : rot -109:sc= 0.132 USER MOD Set 5.2: A 50 GLN : amide:sc= 0.211 X(o=0.34,f=0.019) USER MOD Set 6.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= -0.121 USER MOD Set 6.3: A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -131:sc= 0 (180deg=-1.05) USER MOD Single : A 1 SER OG : rot 180:sc= -0.927 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.107) USER MOD Single : A 11 TYR OH : rot 133:sc= 0.444 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0148 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -2.14! C(o=-2.1!,f=-6.5!) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.087) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 48 THR OG1 : rot 42:sc= 0.521 USER MOD Single : A 52 GLN : amide:sc= -4.58! C(o=-4.6!,f=-10!) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.0193 (180deg=0.00768) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 61 MET CE :methyl -157:sc= -0.165 (180deg=-0.656) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -58:sc= 0.966 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 73 SER OG : rot 130:sc= 0.525 USER MOD Single : A 78 THR OG1 : rot 146:sc= -0.602 USER MOD Single : A 82 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.54) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc=-0.00556 (180deg=-0.145) USER MOD Single : A 85 THR OG1 : rot 51:sc= 0.0794 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 168:sc=-0.00877 (180deg=-0.179) USER MOD Single : A 92 SER OG : rot 47:sc= 0.0522 USER MOD Single : A 93 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.49) USER MOD Single : A 95 SER OG : rot 107:sc= 0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.550 9.090 -15.050 1.00 0.00 N ATOM 2 CA SER A 1 15.260 7.830 -15.310 1.00 0.00 C ATOM 3 C SER A 1 14.560 6.580 -14.780 1.00 0.00 C ATOM 4 O SER A 1 14.500 6.320 -13.580 1.00 0.00 O ATOM 5 CB SER A 1 16.710 7.880 -14.830 1.00 0.00 C ATOM 6 OG SER A 1 16.780 8.190 -13.430 1.00 0.00 O ATOM 0 H1 SER A 1 14.490 9.642 -15.929 1.00 0.00 H new ATOM 0 H2 SER A 1 13.591 8.883 -14.705 1.00 0.00 H new ATOM 0 H3 SER A 1 15.066 9.637 -14.332 1.00 0.00 H new ATOM 0 HA SER A 1 15.250 7.737 -16.396 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.192 6.921 -15.018 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.259 8.630 -15.400 1.00 0.00 H new ATOM 0 HG SER A 1 17.718 8.215 -13.147 1.00 0.00 H new ATOM 11 N THR A 2 13.950 5.890 -15.740 1.00 0.00 N ATOM 12 CA THR A 2 13.180 4.650 -15.560 1.00 0.00 C ATOM 13 C THR A 2 13.980 3.420 -15.140 1.00 0.00 C ATOM 14 O THR A 2 13.420 2.460 -14.610 1.00 0.00 O ATOM 15 CB THR A 2 12.440 4.300 -16.860 1.00 0.00 C ATOM 16 OG1 THR A 2 13.330 4.550 -17.960 1.00 0.00 O ATOM 17 CG2 THR A 2 11.120 5.060 -17.000 1.00 0.00 C ATOM 0 H THR A 2 13.977 6.190 -16.714 1.00 0.00 H new ATOM 0 HA THR A 2 12.506 4.877 -14.734 1.00 0.00 H new ATOM 0 HB THR A 2 12.161 3.246 -16.847 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.879 4.332 -18.802 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.635 4.778 -17.935 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.467 4.812 -16.163 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.316 6.132 -17.002 1.00 0.00 H new ATOM 20 N ALA A 3 15.240 3.360 -15.580 1.00 0.00 N ATOM 21 CA ALA A 3 16.200 2.350 -15.100 1.00 0.00 C ATOM 22 C ALA A 3 16.650 2.660 -13.670 1.00 0.00 C ATOM 23 O ALA A 3 17.740 3.150 -13.400 1.00 0.00 O ATOM 24 CB ALA A 3 17.360 2.260 -16.090 1.00 0.00 C ATOM 0 H ALA A 3 15.625 4.002 -16.273 1.00 0.00 H new ATOM 0 HA ALA A 3 15.725 1.370 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.077 1.515 -15.744 1.00 0.00 H new ATOM 0 HB2 ALA A 3 16.980 1.971 -17.070 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.852 3.230 -16.163 1.00 0.00 H new ATOM 26 N ARG A 4 15.690 2.490 -12.770 1.00 0.00 N ATOM 27 CA ARG A 4 15.840 2.800 -11.340 1.00 0.00 C ATOM 28 C ARG A 4 15.050 1.830 -10.450 1.00 0.00 C ATOM 29 O ARG A 4 13.840 1.730 -10.620 1.00 0.00 O ATOM 30 CB ARG A 4 15.370 4.240 -11.120 1.00 0.00 C ATOM 31 CG ARG A 4 16.060 4.930 -9.940 1.00 0.00 C ATOM 32 CD ARG A 4 17.430 5.540 -10.270 1.00 0.00 C ATOM 33 NE ARG A 4 18.430 4.530 -10.620 1.00 0.00 N ATOM 34 CZ ARG A 4 19.480 4.130 -9.890 1.00 0.00 C ATOM 35 NH1 ARG A 4 19.850 4.760 -8.760 1.00 0.00 N ATOM 36 NH2 ARG A 4 20.270 3.150 -10.350 1.00 0.00 N ATOM 0 H ARG A 4 14.767 2.127 -13.009 1.00 0.00 H new ATOM 0 HA ARG A 4 16.887 2.689 -11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 4 15.553 4.817 -12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.293 4.242 -10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 4 15.407 5.718 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 4 16.183 4.206 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 4 17.321 6.240 -11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 4 17.784 6.113 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 4 18.314 4.077 -11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 4 19.325 5.571 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 4 20.655 4.426 -8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 4 20.070 2.714 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 4 21.071 2.840 -9.800 1.00 0.00 H new ATOM 43 N PRO A 5 15.700 1.180 -9.490 1.00 0.00 N ATOM 44 CA PRO A 5 15.040 0.270 -8.550 1.00 0.00 C ATOM 45 C PRO A 5 14.250 0.970 -7.430 1.00 0.00 C ATOM 46 O PRO A 5 14.060 0.430 -6.340 1.00 0.00 O ATOM 47 CB PRO A 5 16.170 -0.600 -8.000 1.00 0.00 C ATOM 48 CG PRO A 5 17.390 0.330 -8.040 1.00 0.00 C ATOM 49 CD PRO A 5 17.160 1.120 -9.330 1.00 0.00 C ATOM 0 HA PRO A 5 14.269 -0.308 -9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.958 -0.940 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.324 -1.491 -8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.433 0.981 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 5 18.326 -0.228 -8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.590 2.119 -9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.630 0.628 -10.182 1.00 0.00 H new ATOM 50 N LEU A 6 13.680 2.120 -7.790 1.00 0.00 N ATOM 51 CA LEU A 6 12.870 2.970 -6.910 1.00 0.00 C ATOM 52 C LEU A 6 11.440 2.960 -7.460 1.00 0.00 C ATOM 53 O LEU A 6 11.100 3.630 -8.440 1.00 0.00 O ATOM 54 CB LEU A 6 13.440 4.390 -6.830 1.00 0.00 C ATOM 55 CG LEU A 6 14.590 4.540 -5.840 1.00 0.00 C ATOM 56 CD1 LEU A 6 15.880 3.850 -6.280 1.00 0.00 C ATOM 57 CD2 LEU A 6 14.890 6.030 -5.660 1.00 0.00 C ATOM 0 H LEU A 6 13.771 2.500 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 6 12.880 2.586 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.785 4.689 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.641 5.076 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 6 14.267 4.062 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.650 4.002 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.698 2.782 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.214 4.273 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.711 6.153 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.169 6.464 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.004 6.536 -5.277 1.00 0.00 H new ATOM 59 N LYS A 7 10.660 2.090 -6.840 1.00 0.00 N ATOM 60 CA LYS A 7 9.390 1.580 -7.370 1.00 0.00 C ATOM 61 C LYS A 7 8.200 2.330 -6.760 1.00 0.00 C ATOM 62 O LYS A 7 7.990 2.310 -5.550 1.00 0.00 O ATOM 63 CB LYS A 7 9.270 0.080 -7.060 1.00 0.00 C ATOM 64 CG LYS A 7 10.420 -0.710 -7.680 1.00 0.00 C ATOM 65 CD LYS A 7 10.420 -2.180 -7.270 1.00 0.00 C ATOM 66 CE LYS A 7 11.580 -2.920 -7.930 1.00 0.00 C ATOM 67 NZ LYS A 7 11.360 -3.110 -9.370 1.00 0.00 N ATOM 0 H LYS A 7 10.893 1.703 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 7 9.378 1.737 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.263 -0.071 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.321 -0.297 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.358 -0.641 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.366 -0.256 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.499 -2.261 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.476 -2.643 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.503 -2.361 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.711 -3.891 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.070 -3.771 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.408 -3.498 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.446 -2.196 -9.858 1.00 0.00 H new ATOM 72 N SER A 8 7.530 3.060 -7.640 1.00 0.00 N ATOM 73 CA SER A 8 6.290 3.790 -7.330 1.00 0.00 C ATOM 74 C SER A 8 5.080 3.040 -7.890 1.00 0.00 C ATOM 75 O SER A 8 4.870 2.950 -9.100 1.00 0.00 O ATOM 76 CB SER A 8 6.290 5.210 -7.890 1.00 0.00 C ATOM 77 OG SER A 8 5.440 6.010 -7.070 1.00 0.00 O ATOM 0 H SER A 8 7.831 3.169 -8.609 1.00 0.00 H new ATOM 0 HA SER A 8 6.231 3.854 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.302 5.616 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.936 5.213 -8.921 1.00 0.00 H new ATOM 0 HG SER A 8 4.627 6.239 -7.567 1.00 0.00 H new ATOM 80 N VAL A 9 4.420 2.360 -6.960 1.00 0.00 N ATOM 81 CA VAL A 9 3.270 1.490 -7.240 1.00 0.00 C ATOM 82 C VAL A 9 1.990 2.000 -6.580 1.00 0.00 C ATOM 83 O VAL A 9 2.010 2.580 -5.500 1.00 0.00 O ATOM 84 CB VAL A 9 3.630 0.030 -6.920 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.900 -0.230 -5.440 1.00 0.00 C ATOM 86 CG2 VAL A 9 2.600 -0.970 -7.450 1.00 0.00 C ATOM 0 H VAL A 9 4.668 2.394 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 9 3.040 1.520 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 9 4.567 -0.132 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.147 -1.282 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.734 0.388 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.012 0.018 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.910 -1.983 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.628 -0.763 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.527 -0.877 -8.534 1.00 0.00 H new ATOM 88 N ASP A 10 0.890 1.840 -7.320 1.00 0.00 N ATOM 89 CA ASP A 10 -0.460 2.210 -6.870 1.00 0.00 C ATOM 90 C ASP A 10 -1.220 0.970 -6.390 1.00 0.00 C ATOM 91 O ASP A 10 -1.530 0.040 -7.130 1.00 0.00 O ATOM 92 CB ASP A 10 -1.230 2.920 -7.980 1.00 0.00 C ATOM 93 CG ASP A 10 -2.420 3.710 -7.430 1.00 0.00 C ATOM 94 OD1 ASP A 10 -3.370 3.070 -6.930 1.00 0.00 O ATOM 95 OD2 ASP A 10 -2.360 4.960 -7.530 1.00 0.00 O ATOM 0 H ASP A 10 0.909 1.445 -8.260 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.364 2.902 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.560 3.595 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.584 2.186 -8.704 1.00 0.00 H new ATOM 97 N TYR A 11 -1.620 1.090 -5.120 1.00 0.00 N ATOM 98 CA TYR A 11 -2.360 0.040 -4.410 1.00 0.00 C ATOM 99 C TYR A 11 -3.860 0.370 -4.300 1.00 0.00 C ATOM 100 O TYR A 11 -4.290 1.510 -4.450 1.00 0.00 O ATOM 101 CB TYR A 11 -1.750 -0.240 -3.040 1.00 0.00 C ATOM 102 CG TYR A 11 -1.540 1.000 -2.170 1.00 0.00 C ATOM 103 CD1 TYR A 11 -2.600 1.490 -1.420 1.00 0.00 C ATOM 104 CD2 TYR A 11 -0.370 1.730 -2.370 1.00 0.00 C ATOM 105 CE1 TYR A 11 -2.520 2.780 -0.900 1.00 0.00 C ATOM 106 CE2 TYR A 11 -0.290 3.020 -1.850 1.00 0.00 C ATOM 107 CZ TYR A 11 -1.380 3.520 -1.150 1.00 0.00 C ATOM 108 OH TYR A 11 -1.390 4.860 -0.880 1.00 0.00 O ATOM 0 H TYR A 11 -1.440 1.919 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.274 -0.871 -5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.395 -0.937 