USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=30 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 95 SER OG : rot -124:sc= 0.766 USER MOD Set 1.2: A 98 TYR OH : rot 0:sc= 0.668 USER MOD Set 2.1: A 82 ASN : amide:sc= -2.65! K(o=-3!,f=-0.29) USER MOD Set 2.2: A 84 LYS NZ :NH3+ -161:sc= -0.376 (180deg=-0.659) USER MOD Set 3.1: A 8 SER OG : rot 133:sc= 0.455 USER MOD Set 3.2: A 50 GLN : amide:sc= 0.456 K(o=2.2,f=1.1) USER MOD Set 3.3: A 91 TYR OH : rot 171:sc= 1.27 USER MOD Set 4.1: A 42 THR OG1 : rot -158:sc= 1.28 USER MOD Set 4.2: A 46 THR OG1 : rot 180:sc= 1.11 USER MOD Set 5.1: A 25 TYR OH : rot -27:sc= 0.818 USER MOD Set 5.2: A 70 SER OG : rot 104:sc= 1.49 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -49:sc= 0.973 USER MOD Single : A 2 THR OG1 : rot -74:sc= 0.578 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 100:sc= -1.28 USER MOD Single : A 18 GLN : amide:sc= -2.25! K(o=-2.3!,f=-0.87) USER MOD Single : A 21 CYS SG : rot -26:sc= 0.0354 USER MOD Single : A 24 MET CE :methyl -125:sc= 0 (180deg=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 133:sc= -0.161 (180deg=-1.67!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.96! C(o=-2!,f=-7.9!) USER MOD Single : A 43 SER OG : rot -46:sc= 0.801 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 50:sc= 0.113 USER MOD Single : A 52 GLN : amide:sc= -1.49 K(o=-1.5,f=-4.4!) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= -0.119 (180deg=-0.177) USER MOD Single : A 59 ASN : amide:sc= -0.386 K(o=-0.39,f=-2.3) USER MOD Single : A 60 SER OG : rot -63:sc= 0.703 USER MOD Single : A 61 MET CE :methyl 156:sc= -0.295 (180deg=-1.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0066 USER MOD Single : A 66 SER OG : rot -21:sc= 0.718 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 78 THR OG1 : rot 90:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -4.71! K(o=-4.7!,f=-1.3) USER MOD Single : A 81 SER OG : rot 37:sc= 0.348 USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000724 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0379) USER MOD Single : A 92 SER OG : rot 58:sc= 0.0573 USER MOD Single : A 93 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.080 -3.130 -16.710 1.00 0.00 N ATOM 2 CA SER A 1 5.070 -1.900 -15.900 1.00 0.00 C ATOM 3 C SER A 1 6.450 -1.580 -15.310 1.00 0.00 C ATOM 4 O SER A 1 6.710 -1.740 -14.120 1.00 0.00 O ATOM 5 CB SER A 1 3.980 -2.030 -14.840 1.00 0.00 C ATOM 6 OG SER A 1 3.650 -0.770 -14.250 1.00 0.00 O ATOM 0 H1 SER A 1 4.127 -3.305 -17.087 1.00 0.00 H new ATOM 0 H2 SER A 1 5.750 -3.021 -17.498 1.00 0.00 H new ATOM 0 H3 SER A 1 5.371 -3.934 -16.117 1.00 0.00 H new ATOM 0 HA SER A 1 4.840 -1.045 -16.536 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.087 -2.464 -15.290 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.311 -2.718 -14.062 1.00 0.00 H new ATOM 0 HG SER A 1 4.472 -0.313 -13.973 1.00 0.00 H new ATOM 11 N THR A 2 7.330 -1.160 -16.210 1.00 0.00 N ATOM 12 CA THR A 2 8.770 -0.880 -16.030 1.00 0.00 C ATOM 13 C THR A 2 9.670 -2.020 -15.560 1.00 0.00 C ATOM 14 O THR A 2 10.790 -2.140 -16.050 1.00 0.00 O ATOM 15 CB THR A 2 9.130 0.390 -15.260 1.00 0.00 C ATOM 16 OG1 THR A 2 8.830 0.290 -13.870 1.00 0.00 O ATOM 17 CG2 THR A 2 8.500 1.640 -15.880 1.00 0.00 C ATOM 0 H THR A 2 7.040 -0.988 -17.173 1.00 0.00 H new ATOM 0 HA THR A 2 8.998 -0.719 -17.084 1.00 0.00 H new ATOM 0 HB THR A 2 10.212 0.497 -15.344 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.861 0.353 -13.739 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.784 2.517 -15.299 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.852 1.755 -16.905 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.415 1.539 -15.878 1.00 0.00 H new ATOM 20 N ALA A 3 9.220 -2.790 -14.570 1.00 0.00 N ATOM 21 CA ALA A 3 9.790 -4.040 -14.050 1.00 0.00 C ATOM 22 C ALA A 3 11.110 -4.010 -13.280 1.00 0.00 C ATOM 23 O ALA A 3 11.270 -4.770 -12.320 1.00 0.00 O ATOM 24 CB ALA A 3 9.860 -5.120 -15.140 1.00 0.00 C ATOM 0 H ALA A 3 8.372 -2.535 -14.064 1.00 0.00 H new ATOM 0 HA ALA A 3 9.065 -4.273 -13.271 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.286 -6.032 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.857 -5.326 -15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.487 -4.769 -15.960 1.00 0.00 H new ATOM 26 N ARG A 4 12.040 -3.150 -13.690 1.00 0.00 N ATOM 27 CA ARG A 4 13.400 -3.040 -13.130 1.00 0.00 C ATOM 28 C ARG A 4 13.380 -2.790 -11.620 1.00 0.00 C ATOM 29 O ARG A 4 12.500 -2.050 -11.170 1.00 0.00 O ATOM 30 CB ARG A 4 14.190 -1.920 -13.810 1.00 0.00 C ATOM 31 CG ARG A 4 14.070 -1.800 -15.330 1.00 0.00 C ATOM 32 CD ARG A 4 14.350 -3.060 -16.150 1.00 0.00 C ATOM 33 NE ARG A 4 15.730 -3.540 -16.000 1.00 0.00 N ATOM 34 CZ ARG A 4 16.100 -4.830 -15.890 1.00 0.00 C ATOM 35 NH1 ARG A 4 15.210 -5.830 -15.890 1.00 0.00 N ATOM 36 NH2 ARG A 4 17.390 -5.140 -15.800 1.00 0.00 N ATOM 0 H ARG A 4 11.870 -2.486 -14.445 1.00 0.00 H new ATOM 0 HA ARG A 4 13.888 -3.996 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 4 13.878 -0.972 -13.371 1.00 0.00 H new ATOM 0 HB3 ARG A 4 15.244 -2.053 -13.564 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.061 -1.461 -15.564 1.00 0.00 H new ATOM 0 HG3 ARG A 4 14.754 -1.020 -15.663 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.661 -3.847 -15.845 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.154 -2.855 -17.202 1.00 0.00 H new ATOM 0 HE ARG A 4 16.469 -2.838 -15.977 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.214 -5.626 -15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.528 -6.795 -15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.094 -4.402 -15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 4 17.675 -6.116 -15.716 1.00 0.00 H new ATOM 43 N PRO A 5 14.310 -3.330 -10.830 1.00 0.00 N ATOM 44 CA PRO A 5 14.320 -3.160 -9.370 1.00 0.00 C ATOM 45 C PRO A 5 14.700 -1.780 -8.850 1.00 0.00 C ATOM 46 O PRO A 5 15.780 -1.520 -8.330 1.00 0.00 O ATOM 47 CB PRO A 5 15.240 -4.280 -8.860 1.00 0.00 C ATOM 48 CG PRO A 5 16.210 -4.490 -10.020 1.00 0.00 C ATOM 49 CD PRO A 5 15.340 -4.290 -11.260 1.00 0.00 C ATOM 0 HA PRO A 5 13.304 -3.234 -8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.760 -3.989 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.681 -5.188 -8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.033 -3.776 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.652 -5.486 -9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.922 -3.902 -12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.896 -5.229 -11.590 1.00 0.00 H new ATOM 50 N LEU A 6 13.730 -0.880 -9.050 1.00 0.00 N ATOM 51 CA LEU A 6 13.650 0.520 -8.590 1.00 0.00 C ATOM 52 C LEU A 6 12.210 0.980 -8.800 1.00 0.00 C ATOM 53 O LEU A 6 11.880 2.160 -8.950 1.00 0.00 O ATOM 54 CB LEU A 6 14.640 1.330 -9.420 1.00 0.00 C ATOM 55 CG LEU A 6 14.950 2.720 -8.860 1.00 0.00 C ATOM 56 CD1 LEU A 6 15.700 2.660 -7.530 1.00 0.00 C ATOM 57 CD2 LEU A 6 15.780 3.490 -9.890 1.00 0.00 C ATOM 0 H LEU A 6 12.901 -1.133 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 6 13.904 0.643 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.571 0.769 -9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 6 14.244 1.439 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 6 14.004 3.226 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.895 3.672 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.095 2.129 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.645 2.136 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.008 4.483 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.709 2.953 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.215 3.582 -10.817 1.00 0.00 H new ATOM 59 N LYS A 7 11.300 0.050 -8.530 1.00 0.00 N ATOM 60 CA LYS A 7 9.960 -0.010 -9.140 1.00 0.00 C ATOM 61 C LYS A 7 8.800 0.440 -8.250 1.00 0.00 C ATOM 62 O LYS A 7 7.960 -0.360 -7.840 1.00 0.00 O ATOM 63 CB LYS A 7 9.760 -1.410 -9.710 1.00 0.00 C ATOM 64 CG LYS A 7 10.050 -2.520 -8.690 1.00 0.00 C ATOM 65 CD LYS A 7 10.000 -3.940 -9.260 1.00 0.00 C ATOM 66 CE LYS A 7 8.570 -4.410 -9.510 1.00 0.00 C ATOM 67 NZ LYS A 7 8.620 -5.800 -9.970 1.00 0.00 N ATOM 0 H LYS A 7 11.470 -0.705 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 7 9.935 0.735 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.734 -1.509 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.410 -1.