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.790 -0.737 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.474 0.880 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.458 1.304 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.329 3.192 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.599 3.617 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.575 5.101 -0.392 1.00 0.00 H new ATOM 111 N GLU A 12 -4.610 -0.730 -4.300 1.00 0.00 N ATOM 112 CA GLU A 12 -6.080 -0.730 -4.210 1.00 0.00 C ATOM 113 C GLU A 12 -6.520 -1.590 -3.020 1.00 0.00 C ATOM 114 O GLU A 12 -6.720 -2.800 -3.130 1.00 0.00 O ATOM 115 CB GLU A 12 -6.680 -1.260 -5.510 1.00 0.00 C ATOM 116 CG GLU A 12 -6.370 -0.440 -6.770 1.00 0.00 C ATOM 117 CD GLU A 12 -4.950 -0.600 -7.320 1.00 0.00 C ATOM 118 OE1 GLU A 12 -4.440 -1.740 -7.330 1.00 0.00 O ATOM 119 OE2 GLU A 12 -4.410 0.430 -7.780 1.00 0.00 O ATOM 0 H GLU A 12 -4.212 -1.667 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.437 0.289 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.323 -2.278 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.762 -1.316 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.078 -0.721 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.540 0.614 -6.549 1.00 0.00 H new ATOM 121 N VAL A 13 -6.550 -0.940 -1.860 1.00 0.00 N ATOM 122 CA VAL A 13 -6.920 -1.540 -0.560 1.00 0.00 C ATOM 123 C VAL A 13 -8.440 -1.620 -0.420 1.00 0.00 C ATOM 124 O VAL A 13 -9.140 -0.650 -0.140 1.00 0.00 O ATOM 125 CB VAL A 13 -6.280 -0.830 0.640 1.00 0.00 C ATOM 126 CG1 VAL A 13 -6.620 -1.500 1.970 1.00 0.00 C ATOM 127 CG2 VAL A 13 -4.750 -0.750 0.530 1.00 0.00 C ATOM 0 H VAL A 13 -6.312 0.049 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.515 -2.552 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.702 0.175 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.141 -0.956 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.700 -1.493 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.262 -2.529 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.349 -0.238 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.336 -1.757 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.478 -0.198 -0.370 1.00 0.00 H new ATOM 129 N PHE A 14 -8.860 -2.880 -0.470 1.00 0.00 N ATOM 130 CA PHE A 14 -10.240 -3.340 -0.310 1.00 0.00 C ATOM 131 C PHE A 14 -10.420 -3.700 1.170 1.00 0.00 C ATOM 132 O PHE A 14 -10.170 -4.810 1.620 1.00 0.00 O ATOM 133 CB PHE A 14 -10.490 -4.580 -1.180 1.00 0.00 C ATOM 134 CG PHE A 14 -9.900 -4.540 -2.590 1.00 0.00 C ATOM 135 CD1 PHE A 14 -10.310 -3.570 -3.500 1.00 0.00 C ATOM 136 CD2 PHE A 14 -8.970 -5.510 -2.940 1.00 0.00 C ATOM 137 CE1 PHE A 14 -9.770 -3.570 -4.780 1.00 0.00 C ATOM 138 CE2 PHE A 14 -8.430 -5.510 -4.230 1.00 0.00 C ATOM 139 CZ PHE A 14 -8.840 -4.540 -5.130 1.00 0.00 C ATOM 0 H PHE A 14 -8.213 -3.652 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.944 -2.567 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.085 -5.450 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.566 -4.731 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.039 -2.826 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.666 -6.258 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.071 -2.821 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.704 -6.255 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.426 -4.538 -6.128 1.00 0.00 H new ATOM 141 N GLY A 15 -10.580 -2.620 1.930 1.00 0.00 N ATOM 142 CA GLY A 15 -10.910 -2.680 3.370 1.00 0.00 C ATOM 143 C GLY A 15 -12.330 -2.180 3.600 1.00 0.00 C ATOM 144 O GLY A 15 -12.580 -1.310 4.440 1.00 0.00 O ATOM 0 H GLY A 15 -10.486 -1.669 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.813 -3.704 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.205 -2.073 3.939 1.00 0.00 H new ATOM 146 N ARG A 16 -13.270 -2.790 2.880 1.00 0.00 N ATOM 147 CA ARG A 16 -14.680 -2.380 2.860 1.00 0.00 C ATOM 148 C ARG A 16 -15.360 -2.470 4.230 1.00 0.00 C ATOM 149 O ARG A 16 -16.120 -1.580 4.610 1.00 0.00 O ATOM 150 CB ARG A 16 -15.450 -3.210 1.830 1.00 0.00 C ATOM 151 CG ARG A 16 -14.950 -2.980 0.410 1.00 0.00 C ATOM 152 CD ARG A 16 -14.770 -4.290 -0.360 1.00 0.00 C ATOM 153 NE ARG A 16 -13.630 -5.060 0.170 1.00 0.00 N ATOM 154 CZ ARG A 16 -13.690 -6.070 1.040 1.00 0.00 C ATOM 155 NH1 ARG A 16 -14.840 -6.610 1.470 1.00 0.00 N ATOM 156 NH2 ARG A 16 -12.550 -6.640 1.480 1.00 0.00 N ATOM 0 H ARG A 16 -13.075 -3.595 2.284 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.696 -1.327 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.359 -4.268 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.510 -2.960 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.655 -2.342 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.000 -2.447 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.680 -4.886 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.610 -4.076 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.703 -4.794 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.731 -6.249 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.823 -7.382 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.648 -6.299 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.590 -7.412 2.145 1.00 0.00 H new ATOM 163 N VAL A 17 -14.980 -3.490 5.000 1.00 0.00 N ATOM 164 CA VAL A 17 -15.440 -3.680 6.380 1.00 0.00 C ATOM 165 C VAL A 17 -14.700 -2.820 7.410 1.00 0.00 C ATOM 166 O VAL A 17 -14.200 -3.300 8.430 1.00 0.00 O ATOM 167 CB VAL A 17 -15.480 -5.170 6.760 1.00 0.00 C ATOM 168 CG1 VAL A 17 -16.670 -5.860 6.090 1.00 0.00 C ATOM 169 CG2 VAL A 17 -14.180 -5.920 6.500 1.00 0.00 C ATOM 0 H VAL A 17 -14.338 -4.216 4.682 1.00 0.00 H new ATOM 0 HA VAL A 17 -16.465 -3.310 6.409 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.609 -5.202 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.684 -6.914 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.596 -5.386 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.579 -5.773 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.296 -6.963 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.937 -5.869 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.376 -5.466 7.079 1.00 0.00 H new ATOM 171 N GLN A 18 -14.680 -1.530 7.120 1.00 0.00 N ATOM 172 CA GLN A 18 -14.030 -0.460 7.890 1.00 0.00 C ATOM 173 C GLN A 18 -12.550 -0.760 8.180 1.00 0.00 C ATOM 174 O GLN A 18 -11.760 -0.720 7.250 1.00 0.00 O ATOM 175 CB GLN A 18 -14.890 -0.120 9.110 1.00 0.00 C ATOM 176 CG GLN A 18 -15.140 1.390 9.200 1.00 0.00 C ATOM 177 CD GLN A 18 -16.090 1.720 10.350 1.00 0.00 C ATOM 178 OE1 GLN A 18 -15.700 1.780 11.520 1.00 0.00 O ATOM 179 NE2 GLN A 18 -17.370 1.900 10.060 1.00 0.00 N ATOM 0 H GLN A 18 -15.145 -1.169 6.287 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.976 0.449 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.842 -0.647 9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.394 -0.465 10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.194 1.911 9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.561 1.749 8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.686 1.849 9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.040 2.090 10.805 1.00 0.00 H new ATOM 183 N GLY A 19 -12.190 -1.020 9.440 1.00 0.00 N ATOM 184 CA GLY A 19 -10.860 -1.480 9.860 1.00 0.00 C ATOM 185 C GLY A 19 -9.670 -0.530 9.730 1.00 0.00 C ATOM 186 O GLY A 19 -8.900 -0.350 10.680 1.00 0.00 O ATOM 0 H GLY A 19 -12.836 -0.913 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.930 -1.777 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.627 -2.378 9.288 1.00 0.00 H new ATOM 188 N VAL A 20 -9.440 -0.040 8.510 1.00 0.00 N ATOM 189 CA VAL A 20 -8.270 0.750 8.090 1.00 0.00 C ATOM 190 C VAL A 20 -8.240 2.220 8.500 1.00 0.00 C ATOM 191 O VAL A 20 -8.750 3.110 7.810 1.00 0.00 O ATOM 192 CB VAL A 20 -7.960 0.610 6.600 1.00 0.00 C ATOM 193 CG1 VAL A 20 -7.200 -0.690 6.330 1.00 0.00 C ATOM 194 CG2 VAL A 20 -9.160 0.770 5.670 1.00 0.00 C ATOM 0 H VAL A 20 -10.097 -0.189 7.744 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.476 0.285 8.675 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.321 1.458 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.988 -0.773 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.263 -0.686 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.807 -1.539 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.837 0.654 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.906 0.011 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.595 1.760 5.805 1.00 0.00 H new ATOM 196 N CYS A 21 -7.480 2.490 9.560 1.00 0.00 N ATOM 197 CA CYS A 21 -6.990 3.820 9.920 1.00 0.00 C ATOM 198 C CYS A 21 -5.530 3.910 9.480 1.00 0.00 C ATOM 199 O CYS A 21 -4.590 4.160 10.230 1.00 0.00 O ATOM 200 CB CYS A 21 -7.170 4.040 11.420 1.00 0.00 C ATOM 201 SG CYS A 21 -6.700 5.720 11.990 1.00 0.00 S ATOM 0 H CYS A 21 -7.179 1.766 10.213 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.551 4.609 9.419 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.212 3.857 11.681 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.573 3.304 11.959 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.889 5.812 13.273 1.00 0.00 H new ATOM 204 N PHE A 22 -5.410 3.840 8.160 1.00 0.00 N ATOM 205 CA PHE A 22 -4.160 3.740 7.400 1.00 0.00 C ATOM 206 C PHE A 22 -3.150 4.840 7.730 1.00 0.00 C ATOM 207 O PHE A 22 -1.940 4.610 7.720 1.00 0.00 O ATOM 208 CB PHE A 22 -4.530 3.770 5.910 1.00 0.00 C ATOM 209 CG PHE A 22 -3.570 2.980 5.020 1.00 0.00 C ATOM 210 CD1 PHE A 22 -2.490 3.640 4.440 1.00 0.00 C ATOM 211 CD2 PHE A 22 -3.940 1.710 4.600 1.00 0.00 C ATOM 212 CE1 PHE A 22 -1.790 3.030 3.410 1.00 0.00 C ATOM 213 CE2 PHE A 22 -3.240 1.100 3.560 1.00 0.00 C ATOM 214 CZ PHE A 22 -2.180 1.780 2.970 1.00 0.00 C ATOM 0 H PHE A 22 -6.228 3.852 7.551 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.661 2.810 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.537 3.371 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.555 4.806 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.200 4.620 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.764 1.198 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.947 3.528 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.517 0.114 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.650 1.320 2.149 1.00 0.00 H new ATOM 216 N ARG A 23 -3.680 6.010 8.080 1.00 0.00 N ATOM 217 CA ARG A 23 -2.970 7.170 8.620 1.00 0.00 C ATOM 218 C ARG A 23 -1.750 6.850 9.500 1.00 0.00 C ATOM 219 O ARG A 23 -0.620 7.120 9.100 1.00 0.00 O ATOM 220 CB ARG A 23 -3.960 8.010 9.430 1.00 0.00 C ATOM 221 CG ARG A 23 -5.000 8.730 8.560 1.00 0.00 C ATOM 222 CD ARG A 23 -4.370 9.850 7.720 1.00 0.00 C ATOM 223 NE ARG A 23 -3.780 10.880 8.590 1.00 0.00 N ATOM 224 CZ ARG A 23 -4.090 12.180 8.620 1.00 0.00 C ATOM 225 NH1 ARG A 23 -4.990 12.730 7.790 1.00 0.00 N ATOM 226 NH2 ARG A 23 -3.570 12.950 9.580 1.00 0.00 N ATOM 0 H ARG A 23 -4.681 6.185 7.989 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.571 7.703 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.476 7.365 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.408 8.749 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.482 8.009 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.779 9.149 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.602 9.435 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.127 10.299 7.077 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.058 10.569 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.469 12.151 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.195 13.727 7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.946 12.544 10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.797 13.944 9.616 1.00 0.00 H new ATOM 233 N MET A 24 -1.990 6.120 10.590 1.00 0.00 N ATOM 234 CA MET A 24 -0.960 5.760 11.570 1.00 0.00 C ATOM 235 C MET A 24 0.250 5.050 10.950 1.00 0.00 C ATOM 236 O MET A 24 1.400 5.410 11.210 1.00 0.00 O ATOM 237 CB MET A 24 -1.630 4.890 12.640 1.00 0.00 C ATOM 238 CG MET A 24 -0.700 4.410 13.760 1.00 0.00 C ATOM 239 SD MET A 24 0.120 5.760 14.680 1.00 0.00 S ATOM 240 CE MET A 24 1.160 4.790 15.760 1.00 0.00 C ATOM 0 H MET A 24 -2.915 5.757 10.821 1.00 0.00 H new ATOM 0 HA MET A 24 -0.553 6.672 12.005 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.449 5.455 13.085 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.070 4.019 12.155 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.275 3.805 14.461 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.064 3.762 13.331 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.739 5.455 16.401 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.539 4.141 16.378 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.838 4.181 15.162 1.00 0.00 H new ATOM 242 N TYR A 25 -0.050 4.200 9.980 1.00 0.00 N ATOM 243 CA TYR A 25 0.910 3.370 9.230 1.00 0.00 C ATOM 244 C TYR A 25 1.720 4.210 8.250 1.00 0.00 C ATOM 245 O TYR A 25 2.940 4.300 8.380 1.00 0.00 O ATOM 246 CB TYR A 25 0.140 2.280 8.490 1.00 0.00 C ATOM 247 CG TYR A 25 -0.530 1.200 9.340 1.00 0.00 C ATOM 248 CD1 TYR A 25 -0.870 1.430 10.670 1.00 0.00 C ATOM 249 CD2 TYR A 25 -0.770 -0.020 8.720 1.00 0.00 C ATOM 250 CE1 TYR A 25 -1.460 0.420 11.420 1.00 0.00 C ATOM 251 CE2 TYR A 25 -1.360 -1.040 9.450 1.00 0.00 C ATOM 252 CZ TYR A 25 -1.680 -0.800 10.780 1.00 0.00 C ATOM 253 OH TYR A 25 -2.230 -1.800 11.530 1.00 0.00 O ATOM 0 H TYR A 25 -1.012 4.055 9.672 1.00 0.00 H new ATOM 0 HA TYR A 25 1.614 2.919 9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.630 2.760 7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.827 1.790 7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.675 2.393 11.119 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.501 -0.171 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.736 0.573 12.453 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.566 -1.998 8.996 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.323 -2.607 10.982 1.00 0.00 H new ATOM 256 N ALA A 26 0.990 4.950 7.420 1.00 0.00 N ATOM 257 CA ALA A 26 1.530 5.910 6.430 1.00 0.00 C ATOM 258 C ALA A 26 2.470 6.950 7.050 1.00 0.00 C ATOM 259 O ALA A 26 3.530 7.250 6.500 1.00 0.00 O ATOM 260 CB ALA A 26 0.340 6.580 5.740 1.00 0.00 C ATOM 0 H ALA A 26 -0.029 4.905 7.408 1.00 0.00 H new ATOM 0 HA ALA A 26 2.143 5.368 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.703 7.296 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.266 5.823 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.266 7.100 6.482 1.00 0.00 H new ATOM 262 N GLU A 27 2.120 7.380 8.260 1.00 0.00 N ATOM 263 CA GLU A 27 2.990 8.210 9.110 1.00 0.00 C ATOM 264 C GLU A 27 4.150 7.420 9.710 1.00 0.00 C ATOM 265 O GLU A 27 5.160 7.210 9.030 1.00 0.00 O ATOM 266 CB GLU A 27 2.130 8.930 10.160 1.00 0.00 C ATOM 267 CG GLU A 27 1.400 10.160 9.650 1.00 0.00 C ATOM 268 CD GLU A 27 0.070 9.880 8.950 1.00 0.00 C ATOM 269 OE1 GLU A 27 0.090 9.640 7.720 1.00 0.00 O ATOM 270 OE2 GLU A 27 -0.970 9.940 9.650 1.00 0.00 O ATOM 0 H GLU A 27 1.219 7.164 8.687 1.00 0.00 H new ATOM 0 HA GLU A 27 3.473 8.967 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.396 8.226 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.769 9.223 10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.217 10.829 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.053 10.690 8.957 1.00 0.00 H new ATOM 272 N ASP A 28 3.910 6.730 10.820 1.00 0.00 N ATOM 273 CA ASP A 28 4.930 6.080 11.640 1.00 0.00 C ATOM 274 C ASP A 28 5.680 4.950 10.930 1.00 0.00 C ATOM 275 O ASP A 28 6.880 5.040 10.710 1.00 0.00 O ATOM 276 CB ASP A 28 4.280 5.600 12.940 1.00 0.00 C ATOM 277 CG ASP A 28 5.240 4.860 13.880 1.00 0.00 C ATOM 278 OD1 ASP A 28 5.960 5.550 14.620 1.00 0.00 O ATOM 279 OD2 ASP A 28 5.230 3.610 13.810 1.00 0.00 O ATOM 0 H ASP A 28 2.967 6.603 11.188 1.00 0.00 H new ATOM 0 HA ASP A 28 5.701 6.820 11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.864 6.460 13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.447 4.941 12.696 1.00 0.00 H new ATOM 281 N GLU A 29 4.930 3.940 10.500 1.00 0.00 N ATOM 282 CA GLU A 29 5.510 2.700 9.950 1.00 0.00 C ATOM 283 C GLU A 29 6.270 2.930 8.640 1.00 0.00 C ATOM 284 O GLU A 29 7.450 2.570 8.550 1.00 0.00 O ATOM 285 CB GLU A 29 4.420 1.640 9.770 1.00 0.00 C ATOM 286 CG GLU A 29 3.980 1.070 11.120 1.00 0.00 C ATOM 287 CD GLU A 29 2.660 0.290 11.060 1.00 0.00 C ATOM 288 OE1 GLU A 29 2.430 -0.430 10.060 1.00 0.00 O ATOM 289 OE2 GLU A 29 1.880 0.470 12.010 1.00 0.00 O ATOM 0 H GLU A 29 3.910 3.948 10.519 1.00 0.00 H new ATOM 0 HA GLU A 29 6.243 2.341 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.562 2.078 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.792 0.835 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.763 0.413 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.876 1.888 11.833 1.00 0.00 H new ATOM 291 N ALA A 30 5.680 3.720 7.750 1.00 0.00 N ATOM 292 CA ALA A 30 6.290 4.070 6.460 1.00 0.00 C ATOM 293 C ALA A 30 7.590 4.860 6.600 1.00 0.00 C ATOM 294 O ALA A 30 8.590 4.490 5.980 1.00 0.00 O ATOM 295 CB ALA A 30 5.280 4.860 5.620 1.00 0.00 C ATOM 0 H ALA A 30 4.762 4.140 7.898 1.00 0.00 H new ATOM 0 HA ALA A 30 6.552 3.136 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.729 5.122 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.392 4.251 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.999 5.770 6.150 1.00 0.00 H new ATOM 297 N ARG A 31 7.600 5.830 7.500 1.00 0.00 N ATOM 298 CA ARG A 31 8.810 6.570 7.890 1.00 0.00 C ATOM 299 C ARG A 31 9.930 5.610 8.290 1.00 0.00 C ATOM 300 O ARG A 31 10.920 5.480 7.560 1.00 0.00 O ATOM 301 CB ARG A 31 8.440 7.500 9.050 1.00 0.00 C ATOM 302 CG ARG A 31 9.570 8.480 9.400 1.00 0.00 C ATOM 303 CD ARG A 31 9.590 8.780 10.910 1.00 0.00 C ATOM 304 NE ARG A 31 10.120 7.620 11.640 1.00 0.00 N ATOM 305 CZ ARG A 31 9.490 6.900 12.570 1.00 0.00 C ATOM 306 NH1 ARG A 31 8.240 7.190 12.970 1.00 0.00 N ATOM 307 NH2 ARG A 31 10.100 5.860 13.150 1.00 0.00 N ATOM 0 H ARG A 31 6.761 6.137 7.992 1.00 0.00 H new ATOM 0 HA ARG A 31 9.180 7.155 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.543 8.062 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.197 6.902 9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.529 8.059 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.438 9.407 8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.205 9.658 11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.583 9.011 11.258 1.00 0.00 H new ATOM 0 HE ARG A 31 11.072 7.334 11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.744 7.981 12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.787 6.619 13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.053 5.613 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.612 5.314 13.860 1.00 0.00 H new ATOM 314 N LYS A 32 9.610 4.750 9.260 1.00 0.00 N ATOM 315 CA LYS A 32 10.490 3.730 9.830 1.00 0.00 C ATOM 316 C LYS A 32 11.050 2.730 8.820 1.00 0.00 C ATOM 317 O LYS A 32 12.230 2.370 8.910 1.00 0.00 O ATOM 318 CB LYS A 32 9.670 3.040 10.930 1.00 0.00 C ATOM 319 CG LYS A 32 10.520 2.350 12.000 1.00 0.00 C ATOM 320 CD LYS A 32 9.620 1.950 13.160 1.00 0.00 C ATOM 321 CE LYS A 32 10.440 1.390 14.330 1.00 0.00 C ATOM 322 NZ LYS A 32 9.540 1.120 15.470 1.00 0.00 N ATOM 0 H LYS A 32 8.685 4.747 9.689 1.00 0.00 H new ATOM 0 HA LYS A 32 11.389 4.206 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.030 3.780 11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.013 2.301 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.011 1.471 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.307 3.020 12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.047 2.815 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.901 1.202 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.948 0.474 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.212 2.102 14.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.092 0.740 16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.075 2.003 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.819 0.426 15.186 1.00 0.00 H new ATOM 327 N ILE A 33 10.230 2.280 7.870 1.00 0.00 N ATOM 328 CA ILE A 33 10.640 1.370 6.790 1.00 0.00 C ATOM 329 C ILE A 33 11.540 2.030 5.750 1.00 0.00 C ATOM 330 O ILE A 33 12.430 1.380 5.200 1.00 0.00 O ATOM 331 CB ILE A 33 9.430 0.680 6.150 1.00 0.00 C ATOM 332 CG1 ILE A 33 8.490 0.010 7.160 1.00 0.00 C ATOM 333 CG2 ILE A 33 9.800 -0.310 5.050 1.00 0.00 C ATOM 334 CD1 ILE A 33 9.110 -0.980 8.140 1.00 0.00 C ATOM 0 H ILE A 33 9.245 2.540 7.825 1.00 0.00 H new ATOM 0 HA ILE A 33 11.253 0.599 7.258 1.00 0.00 H new ATOM 0 HB ILE A 33 8.886 1.505 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.000 0.794 7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.711 -0.510 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.893 -0.759 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.334 0.212 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.438 -1.091 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.335 -1.378 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.573 -1.798 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.866 -0.473 8.739 1.00 0.00 H new ATOM 336 N GLY A 34 11.370 3.330 5.550 1.00 0.00 N ATOM 337 CA GLY A 34 12.010 4.100 4.470 1.00 0.00 C ATOM 338 C GLY A 34 11.120 4.240 3.240 1.00 0.00 C ATOM 339 O GLY A 34 11.600 4.240 2.100 1.00 0.00 O ATOM 0 H GLY A 34 10.769 3.901 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.269 5.092 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.942 3.613 4.185 1.00 0.00 H new ATOM 341 N VAL A 35 9.830 4.430 3.490 1.00 0.00 N ATOM 342 CA VAL A 35 8.770 4.520 2.480 1.00 0.00 C ATOM 343 C VAL A 35 8.200 5.940 2.380 1.00 0.00 C ATOM 344 O VAL A 35 7.990 6.660 3.350 1.00 0.00 O ATOM 345 CB VAL A 35 7.730 3.430 2.780 1.00 0.00 C ATOM 346 CG1 VAL A 35 6.360 3.600 2.120 1.00 0.00 C ATOM 347 CG2 VAL A 35 8.290 2.050 2.420 1.00 0.00 C ATOM 0 H VAL A 35 9.474 4.530 4.441 1.00 0.00 H new ATOM 0 HA VAL A 35 9.167 4.331 1.483 1.00 0.00 H new ATOM 0 HB VAL A 35 7.547 3.529 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.713 2.771 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.913 4.539 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.477 3.612 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.543 1.286 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.538 2.023 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.188 1.857 3.007 1.00 0.00 H new ATOM 349 N VAL A 36 7.940 6.260 1.120 1.00 0.00 N ATOM 350 CA VAL A 36 7.520 7.570 0.580 1.00 0.00 C ATOM 351 C VAL A 36 6.240 7.440 -0.250 1.00 0.00 C ATOM 352 O VAL A 36 5.860 6.350 -0.650 1.00 0.00 O ATOM 353 CB VAL A 36 8.740 8.080 -0.200 1.00 0.00 C ATOM 354 CG1 VAL A 36 8.460 9.110 -1.290 1.00 0.00 C ATOM 355 CG2 VAL A 36 9.830 8.590 0.740 1.00 0.00 C ATOM 0 H VAL A 36 8.020 5.563 0.380 1.00 0.00 H new ATOM 0 HA VAL A 36 7.246 8.290 1.351 1.00 0.00 H new ATOM 0 HB VAL A 36 9.086 7.195 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.396 9.395 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.787 8.681 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.997 9.992 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.679 8.943 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.437 9.410 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.153 7.781 1.396 1.00 0.00 H new ATOM 357 N GLY A 37 5.520 8.550 -0.360 1.00 0.00 N ATOM 358 CA GLY A 37 4.350 8.690 -1.240 1.00 0.00 C ATOM 359 C GLY A 37 3.200 9.460 -0.590 1.00 0.00 C ATOM 360 O GLY A 37 3.400 10.300 0.290 1.00 0.00 O ATOM 0 H GLY A 37 5.731 9.398 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.650 9.201 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.999 7.699 -1.528 1.00 0.00 H new ATOM 362 N TRP A 38 2.000 9.080 -1.020 1.00 0.00 N ATOM 363 CA TRP A 38 0.720 9.670 -0.600 1.00 0.00 C ATOM 364 C TRP A 38 -0.420 8.660 -0.730 1.00 0.00 C ATOM 365 O TRP A 38 -0.460 7.870 -1.680 1.00 0.00 O ATOM 366 CB TRP A 38 0.400 10.920 -1.420 1.00 0.00 C ATOM 367 CG TRP A 38 0.160 10.660 -2.910 1.00 0.00 C ATOM 368 CD1 TRP A 38 1.100 10.560 -3.840 1.00 0.00 C ATOM 369 CD2 TRP A 38 -1.060 10.400 -3.530 1.00 0.00 C ATOM 370 NE1 TRP A 38 0.550 10.250 -5.010 1.00 0.00 N ATOM 371 CE2 TRP A 38 -0.770 10.140 -4.860 1.00 0.00 C ATOM 372 CE3 TRP A 38 -2.370 10.390 -3.070 1.00 0.00 C ATOM 373 CZ2 TRP A 38 -1.780 9.850 -5.770 1.00 0.00 C ATOM 374 CZ3 TRP A 38 -3.390 10.120 -3.990 1.00 0.00 C ATOM 375 CH2 TRP A 38 -3.100 9.850 -5.320 1.00 0.00 C ATOM 0 H TRP A 38 1.881 8.325 -1.696 1.00 0.00 H new ATOM 0 HA TRP A 38 0.818 9.952 0.448 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.486 11.397 -1.000 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.223 11.627 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.156 10.708 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.058 10.117 -5.885 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.596 10.585 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.548 9.630 -6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.418 10.122 -3.660 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.902 9.638 -6.011 1.00 0.00 H new ATOM 378 N VAL A 39 -1.380 8.760 0.180 1.00 0.00 N ATOM 379 CA VAL A 39 -2.530 7.840 0.270 1.00 0.00 C ATOM 380 C VAL A 39 -3.830 8.620 0.050 1.00 0.00 C ATOM 381 O VAL A 39 -3.970 9.760 0.500 1.00 0.00 O ATOM 382 CB VAL A 39 -2.590 7.140 1.630 1.00 0.00 C ATOM 383 CG1 VAL A 39 -3.440 5.880 1.530 1.00 0.00 C ATOM 384 CG2 VAL A 39 -1.240 6.740 2.230 1.00 0.00 C ATOM 0 H VAL A 39 -1.391 9.490 0.892 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.408 7.079 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.020 7.888 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.477 5.388 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.450 6.146 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.002 5.203 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.399 6.253 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.731 6.052 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.627 7.630 2.371 1.00 0.00 H new ATOM 386 N LYS A 40 -4.800 7.990 -0.600 1.00 0.00 N ATOM 387 CA LYS A 40 -6.140 8.560 -0.810 1.00 0.00 C ATOM 388 C LYS A 40 -7.250 7.570 -0.470 1.00 0.00 C ATOM 389 O LYS A 40 -7.240 6.420 -0.900 1.00 0.00 O ATOM 390 CB LYS A 40 -6.300 9.010 -2.270 1.00 0.00 C ATOM 391 CG LYS A 40 -7.500 9.940 -2.440 1.00 0.00 C ATOM 392 CD LYS A 40 -8.000 10.020 -3.880 1.00 0.00 C ATOM 393 CE LYS A 40 -9.250 10.900 -3.940 1.00 0.00 C ATOM 394 NZ LYS A 40 -9.880 10.810 -5.260 1.00 0.00 N ATOM 0 H LYS A 40 -4.685 7.060 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.231 9.414 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.394 9.520 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.422 8.136 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.312 9.596 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.228 10.939 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.222 10.431 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.228 9.021 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.958 10.589 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.983 11.935 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.727 11.414 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.208 11.128 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.153 9.824 -5.448 1.00 0.00 H new ATOM 399 N ASN A 41 -8.280 8.090 0.210 1.00 0.00 N ATOM 400 CA ASN A 41 -9.560 7.410 0.430 1.00 0.00 C ATOM 401 C ASN A 41 -10.570 7.830 -0.630 1.00 0.00 C ATOM 402 O ASN A 41 -11.270 8.840 -0.520 1.00 0.00 O ATOM 403 CB ASN A 41 -10.070 7.640 1.860 1.00 0.00 C ATOM 404 CG ASN A 41 -9.940 9.070 2.380 1.00 0.00 C ATOM 405 OD1 ASN A 41 -8.910 9.500 2.900 1.00 0.00 O ATOM 406 ND2 ASN A 41 -10.940 9.920 2.130 1.00 0.00 N ATOM 0 H ASN A 41 -8.244 9.018 0.632 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.412 6.335 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.120 7.349 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.527 6.976 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.843 10.907 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.801 9.582 1.700 1.00 0.00 H new ATOM 410 N THR A 42 -10.630 7.040 -1.690 1.00 0.00 N ATOM 411 CA THR A 42 -11.350 7.420 -2.920 1.00 0.00 C ATOM 412 C THR A 42 -12.870 7.200 -2.840 1.00 0.00 C ATOM 413 O THR A 42 -13.350 6.330 -2.120 1.00 0.00 O ATOM 414 CB THR A 42 -10.730 6.780 -4.160 1.00 0.00 C ATOM 415 OG1 THR A 42 -11.210 7.480 -5.320 1.00 0.00 O ATOM 416 CG2 THR A 42 -10.980 5.280 -4.320 1.00 0.00 C ATOM 0 H THR A 42 -10.188 6.122 -1.734 1.00 0.00 H new ATOM 0 HA THR A 42 -11.226 8.499 -3.017 1.00 0.00 H new ATOM 0 HB THR A 42 -9.650 6.869 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.820 7.083 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.498 4.926 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.569 4.749 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.052 5.094 -4.382 1.00 0.00 H new ATOM 419 N SER A 43 -13.540 7.850 -3.780 1.00 0.00 N ATOM 420 CA SER A 43 -14.990 7.780 -4.010 1.00 0.00 C ATOM 421 C SER A 43 -15.520 6.360 -4.190 1.00 0.00 C ATOM 422 O SER A 43 -16.640 6.050 -3.780 1.00 0.00 O ATOM 423 CB SER A 43 -15.330 8.590 -5.270 1.00 0.00 C ATOM 424 OG SER A 43 -14.510 8.140 -6.350 1.00 0.00 O ATOM 0 H SER A 43 -13.072 8.473 -4.439 1.00 0.00 H new ATOM 0 HA SER A 43 -15.467 8.186 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.384 8.469 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.165 9.652 -5.090 1.00 0.00 H new ATOM 0 HG SER A 43 -14.723 8.652 -7.158 1.00 0.00 H new ATOM 427 N LYS A 44 -14.710 5.510 -4.820 1.00 0.00 N ATOM 428 CA LYS A 44 -14.970 4.070 -4.990 1.00 0.00 C ATOM 429 C LYS A 44 -14.970 3.230 -3.710 1.00 0.00 C ATOM 430 O LYS A 44 -15.080 2.010 -3.770 1.00 0.00 O ATOM 431 CB LYS A 44 -13.960 3.490 -5.980 1.00 0.00 C ATOM 432 CG LYS A 44 -14.090 4.030 -7.400 1.00 0.00 C ATOM 433 CD LYS A 44 -15.390 3.580 -8.080 1.00 0.00 C ATOM 434 CE LYS A 44 -15.500 4.100 -9.510 1.00 0.00 C ATOM 435 NZ LYS A 44 -15.640 5.570 -9.530 1.00 0.00 N ATOM 0 H LYS A 44 -13.829 5.806 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.993 4.010 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.953 3.696 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.074 2.406 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.054 5.119 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.238 3.695 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.437 2.491 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.243 3.933 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.615 3.808 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.359 3.643 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.865 5.884 -10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.405 5.855 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.748 6.008 -9.223 1.00 0.00 H new ATOM 440 N GLY A 45 -14.700 3.870 -2.570 1.00 0.00 N ATOM 441 CA GLY A 45 -14.610 3.230 -1.240 1.00 0.00 C ATOM 442 C GLY A 45 -13.170 2.860 -0.890 1.00 0.00 C ATOM 443 O GLY A 45 -12.710 3.040 0.240 1.00 0.00 O ATOM 0 H GLY A 45 -14.532 4.876 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.007 3.906 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.231 2.334 -1.224 1.00 0.00 H new ATOM 445 N THR A 46 -12.470 2.350 -1.900 1.00 0.00 N ATOM 446 CA THR A 46 -11.080 1.870 -1.860 1.00 0.00 C ATOM 447 C THR A 46 -10.090 2.890 -1.290 1.00 0.00 C ATOM 448 O THR A 46 -10.090 4.070 -1.630 1.00 0.00 O ATOM 449 CB THR A 46 -10.600 1.520 -3.270 1.00 0.00 C ATOM 450 OG1 THR A 46 -11.720 1.310 -4.140 1.00 0.00 O ATOM 451 CG2 THR A 46 -9.720 0.270 -3.260 1.00 0.00 C ATOM 0 H THR A 46 -12.879 2.252 -2.829 1.00 0.00 H new ATOM 0 HA THR A 46 -11.097 1.000 -1.203 1.00 0.00 H new ATOM 0 HB THR A 46 -10.008 2.359 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.399 1.089 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.394 0.046 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.848 0.444 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.289 -0.573 -2.868 1.00 0.00 H new ATOM 454 N VAL A 47 -9.160 2.350 -0.510 1.00 0.00 N ATOM 455 CA VAL A 47 -7.990 3.090 -0.030 1.00 0.00 C ATOM 456 C VAL A 47 -6.860 2.860 -1.040 1.00 0.00 C ATOM 457 O VAL A 47 -6.340 1.770 -1.250 1.00 0.00 O ATOM 458 CB VAL A 47 -7.620 2.700 1.400 1.00 0.00 C ATOM 459 CG1 VAL A 47 -6.340 3.390 1.890 1.00 0.00 C ATOM 460 CG2 VAL A 47 -8.750 3.050 2.370 1.00 0.00 C ATOM 0 H VAL A 47 -9.193 1.382 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.202 4.158 0.029 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.451 1.623 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.126 3.076 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.507 3.114 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.477 4.471 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.463 2.763 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.939 4.123 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.655 2.514 2.083 1.00 0.00 H new ATOM 462 N THR A 48 -6.680 3.920 -1.830 1.00 0.00 N ATOM 463 CA THR A 48 -5.730 4.000 -2.950 1.00 0.00 C ATOM 464 C THR A 48 -4.580 4.950 -2.600 1.00 0.00 C ATOM 465 O THR A 48 -4.370 5.320 -1.450 1.00 0.00 O ATOM 466 CB THR A 48 -6.500 4.360 -4.230 1.00 0.00 C ATOM 467 OG1 THR A 48 -5.650 4.340 -5.380 1.00 0.00 O ATOM 468 CG2 THR A 48 -7.170 5.730 -4.160 1.00 0.00 C ATOM 0 H THR A 48 -7.211 4.782 -1.705 1.00 0.00 H new ATOM 0 HA THR A 48 -5.253 3.038 -3.139 1.00 0.00 H new ATOM 0 HB THR A 48 -7.273 3.596 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.054 3.563 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.697 5.925 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.879 5.746 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.412 6.498 -4.004 1.00 0.00 H new ATOM 471 N GLY A 49 -3.850 5.350 -3.640 1.00 0.00 N ATOM 472 CA GLY A 49 -2.660 6.210 -3.590 1.00 0.00 C ATOM 473 C GLY A 49 -1.450 5.500 -4.190 1.00 0.00 C ATOM 474 O GLY A 49 -1.520 4.380 -4.670 1.00 0.00 O ATOM 0 H GLY A 49 -4.082 5.070 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.851 7.135 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.449 6.486 -2.557 1.00 0.00 H new ATOM 476 N GLN A 50 -0.330 6.200 -4.040 1.00 0.00 N ATOM 477 CA GLN A 50 0.980 5.780 -4.560 1.00 0.00 C ATOM 478 C GLN A 50 2.050 5.750 -3.460 1.00 0.00 C ATOM 479 O GLN A 50 2.210 6.680 -2.680 1.00 0.00 O ATOM 480 CB GLN A 50 1.470 6.670 -5.700 1.00 0.00 C ATOM 481 CG GLN A 50 0.860 6.240 -7.040 1.00 0.00 C ATOM 482 CD GLN A 50 1.560 6.960 -8.200 1.00 0.00 C ATOM 483 OE1 GLN A 50 2.750 6.820 -8.430 1.00 0.00 O ATOM 484 NE2 GLN A 50 0.790 7.750 -8.950 1.00 0.00 N ATOM 0 H GLN A 50 -0.300 7.092 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 50 0.829 4.771 -4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.207 7.708 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.557 6.623 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.957 5.161 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.206 6.468 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.202 7.848 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.193 8.256 -9.739 1.00 0.00 H new ATOM 488 N VAL A 51 2.770 4.640 -3.520 1.00 0.00 N ATOM 489 CA VAL A 51 3.910 4.320 -2.640 1.00 0.00 C ATOM 490 C VAL A 51 5.190 4.190 -3.470 1.00 0.00 C ATOM 491 O VAL A 51 5.310 3.320 -4.340 1.00 0.00 O ATOM 492 CB VAL A 51 3.590 3.100 -1.780 1.00 0.00 C ATOM 493 CG1 VAL A 51 3.220 1.850 -2.580 1.00 0.00 C ATOM 494 CG2 VAL A 51 4.720 2.780 -0.800 1.00 0.00 C ATOM 0 H VAL A 51 2.579 3.905 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 51 4.089 5.134 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 51 2.700 3.386 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.007 1.029 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.338 2.054 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.051 1.575 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.451 1.905 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.636 2.575 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.880 3.631 -0.138 1.00 0.00 H new ATOM 496 N GLN A 52 6.100 5.100 -3.150 1.00 0.00 N ATOM 497 CA GLN A 52 7.490 5.110 -3.650 1.00 0.00 C ATOM 498 C GLN A 52 8.390 4.570 -2.530 1.00 0.00 C ATOM 499 O GLN A 52 8.270 4.930 -1.360 1.00 0.00 O ATOM 500 CB GLN A 52 7.970 6.520 -4.010 1.00 0.00 C ATOM 501 CG GLN A 52 8.480 6.690 -5.450 1.00 0.00 C ATOM 502 CD GLN A 52 9.640 5.810 -5.920 1.00 0.00 C ATOM 503 OE1 GLN A 52 9.870 4.670 -5.520 1.00 0.00 O ATOM 504 NE2 GLN A 52 10.500 6.340 -6.780 1.00 0.00 N ATOM 0 H GLN A 52 5.898 5.876 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 52 7.535 4.501 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.149 7.218 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.768 6.801 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.639 6.518 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.781 7.730 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.348 7.283 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.313 5.804 -7.084 1.00 0.00 H new ATOM 508 N GLY A 53 9.220 3.610 -2.930 1.00 0.00 N ATOM 509 CA GLY A 53 10.230 2.970 -2.090 1.00 0.00 C ATOM 510 C GLY A 53 11.280 2.270 -2.950 1.00 0.00 C ATOM 511 O GLY A 53 10.970 1.850 -4.060 1.00 0.00 O ATOM 0 H GLY A 53 9.208 3.243 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.710 3.716 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.754 2.247 -1.427 1.00 0.00 H new ATOM 513 N PRO A 54 12.530 2.180 -2.500 1.00 0.00 N ATOM 514 CA PRO A 54 13.510 1.290 -3.130 1.00 0.00 C ATOM 515 C PRO A 54 13.090 -0.170 -2.930 1.00 0.00 C ATOM 516 O PRO A 54 12.390 -0.480 -1.960 1.00 0.00 O ATOM 517 CB PRO A 54 14.830 1.580 -2.420 1.00 0.00 C ATOM 518 CG PRO A 54 14.670 3.030 -1.960 1.00 0.00 C ATOM 519 CD PRO A 54 13.190 3.110 -1.570 1.00 0.00 C ATOM 0 HA PRO A 54 13.592 1.453 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.991 0.906 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.682 1.462 -3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.322 3.260 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.916 3.734 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.034 2.816 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.803 4.123 -1.676 1.00 0.00 H new ATOM 520 N GLU A 55 13.380 -1.000 -3.920 1.00 0.00 N ATOM 521 CA GLU A 55 13.120 -2.440 -3.970 1.00 0.00 C ATOM 522 C GLU A 55 12.840 -3.140 -2.640 1.00 0.00 C ATOM 523 O GLU A 55 11.700 -3.530 -2.380 1.00 0.00 O ATOM 524 CB GLU A 55 14.250 -3.110 -4.770 1.00 0.00 C ATOM 525 CG GLU A 55 14.210 -4.630 -4.840 1.00 0.00 C ATOM 526 CD GLU A 55 13.080 -5.210 -5.700 1.00 0.00 C ATOM 527 OE1 GLU A 55 11.980 -5.440 -5.160 1.00 0.00 O ATOM 528 OE2 GLU A 55 13.370 -5.470 -6.890 1.00 0.00 O ATOM 0 H GLU A 55 13.835 -0.668 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 55 12.161 -2.558 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.229 -2.719 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.203 -2.812 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.163 -4.986 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.114 -5.023 -3.828 1.00 0.00 H new ATOM 530 N GLU A 56 13.820 -3.110 -1.740 1.00 0.00 N ATOM 531 CA GLU A 56 13.720 -3.740 -0.420 1.00 0.00 C ATOM 532 C GLU A 56 12.610 -3.210 0.490 1.00 0.00 C ATOM 533 O GLU A 56 11.840 -3.990 1.040 1.00 0.00 O ATOM 534 CB GLU A 56 15.070 -3.810 0.310 1.00 0.00 C ATOM 535 CG GLU A 56 15.790 -2.490 0.590 1.00 0.00 C ATOM 536 CD GLU A 56 16.570 -1.950 -0.610 1.00 0.00 C ATOM 537 OE1 GLU A 56 15.930 -1.300 -1.460 1.00 0.00 O ATOM 538 OE2 GLU A 56 17.790 -2.250 -0.680 1.00 0.00 O ATOM 0 H GLU A 56 14.713 -2.645 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 56 13.411 -4.758 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.912 -4.315 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.738 -4.440 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.057 -1.745 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.476 -2.630 1.425 1.00 0.00 H new ATOM 540 N LYS A 57 12.420 -1.900 0.470 1.00 0.00 N ATOM 541 CA LYS A 57 11.330 -1.210 1.180 1.00 0.00 C ATOM 542 C LYS A 57 9.960 -1.580 0.610 1.00 0.00 C ATOM 543 O LYS A 57 9.010 -1.810 1.350 1.00 0.00 O ATOM 544 CB LYS A 57 11.490 0.310 1.100 1.00 0.00 C ATOM 545 CG LYS A 57 12.600 0.940 1.950 1.00 0.00 C ATOM 546 CD LYS A 57 14.020 0.710 1.410 1.00 0.00 C ATOM 547 CE LYS A 57 15.060 1.680 1.970 1.00 0.00 C ATOM 548 NZ LYS A 57 15.270 1.510 3.410 1.00 0.00 N ATOM 0 H LYS A 57 13.027 -1.265 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 57 11.389 -1.534 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.668 0.577 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.543 0.766 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.421 2.013 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.539 0.538 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.326 -0.310 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.004 0.797 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.006 1.534 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.741 2.703 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.879 2.275 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.353 1.541 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.727 0.593 3.588 1.00 0.00 H new ATOM 553 N VAL A 58 9.890 -1.700 -0.710 1.00 0.00 N ATOM 554 CA VAL A 58 8.690 -2.150 -1.440 1.00 0.00 C ATOM 555 C VAL A 58 8.280 -3.570 -1.060 1.00 0.00 C ATOM 556 O VAL A 58 7.100 -3.840 -0.840 1.00 0.00 O ATOM 557 CB VAL A 58 8.890 -1.950 -2.950 1.00 0.00 C ATOM 558 CG1 VAL A 58 7.850 -2.620 -3.840 1.00 0.00 C ATOM 559 CG2 VAL A 58 8.920 -0.460 -3.280 1.00 0.00 C ATOM 0 H VAL A 58 10.676 -1.485 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 58 7.845 -1.530 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 58 9.840 -2.437 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.082 -2.418 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.862 -3.696 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.861 -2.226 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.062 -0.328 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.978 -0.002 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.742 0.015 -2.744 1.00 0.00 H new ATOM 561 N ASN A 59 9.260 -4.470 -0.940 1.00 0.00 N ATOM 562 CA ASN A 59 9.050 -5.880 -0.600 1.00 0.00 C ATOM 563 C ASN A 59 8.280 -6.150 0.690 1.00 0.00 C ATOM 564 O ASN A 59 7.330 -6.930 0.710 1.00 0.00 O ATOM 565 CB ASN A 59 10.390 -6.630 -0.600 1.00 0.00 C ATOM 566 CG ASN A 59 11.080 -6.600 -1.970 1.00 0.00 C ATOM 567 OD1 ASN A 59 12.270 -6.350 -2.100 1.00 0.00 O ATOM 568 ND2 ASN A 59 10.330 -6.830 -3.040 1.00 0.00 N ATOM 0 H ASN A 59 10.242 -4.234 -1.079 1.00 0.00 H new ATOM 0 HA ASN A 59 8.396 -6.260 -1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.050 -6.187 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.223 -7.666 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.746 -6.798 -3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.337 -7.039 -2.932 1.00 0.00 H new ATOM 572 N SER A 60 8.670 -5.440 1.750 1.00 0.00 N ATOM 573 CA SER A 60 7.960 -5.460 3.040 1.00 0.00 C ATOM 574 C SER A 60 6.590 -4.780 2.940 1.00 0.00 C ATOM 575 O SER A 60 5.580 -5.410 3.250 1.00 0.00 O ATOM 576 CB SER A 60 8.830 -4.790 4.100 1.00 0.00 C ATOM 577 OG SER A 60 9.270 -3.520 3.610 1.00 0.00 O ATOM 0 H SER A 60 9.489 -4.832 1.743 1.00 0.00 H new ATOM 0 HA SER A 60 7.777 -6.496 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.266 -4.662 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.688 -5.420 4.336 1.00 0.00 H new ATOM 0 HG SER A 60 9.828 -3.084 4.287 1.00 0.00 H new ATOM 580 N MET A 61 6.570 -3.600 2.330 1.00 0.00 N ATOM 581 CA MET A 61 5.370 -2.800 2.050 1.00 0.00 C ATOM 582 C MET A 61 4.240 -3.580 1.370 1.00 0.00 C ATOM 583 O MET A 61 3.120 -3.590 1.870 1.00 0.00 O ATOM 584 CB MET A 61 5.810 -1.560 1.260 1.00 0.00 C ATOM 585 CG MET A 61 4.720 -0.590 0.820 1.00 0.00 C ATOM 586 SD MET A 61 3.650 -1.150 -0.560 1.00 0.00 S ATOM 587 CE MET A 61 4.830 -1.350 -1.880 1.00 0.00 C ATOM 0 H MET A 61 7.424 -3.150 2.000 1.00 0.00 H new ATOM 0 HA MET A 61 4.919 -2.498 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.527 -1.009 1.869 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.341 -1.898 0.370 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.086 -0.374 1.680 1.00 0.00 H new ATOM 0 HG3 MET A 61 5.193 0.348 0.529 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.318 -1.282 -2.840 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.585 -0.566 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.311 -2.325 -1.794 1.00 0.00 H new ATOM 589 N LYS A 62 4.550 -4.250 0.270 1.00 0.00 N ATOM 590 CA LYS A 62 3.570 -5.030 -0.500 1.00 0.00 C ATOM 591 C LYS A 62 2.890 -6.150 0.300 1.00 0.00 C ATOM 592 O LYS A 62 1.670 -6.280 0.270 1.00 0.00 O ATOM 593 CB LYS A 62 4.130 -5.520 -1.840 1.00 0.00 C ATOM 594 CG LYS A 62 5.280 -6.520 -1.730 1.00 0.00 C ATOM 595 CD LYS A 62 5.840 -6.880 -3.110 1.00 0.00 C ATOM 596 CE LYS A 62 6.960 -7.910 -2.990 1.00 0.00 C ATOM 597 NZ LYS A 62 7.520 -8.200 -4.320 1.00 0.00 N ATOM 0 H LYS A 62 5.491 -4.273 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 62 2.771 -4.326 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.322 -5.979 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.472 -4.657 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.073 -6.099 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.932 -7.424 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.042 -7.275 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.217 -5.982 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.742 -7.534 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.577 -8.826 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.282 -8.902 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.772 -8.577 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.902 -7.326 -4.734 1.00 0.00 H new ATOM 602 N SER A 63 3.680 -6.800 1.160 1.00 0.00 N ATOM 603 CA SER A 63 3.150 -7.760 2.140 1.00 0.00 C ATOM 604 C SER A 63 2.230 -7.070 3.140 1.00 0.00 C ATOM 605 O SER A 63 1.010 -7.240 3.040 1.00 0.00 O ATOM 606 CB SER A 63 4.290 -8.490 2.860 1.00 0.00 C ATOM 607 OG SER A 63 5.040 -9.270 1.930 1.00 0.00 O ATOM 0 H SER A 63 4.692 -6.680 1.199 1.00 0.00 H new ATOM 0 HA SER A 63 2.561 -8.501 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.943 -7.767 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.884 -9.133 3.641 1.00 0.00 H new ATOM 0 HG SER A 63 5.766 -9.730 2.400 1.00 0.00 H new ATOM 610 N TRP A 64 2.790 -6.070 3.820 1.00 0.00 N ATOM 611 CA TRP A 64 2.170 -5.220 4.840 1.00 0.00 C ATOM 612 C TRP A 64 0.790 -4.670 4.480 1.00 0.00 C ATOM 613 O TRP A 64 -0.160 -4.810 5.250 1.00 0.00 O ATOM 614 CB TRP A 64 3.190 -4.120 5.150 1.00 0.00 C ATOM 615 CG TRP A 64 2.770 -2.910 5.980 1.00 0.00 C ATOM 616 CD1 TRP A 64 1.930 -2.890 7.010 1.00 0.00 C ATOM 617 CD2 TRP A 64 3.160 -1.590 5.750 1.00 0.00 C ATOM 618 NE1 TRP A 64 1.750 -1.640 7.430 1.00 0.00 N ATOM 619 CE2 TRP A 64 2.470 -0.820 6.680 1.00 0.00 C ATOM 620 CE3 TRP A 64 4.020 -0.990 4.850 1.00 0.00 C ATOM 621 CZ2 TRP A 64 2.610 0.570 6.690 1.00 0.00 C ATOM 622 CZ3 TRP A 64 4.170 0.390 4.860 1.00 0.00 C ATOM 623 CH2 TRP A 64 3.460 1.170 5.770 1.00 0.00 C ATOM 0 H TRP A 64 3.764 -5.812 3.661 1.00 0.00 H new ATOM 0 HA TRP A 64 1.945 -5.821 5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.030 -4.590 5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.566 -3.747 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.462 -3.761 7.443 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.152 -1.358 8.207 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.572 -1.591 4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.065 1.170 7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.841 0.862 4.158 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.571 2.244 5.760 1.00 0.00 H new ATOM 626 N LEU A 65 0.670 -4.160 3.260 1.00 0.00 N ATOM 627 CA LEU A 65 -0.560 -3.500 2.790 1.00 0.00 C ATOM 628 C LEU A 65 -1.610 -4.390 2.110 1.00 0.00 C ATOM 629 O LEU A 65 -2.590 -3.860 1.600 1.00 0.00 O ATOM 630 CB LEU A 65 -0.220 -2.310 1.890 1.00 0.00 C ATOM 631 CG LEU A 65 0.720 -1.280 2.520 1.00 0.00 C ATOM 632 CD1 LEU A 65 0.940 -0.130 1.540 1.00 0.00 C ATOM 633 CD2 LEU A 65 0.190 -0.720 3.850 1.00 0.00 C ATOM 0 H LEU A 65 1.415 -4.188 2.564 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.043 -3.176 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.235 -2.684 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.146 -1.811 1.606 1.00 0.00 H new ATOM 0 HG LEU A 65 1.658 -1.791 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.609 0.605 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.384 -0.514 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.016 0.341 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.900 0.005 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.771 -0.233 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.065 -1.534 4.564 1.00 0.00 H new ATOM 635 N SER A 66 -1.480 -5.710 2.220 1.00 0.00 N ATOM 636 CA SER A 66 -2.460 -6.620 1.600 1.00 0.00 C ATOM 637 C SER A 66 -3.480 -7.210 2.570 1.00 0.00 C ATOM 638 O SER A 66 -4.350 -6.480 3.060 1.00 0.00 O ATOM 639 CB SER A 66 -1.800 -7.630 0.670 1.00 0.00 C ATOM 640 OG SER A 66 -1.110 -8.660 1.390 1.00 0.00 O ATOM 0 H SER A 66 -0.723 -6.174 2.722 1.00 0.00 H new ATOM 0 HA SER A 66 -3.080 -5.996 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.558 -8.082 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.098 -7.114 0.016 1.00 0.00 H new ATOM 0 HG SER A 66 -0.429 -8.256 1.967 1.00 0.00 H new ATOM 643 N LYS A 67 -3.380 -8.500 2.860 1.00 0.00 N ATOM 644 CA LYS A 67 -4.270 -9.290 3.730 1.00 0.00 C ATOM 645 C LYS A 67 -3.490 -9.650 5.000 1.00 0.00 C ATOM 646 O LYS A 67 -2.950 -10.740 5.160 1.00 0.00 O ATOM 647 CB LYS A 67 -4.720 -10.490 2.900 1.00 0.00 C ATOM 648 CG LYS A 67 -5.750 -11.400 3.570 1.00 0.00 C ATOM 649 CD LYS A 67 -6.470 -12.310 2.570 1.00 0.00 C ATOM 650 CE LYS A 67 -5.560 -13.360 1.920 1.00 0.00 C ATOM 651 NZ LYS A 67 -6.320 -14.070 0.880 1.00 0.00 N ATOM 0 H LYS A 67 -2.628 -9.069 2.473 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.163 -8.761 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.138 -10.125 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.843 -11.086 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.253 -12.013 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.485 -10.788 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.289 -12.818 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.915 -11.694 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.683 -12.881 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.200 -14.064 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.712 -14.785 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.144 -14.537 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.643 -13.391 0.161 1.00 0.00 H new ATOM 656 N VAL A 68 -3.370 -8.620 5.830 1.00 0.00 N ATOM 657 CA VAL A 68 -2.450 -8.590 6.970 1.00 0.00 C ATOM 658 C VAL A 68 -3.100 -8.210 8.310 1.00 0.00 C ATOM 659 O VAL A 68 -2.840 -8.860 9.310 1.00 0.00 O ATOM 660 CB VAL A 68 -1.240 -7.730 6.620 1.00 0.00 C ATOM 661 CG1 VAL A 68 -0.280 -7.430 7.780 1.00 0.00 C ATOM 662 CG2 VAL A 68 -0.410 -8.390 5.510 1.00 0.00 C ATOM 0 H VAL A 68 -3.918 -7.765 5.731 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.117 -9.613 7.146 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.682 -6.783 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.543 -6.813 7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.815 -6.899 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.114 -8.365 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.449 -7.761 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.063 -9.367 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.026 -8.512 4.619 1.00 0.00 H new ATOM 664 N GLY A 69 -3.820 -7.090 8.330 1.00 0.00 N ATOM 665 CA GLY A 69 -4.390 -6.510 9.550 1.00 0.00 C ATOM 666 C GLY A 69 -3.410 -5.760 10.450 1.00 0.00 C ATOM 667 O GLY A 69 -3.620 -4.610 10.840 1.00 0.00 O ATOM 0 H GLY A 69 -4.028 -6.551 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.189 -5.826 9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.848 -7.311 10.131 1.00 0.00 H new ATOM 669 N SER A 70 -2.370 -6.480 10.850 1.00 0.00 N ATOM 670 CA SER A 70 -1.270 -6.050 11.720 1.00 0.00 C ATOM 671 C SER A 70 -0.720 -4.640 11.460 1.00 0.00 C ATOM 672 O SER A 70 -0.790 -4.160 10.330 1.00 0.00 O ATOM 673 CB SER A 70 -0.130 -7.060 11.560 1.00 0.00 C ATOM 674 OG SER A 70 -0.630 -8.350 11.930 1.00 0.00 O ATOM 0 H SER A 70 -2.260 -7.451 10.557 1.00 0.00 H new ATOM 0 HA SER A 70 -1.680 -6.010 12.729 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.229 -7.071 10.531 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.716 -6.784 12.190 1.00 0.00 H new ATOM 0 HG SER A 70 0.082 -9.017 11.834 1.00 0.00 H new ATOM 677 N PRO A 71 -0.300 -3.940 12.510 1.00 0.00 N ATOM 678 CA PRO A 71 -0.500 -4.270 13.920 1.00 0.00 C ATOM 679 C PRO A 71 -1.870 -3.960 14.540 1.00 0.00 C ATOM 680 O PRO A 71 -2.260 -4.620 15.500 1.00 0.00 O ATOM 681 CB PRO A 71 0.620 -3.540 14.670 1.00 0.00 C ATOM 682 CG PRO A 71 0.900 -2.330 13.780 1.00 0.00 C ATOM 683 CD PRO A 71 0.720 -2.880 12.370 1.00 0.00 C ATOM 0 HA PRO A 71 -0.470 -5.356 14.006 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.307 -3.241 15.670 1.00 0.00 H new ATOM 0 HB3 PRO A 71 1.503 -4.168 14.787 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.208 -1.513 13.984 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.907 -1.942 13.935 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.391 -2.103 11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.655 -3.279 11.978 1.00 0.00 H new ATOM 684 N SER A 72 -2.580 -2.960 14.010 1.00 0.00 N ATOM 685 CA SER A 72 -3.820 -2.430 14.590 1.00 0.00 C ATOM 686 C SER A 72 -5.020 -2.260 13.650 1.00 0.00 C ATOM 687 O SER A 72 -6.160 -2.490 14.060 1.00 0.00 O ATOM 688 CB SER A 72 -3.510 -1.090 15.260 1.00 0.00 C ATOM 689 OG SER A 72 -2.950 -0.190 14.300 1.00 0.00 O ATOM 0 H SER A 72 -2.305 -2.486 13.150 1.00 0.00 H new ATOM 0 HA SER A 72 -4.146 -3.199 15.291 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.420 -0.665 15.684 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.813 -1.237 16.085 1.00 0.00 H new ATOM 0 HG SER A 72 -2.754 0.668 14.731 1.00 0.00 H new ATOM 692 N SER A 73 -4.780 -1.730 12.460 1.00 0.00 N ATOM 693 CA SER A 73 -5.770 -1.440 11.410 1.00 0.00 C ATOM 694 C SER A 73 -5.850 -2.540 10.350 1.00 0.00 C ATOM 695 O SER A 73 -4.930 -2.690 9.540 1.00 0.00 O ATOM 696 CB SER A 73 -5.430 -0.130 10.700 1.00 0.00 C ATOM 697 OG SER A 73 -5.920 0.980 11.460 1.00 0.00 O ATOM 0 H SER A 73 -3.835 -1.472 12.175 1.00 0.00 H new ATOM 0 HA SER A 73 -6.732 -1.373 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.351 -0.046 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.871 -0.122 9.703 1.00 0.00 H new ATOM 0 HG SER A 73 -5.203 1.638 11.578 1.00 0.00 H new ATOM 700 N ARG A 74 -7.050 -3.080 10.210 1.00 0.00 N ATOM 701 CA ARG A 74 -7.320 -4.250 9.360 1.00 0.00 C ATOM 702 C ARG A 74 -7.220 -4.020 7.850 1.00 0.00 C ATOM 703 O ARG A 74 -8.190 -3.700 7.170 1.00 0.00 O ATOM 704 CB ARG A 74 -8.630 -4.920 9.760 1.00 0.00 C ATOM 705 CG ARG A 74 -8.440 -6.410 10.090 1.00 0.00 C ATOM 706 CD ARG A 74 -8.080 -7.260 8.870 1.00 0.00 C ATOM 707 NE ARG A 74 -7.600 -8.570 9.320 1.00 0.00 N ATOM 708 CZ ARG A 74 -6.850 -9.430 8.620 1.00 0.00 C ATOM 709 NH1 ARG A 74 -6.450 -9.200 7.360 1.00 0.00 N ATOM 710 NH2 ARG A 74 -6.350 -10.520 9.220 1.00 0.00 N ATOM 0 H ARG A 74 -7.879 -2.722 10.684 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.495 -4.934 9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.049 -4.408 10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.351 -4.818 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.655 -6.512 10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.357 -6.796 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.951 -7.380 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.312 -6.762 8.278 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.865 -8.855 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.717 -8.335 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.879 -9.890 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.542 -10.692 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.778 -11.177 8.689 1.00 0.00 H new ATOM 717 N ILE A 75 -5.990 -4.160 7.360 1.00 0.00 N ATOM 718 CA ILE A 75 -5.710 -4.240 5.920 1.00 0.00 C ATOM 719 C ILE A 75 -6.120 -5.640 5.440 1.00 0.00 C ATOM 720 O ILE A 75 -5.490 -6.630 5.780 1.00 0.00 O ATOM 721 CB ILE A 75 -4.270 -3.960 5.500 1.00 0.00 C ATOM 722 CG1 ILE A 75 -3.480 -3.010 6.390 1.00 0.00 C ATOM 723 CG2 ILE A 75 -4.320 -3.330 4.110 1.00 0.00 C ATOM 724 CD1 ILE A 75 -2.680 -3.760 7.460 1.00 0.00 C ATOM 0 H ILE A 75 -5.157 -4.222 7.946 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.287 -3.441 5.455 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.755 -4.919 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.800 -2.419 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.164 -2.311 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.307 -3.114 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.795 -4.022 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.894 -2.404 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.131 -3.044 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.362 -4.330 8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.977 -4.440 6.979 1.00 0.00 H new ATOM 726 N ASP A 76 -7.380 -5.640 5.010 1.00 0.00 N ATOM 727 CA ASP A 76 -8.130 -6.840 4.600 1.00 0.00 C ATOM 728 C ASP A 76 -7.640 -7.530 3.320 1.00 0.00 C ATOM 729 O ASP A 76 -7.570 -8.760 3.340 1.00 0.00 O ATOM 730 CB ASP A 76 -9.620 -6.480 4.510 1.00 0.00 C ATOM 731 CG ASP A 76 -10.530 -7.700 4.390 1.00 0.00 C ATOM 732 OD1 ASP A 76 -10.670 -8.200 3.250 1.00 0.00 O ATOM 733 OD2 ASP A 76 -11.150 -8.040 5.420 1.00 0.00 O ATOM 0 H ASP A 76 -7.929 -4.784 4.933 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.952 -7.591 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.903 -5.910 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.778 -5.831 3.649 1.00 0.00 H new ATOM 735 N ARG A 77 -7.550 -6.810 2.210 1.00 0.00 N ATOM 736 CA ARG A 77 -7.090 -7.350 0.920 1.00 0.00 C ATOM 737 C ARG A 77 -6.720 -6.210 -0.020 1.00 0.00 C ATOM 738 O ARG A 77 -7.440 -5.220 -0.090 1.00 0.00 O ATOM 739 CB ARG A 77 -8.200 -8.160 0.250 1.00 0.00 C ATOM 740 CG ARG A 77 -7.740 -9.550 -0.210 1.00 0.00 C ATOM 741 CD ARG A 77 -6.620 -9.550 -1.260 1.00 0.00 C ATOM 742 NE ARG A 77 -7.070 -9.020 -2.550 1.00 0.00 N ATOM 743 CZ ARG A 77 -6.330 -8.960 -3.670 1.00 0.00 C ATOM 744 NH1 ARG A 77 -5.070 -9.390 -3.720 1.00 0.00 N ATOM 745 NH2 ARG A 77 -6.880 -8.540 -4.820 1.00 0.00 N ATOM 0 H ARG A 77 -7.796 -5.821 2.171 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.226 -7.986 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.031 -8.271 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.577 -7.606 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.400 -10.110 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.599 -10.084 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.783 -8.954 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.252 -10.567 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.026 -8.667 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.632 -9.783 -2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.543 -9.326 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.862 -8.265 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.316 -8.495 -5.669 1.00 0.00 H new ATOM 752 N THR A 78 -5.700 -6.440 -0.850 1.00 0.00 N ATOM 753 CA THR A 78 -5.180 -5.400 -1.760 1.00 0.00 C ATOM 754 C THR A 78 -4.540 -5.980 -3.030 1.00 0.00 C ATOM 755 O THR A 78 -3.610 -6.780 -2.970 1.00 0.00 O ATOM 756 CB THR A 78 -4.170 -4.510 -1.040 1.00 0.00 C ATOM 757 OG1 THR A 78 -4.850 -3.950 0.090 1.00 0.00 O ATOM 758 CG2 THR A 78 -3.580 -3.360 -1.870 1.00 0.00 C ATOM 0 H THR A 78 -5.214 -7.334 -0.916 1.00 0.00 H new ATOM 0 HA THR A 78 -6.041 -4.808 -2.070 1.00 0.00 H new ATOM 0 HB THR A 78 -3.318 -5.141 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.219 -3.843 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.876 -2.794 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.062 -3.767 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.383 -2.702 -2.202 1.00 0.00 H new ATOM 761 N ASN A 79 -4.880 -5.280 -4.100 1.00 0.00 N ATOM 762 CA ASN A 79 -4.220 -5.420 -5.410 1.00 0.00 C ATOM 763 C ASN A 79 -3.180 -4.310 -5.570 1.00 0.00 C ATOM 764 O ASN A 79 -3.380 -3.180 -5.130 1.00 0.00 O ATOM 765 CB ASN A 79 -5.260 -5.360 -6.530 1.00 0.00 C ATOM 766 CG ASN A 79 -4.640 -5.740 -7.870 1.00 0.00 C ATOM 767 OD1 ASN A 79 -4.210 -4.910 -8.670 1.00 0.00 O ATOM 768 ND2 ASN A 79 -4.500 -7.040 -8.120 1.00 0.00 N ATOM 0 H ASN A 79 -5.629 -4.588 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.717 -6.385 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.085 -6.035 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.678 -4.355 -6.590 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.036 -7.348 -8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.856 -7.728 -7.457 1.00 0.00 H new ATOM 772 N PHE A 80 -2.050 -4.700 -6.150 1.00 0.00 N ATOM 773 CA PHE A 80 -0.930 -3.800 -6.470 1.00 0.00 C ATOM 774 C PHE A 80 -0.760 -3.710 -7.980 1.00 0.00 C ATOM 775 O PHE A 80 -0.490 -4.690 -8.660 1.00 0.00 O ATOM 776 CB PHE A 80 0.360 -4.260 -5.780 1.00 0.00 C ATOM 777 CG PHE A 80 0.330 -4.080 -4.260 1.00 0.00 C ATOM 778 CD1 PHE A 80 -0.200 -5.080 -3.460 1.00 0.00 C ATOM 779 CD2 PHE A 80 0.860 -2.920 -3.710 1.00 0.00 C ATOM 780 CE1 PHE A 80 -0.210 -4.920 -2.080 1.00 0.00 C ATOM 781 CE2 PHE A 80 0.860 -2.750 -2.330 1.00 0.00 C ATOM 782 CZ PHE A 80 0.320 -3.750 -1.530 1.00 0.00 C ATOM 0 H PHE A 80 -1.876 -5.668 -6.419 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.155 -2.803 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.533 -5.311 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.202 -3.701 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.602 -5.977 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.270 -2.154 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.621 -5.688 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.273 -1.856 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.310 -3.620 -0.458 1.00 0.00 H new ATOM 784 N SER A 81 -1.110 -2.520 -8.480 1.00 0.00 N ATOM 785 CA SER A 81 -1.110 -2.160 -9.900 1.00 0.00 C ATOM 786 C SER A 81 -0.240 -0.930 -10.180 1.00 0.00 C ATOM 787 O SER A 81 0.120 -0.180 -9.270 1.00 0.00 O ATOM 788 CB SER A 81 -2.530 -1.820 -10.340 1.00 0.00 C ATOM 789 OG SER A 81 -3.050 -2.880 -11.150 1.00 0.00 O ATOM 0 H SER A 81 -1.413 -1.751 -7.882 1.00 0.00 H new ATOM 0 HA SER A 81 -0.712 -3.015 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.166 -1.671 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.534 -0.885 -10.901 1.00 0.00 H new ATOM 0 HG SER A 81 -3.963 -2.660 -11.430 1.00 0.00 H new ATOM 792 N ASN A 82 0.020 -0.690 -11.460 1.00 0.00 N ATOM 793 CA ASN A 82 0.700 0.510 -11.970 1.00 0.00 C ATOM 794 C ASN A 82 2.050 0.770 -11.300 1.00 0.00 C ATOM 795 O ASN A 82 2.140 1.500 -10.320 1.00 0.00 O ATOM 796 CB ASN A 82 -0.210 1.730 -11.820 1.00 0.00 C ATOM 797 CG ASN A 82 -1.600 1.520 -12.400 1.00 0.00 C ATOM 798 OD1 ASN A 82 -1.800 1.410 -13.610 1.00 0.00 O ATOM 799 ND2 ASN A 82 -2.600 1.350 -11.540 1.00 0.00 N ATOM 0 H ASN A 82 -0.242 -1.341 -12.200 1.00 0.00 H new ATOM 0 HA ASN A 82 0.909 0.329 -13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.299 1.980 -10.763 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.256 2.584 -12.311 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.535 1.128 -11.882 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.432 1.442 -10.538 1.00 0.00 H new ATOM 803 N GLU A 83 3.090 0.120 -11.820 1.00 0.00 N ATOM 804 CA GLU A 83 4.440 0.330 -11.300 1.00 0.00 C ATOM 805 C GLU A 83 5.330 1.160 -12.220 1.00 0.00 C ATOM 806 O GLU A 83 5.740 0.750 -13.310 1.00 0.00 O ATOM 807 CB GLU A 83 5.120 -0.970 -10.860 1.00 0.00 C ATOM 808 CG GLU A 83 6.320 -0.660 -9.970 1.00 0.00 C ATOM 809 CD GLU A 83 6.990 -1.910 -9.390 1.00 0.00 C ATOM 810 OE1 GLU A 83 6.550 -2.330 -8.300 1.00 0.00 O ATOM 811 OE2 GLU A 83 7.950 -2.400 -10.030 1.00 0.00 O ATOM 0 H GLU A 83 3.027 -0.547 -12.589 1.00 0.00 H new ATOM 0 HA GLU A 83 4.301 0.930 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.410 -1.596 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.443 -1.535 -11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.055 -0.098 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.998 -0.017 -9.151 1.00 0.00 H new ATOM 813 N LYS A 84 5.610 2.350 -11.690 1.00 0.00 N ATOM 814 CA LYS A 84 6.520 3.370 -12.240 1.00 0.00 C ATOM 815 C LYS A 84 7.840 3.250 -11.480 1.00 0.00 C ATOM 816 O LYS A 84 7.980 3.690 -10.340 1.00 0.00 O ATOM 817 CB LYS A 84 5.900 4.750 -11.990 1.00 0.00 C ATOM 818 CG LYS A 84 4.580 5.000 -12.730 1.00 0.00 C ATOM 819 CD LYS A 84 4.800 5.150 -14.240 1.00 0.00 C ATOM 820 CE LYS A 84 3.490 5.370 -14.990 1.00 0.00 C ATOM 821 NZ LYS A 84 2.660 4.150 -14.940 1.00 0.00 N ATOM 0 H LYS A 84 5.186 2.652 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 84 6.683 3.236 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.730 4.869 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.618 5.515 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.894 4.174 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.108 5.901 -12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.470 5.989 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.292 4.257 -14.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.947 6.206 -14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.697 5.635 -16.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.874 4.237 -15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.241 3.324 -15.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.280 4.028 -13.980 1.00 0.00 H new ATOM 826 N THR A 85 8.730 2.430 -12.030 1.00 0.00 N ATOM 827 CA THR A 85 10.110 2.290 -11.540 1.00 0.00 C ATOM 828 C THR A 85 10.910 3.520 -11.950 1.00 0.00 C ATOM 829 O THR A 85 11.540 3.590 -13.000 1.00 0.00 O ATOM 830 CB THR A 85 10.740 1.000 -12.060 1.00 0.00 C ATOM 831 OG1 THR A 85 10.450 0.860 -13.450 1.00 0.00 O ATOM 832 CG2 THR A 85 10.270 -0.220 -11.270 1.00 0.00 C ATOM 0 H THR A 85 8.519 1.838 -12.833 1.00 0.00 H new ATOM 0 HA THR A 85 10.110 2.223 -10.452 1.00 0.00 H new ATOM 0 HB THR A 85 11.820 1.061 -11.924 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.692 1.686 -13.919 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.741 -1.117 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.546 -0.103 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.187 -0.311 -11.352 1.00 0.00 H new ATOM 835 N ILE A 86 10.770 4.540 -11.100 1.00 0.00 N ATOM 836 CA ILE A 86 11.160 5.930 -11.390 1.00 0.00 C ATOM 837 C ILE A 86 12.340 6.440 -10.560 1.00 0.00 C ATOM 838 O ILE A 86 12.620 5.970 -9.460 1.00 0.00 O ATOM 839 CB ILE A 86 9.990 6.910 -11.200 1.00 0.00 C ATOM 840 CG1 ILE A 86 9.350 6.810 -9.810 1.00 0.00 C ATOM 841 CG2 ILE A 86 8.970 6.720 -12.320 1.00 0.00 C ATOM 842 CD1 ILE A 86 8.660 8.110 -9.380 1.00 0.00 C ATOM 0 H ILE A 86 10.373 4.424 -10.168 1.00 0.00 H new ATOM 0 HA ILE A 86 11.468 5.898 -12.435 1.00 0.00 H new ATOM 0 HB ILE A 86 10.388 7.923 -11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.622 5.999 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.117 6.552 -9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.143 7.416 -12.181 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.446 6.910 -13.282 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.591 5.698 -12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.225 7.981 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.391 8.918 -9.353 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.873 8.357 -10.092 1.00 0.00 H new ATOM 844 N SER A 87 13.010 7.410 -11.150 1.00 0.00 N ATOM 845 CA SER A 87 14.010 8.240 -10.460 1.00 0.00 C ATOM 846 C SER A 87 13.410 8.980 -9.270 1.00 0.00 C ATOM 847 O SER A 87 12.330 9.570 -9.370 1.00 0.00 O ATOM 848 CB SER A 87 14.600 9.280 -11.410 1.00 0.00 C ATOM 849 OG SER A 87 15.710 9.900 -10.770 1.00 0.00 O ATOM 0 H SER A 87 12.883 7.656 -12.132 1.00 0.00 H new ATOM 0 HA SER A 87 14.786 7.560 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.915 8.807 -12.340 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.848 10.025 -11.670 1.00 0.00 H new ATOM 0 HG SER A 87 16.101 10.570 -11.369 1.00 0.00 H new ATOM 852 N LYS A 88 14.130 8.890 -8.160 1.00 0.00 N ATOM 853 CA LYS A 88 13.880 9.600 -6.890 1.00 0.00 C ATOM 854 C LYS A 88 12.560 9.310 -6.190 1.00 0.00 C ATOM 855 O LYS A 88 11.520 9.020 -6.780 1.00 0.00 O ATOM 856 CB LYS A 88 14.070 11.110 -7.050 1.00 0.00 C ATOM 857 CG LYS A 88 15.520 11.480 -7.320 1.00 0.00 C ATOM 858 CD LYS A 88 15.760 12.990 -7.360 1.00 0.00 C ATOM 859 CE LYS A 88 15.600 13.670 -6.000 1.00 0.00 C ATOM 860 NZ LYS A 88 16.610 13.200 -5.050 1.00 0.00 N ATOM 0 H LYS A 88 14.952 8.289 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 88 14.636 9.184 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.447 11.468 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.730 11.615 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.150 11.039 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.828 11.044 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.765 13.180 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.064 13.442 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.684 14.750 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.604 13.469 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.610 13.815 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.390 12.224 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.548 13.226 -5.499 1.00 0.00 H new ATOM 865 N LEU A 89 12.620 9.420 -4.860 1.00 0.00 N ATOM 866 CA LEU A 89 11.460 9.200 -3.980 1.00 0.00 C ATOM 867 C LEU A 89 10.630 10.470 -3.840 1.00 0.00 C ATOM 868 O LEU A 89 10.930 11.370 -3.050 1.00 0.00 O ATOM 869 CB LEU A 89 11.920 8.670 -2.620 1.00 0.00 C ATOM 870 CG LEU A 89 12.640 7.330 -2.680 1.00 0.00 C ATOM 871 CD1 LEU A 89 13.190 6.980 -1.290 1.00 0.00 C ATOM 872 CD2 LEU A 89 11.730 6.200 -3.180 1.00 0.00 C ATOM 0 H LEU A 89 13.474 9.664 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 89 10.816 8.446 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.582 9.405 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.052 8.574 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 89 13.457 7.427 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.705 6.021 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.889 7.753 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.367 6.918 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.290 5.265 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.878 6.095 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.374 6.436 -4.183 1.00 0.00 H new ATOM 874 N GLU A 90 9.570 10.530 -4.640 1.00 0.00 N ATOM 875 CA GLU A 90 8.720 11.730 -4.770 1.00 0.00 C ATOM 876 C GLU A 90 7.650 11.810 -3.680 1.00 0.00 C ATOM 877 O GLU A 90 6.610 11.150 -3.800 1.00 0.00 O ATOM 878 CB GLU A 90 8.120 11.750 -6.170 1.00 0.00 C ATOM 879 CG GLU A 90 7.480 13.100 -6.510 1.00 0.00 C ATOM 880 CD GLU A 90 6.810 13.070 -7.890 1.00 0.00 C ATOM 881 OE1 GLU A 90 7.540 13.250 -8.880 1.00 0.00 O ATOM 882 OE2 GLU A 90 5.570 12.880 -7.910 1.00 0.00 O ATOM 0 H GLU A 90 9.267 9.750 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 90 9.335 12.619 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.898 11.526 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.370 10.964 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.741 13.356 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.241 13.880 -6.490 1.00 0.00 H new ATOM 884 N TYR A 91 8.110 12.310 -2.540 1.00 0.00 N ATOM 885 CA TYR A 91 7.380 12.780 -1.350 1.00 0.00 C ATOM 886 C TYR A 91 8.230 12.680 -0.080 1.00 0.00 C ATOM 887 O TYR A 91 9.140 11.860 0.020 1.00 0.00 O ATOM 888 CB TYR A 91 6.080 12.040 -1.040 1.00 0.00 C ATOM 889 CG TYR A 91 4.830 12.890 -1.310 1.00 0.00 C ATOM 890 CD1 TYR A 91 4.400 13.070 -2.620 1.00 0.00 C ATOM 891 CD2 TYR A 91 4.120 13.400 -0.220 1.00 0.00 C ATOM 892 CE1 TYR A 91 3.240 13.790 -2.850 1.00 0.00 C ATOM 893 CE2 TYR A 91 2.950 14.110 -0.460 1.00 0.00 C ATOM 894 CZ TYR A 91 2.530 14.300 -1.770 1.00 0.00 C ATOM 895 OH TYR A 91 1.440 15.060 -2.030 1.00 0.00 O ATOM 0 H TYR A 91 9.116 12.411 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 91 7.143 13.810 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.033 11.132 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.084 11.731 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.961 12.655 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.474 13.245 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.891 13.954 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.374 14.509 0.362 1.00 0.00 H new ATOM 0 HH TYR A 91 0.848 15.060 -1.249 1.00 0.00 H new ATOM 898 N SER A 92 7.950 13.570 0.860 1.00 0.00 N ATOM 899 CA SER A 92 8.490 13.500 2.230 1.00 0.00 C ATOM 900 C SER A 92 7.660 12.530 3.080 1.00 0.00 C ATOM 901 O SER A 92 6.610 12.860 3.620 1.00 0.00 O ATOM 902 CB SER A 92 8.580 14.900 2.830 1.00 0.00 C ATOM 903 OG SER A 92 7.370 15.610 2.550 1.00 0.00 O ATOM 0 H SER A 92 7.338 14.371 0.703 1.00 0.00 H new ATOM 0 HA SER A 92 9.505 13.102 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.738 14.838 3.907 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.434 15.434 2.412 1.00 0.00 H new ATOM 0 HG SER A 92 6.601 15.038 2.752 1.00 0.00 H new ATOM 906 N ASN A 93 8.120 11.290 2.980 1.00 0.00 N ATOM 907 CA ASN A 93 7.470 10.080 3.510 1.00 0.00 C ATOM 908 C ASN A 93 6.090 9.820 2.900 1.00 0.00 C ATOM 909 O ASN A 93 5.710 10.470 1.930 1.00 0.00 O ATOM 910 CB ASN A 93 7.470 10.010 5.040 1.00 0.00 C ATOM 911 CG ASN A 93 8.880 9.750 5.570 1.00 0.00 C ATOM 912 OD1 ASN A 93 9.480 10.580 6.260 1.00 0.00 O ATOM 913 ND2 ASN A 93 9.470 8.610 5.240 1.00 0.00 N ATOM 0 H ASN A 93 8.999 11.081 2.506 1.00 0.00 H new ATOM 0 HA ASN A 93 8.098 9.252 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.088 10.944 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.799 9.218 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.421 8.418 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.974 7.925 4.670 1.00 0.00 H new ATOM 917 N PHE A 94 5.540 8.650 3.230 1.00 0.00 N ATOM 918 CA PHE A 94 4.200 8.230 2.790 1.00 0.00 C ATOM 919 C PHE A 94 3.110 9.000 3.550 1.00 0.00 C ATOM 920 O PHE A 94 2.240 8.450 4.220 1.00 0.00 O ATOM 921 CB PHE A 94 4.160 6.710 2.940 1.00 0.00 C ATOM 922 CG PHE A 94 2.980 5.970 2.300 1.00 0.00 C ATOM 923 CD1 PHE A 94 2.500 6.320 1.040 1.00 0.00 C ATOM 924 CD2 PHE A 94 2.540 4.810 2.930 1.00 0.00 C ATOM 925 CE1 PHE A 94 1.580 5.510 0.400 1.00 0.00 C ATOM 926 CE2 PHE A 94 1.620 3.980 2.290 1.00 0.00 C ATOM 927 CZ PHE A 94 1.150 4.350 1.040 1.00 0.00 C ATOM 0 H PHE A 94 6.012 7.960 3.814 1.00 0.00 H new ATOM 0 HA PHE A 94 3.996 8.473 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.080 6.305 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.167 6.476 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.847 7.225 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.910 4.553 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.202 5.772 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.281 3.068 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.427 3.718 0.546 1.00 0.00 H new ATOM 929 N SER A 95 3.060 10.280 3.210 1.00 0.00 N ATOM 930 CA SER A 95 2.320 11.310 3.960 1.00 0.00 C ATOM 931 C SER A 95 0.820 11.380 3.700 1.00 0.00 C ATOM 932 O SER A 95 0.350 11.760 2.630 1.00 0.00 O ATOM 933 CB SER A 95 2.920 12.710 3.770 1.00 0.00 C ATOM 934 OG SER A 95 3.810 12.980 4.850 1.00 0.00 O ATOM 0 H SER A 95 3.540 10.649 2.389 1.00 0.00 H new ATOM 0 HA SER A 95 2.437 10.978 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.451 12.767 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.128 13.458 3.738 1.00 0.00 H new ATOM 0 HG SER A 95 4.735 12.940 4.529 1.00 0.00 H new ATOM 937 N VAL A 96 0.140 10.970 4.760 1.00 0.00 N ATOM 938 CA VAL A 96 -1.300 11.140 5.040 1.00 0.00 C ATOM 939 C VAL A 96 -2.280 10.630 3.980 1.00 0.00 C ATOM 940 O VAL A 96 -1.930 10.260 2.860 1.00 0.00 O ATOM 941 CB VAL A 96 -1.670 12.540 5.520 1.00 0.00 C ATOM 942 CG1 VAL A 96 -1.010 12.850 6.860 1.00 0.00 C ATOM 943 CG2 VAL A 96 -1.420 13.670 4.510 1.00 0.00 C ATOM 0 H VAL A 96 0.608 10.468 5.515 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.436 10.450 5.873 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.753 12.513 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.290 13.854 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.341 12.126 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.073 12.792 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.716 14.623 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.361 13.702 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.005 13.489 3.609 1.00 0.00 H new ATOM 945 N ARG A 97 -3.520 10.500 4.440 1.00 0.00 N ATOM 946 CA ARG A 97 -4.630 10.030 3.610 1.00 0.00 C ATOM 947 C ARG A 97 -5.640 11.150 3.350 1.00 0.00 C ATOM 948 O ARG A 97 -6.190 11.770 4.270 1.00 0.00 O ATOM 949 CB ARG A 97 -5.260 8.780 4.220 1.00 0.00 C ATOM 950 CG ARG A 97 -6.140 8.060 3.190 1.00 0.00 C ATOM 951 CD ARG A 97 -6.660 6.730 3.720 1.00 0.00 C ATOM 952 NE ARG A 97 -7.510 6.940 4.900 1.00 0.00 N ATOM 953 CZ ARG A 97 -8.010 5.990 5.700 1.00 0.00 C ATOM 954 NH1 ARG A 97 -7.840 4.680 5.430 1.00 0.00 N ATOM 955 NH2 ARG A 97 -8.630 6.320 6.840 1.00 0.00 N ATOM 0 H ARG A 97 -3.787 10.717 5.400 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.244 9.742 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.478 8.107 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.858 9.055 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.982 8.698 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.567 7.889 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.228 6.220 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.822 6.083 3.979 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.742 7.906 5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.320 4.394 4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.231 3.975 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.724 7.301 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.008 5.591 7.444 1.00 0.00 H new ATOM 962 N TYR A 98 -5.660 11.500 2.070 1.00 0.00 N ATOM 963 CA TYR A 98 -6.460 12.570 1.460 1.00 0.00 C ATOM 964 C TYR A 98 -7.890 12.100 1.140 1.00 0.00 C ATOM 965 O TYR A 98 -8.820 12.890 1.390 1.00 0.00 O ATOM 966 CB TYR A 98 -5.770 13.040 0.180 1.00 0.00 C ATOM 967 CG TYR A 98 -4.350 13.580 0.370 1.00 0.00 C ATOM 968 CD1 TYR A 98 -3.290 12.690 0.350 1.00 0.00 C ATOM 969 CD2 TYR A 98 -4.160 14.950 0.490 1.00 0.00 C ATOM 970 CE1 TYR A 98 -1.990 13.170 0.440 1.00 0.00 C ATOM 971 CE2 TYR A 98 -2.860 15.440 0.570 1.00 0.00 C ATOM 972 CZ TYR A 98 -1.800 14.550 0.540 1.00 0.00 C ATOM 973 OH TYR A 98 -0.520 15.010 0.530 1.00 0.00 O ATOM 974 OXT TYR A 98 -8.020 10.970 0.620 1.00 0.00 O ATOM 0 H TYR A 98 -5.083 11.017 1.381 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.536 13.391 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -5.735 12.207 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.380 13.818 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.473 11.629 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.005 15.622 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.148 12.494 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.680 16.502 0.654 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.523 15.987 0.605 1.00 0.00 H new TER 977 TYR A 98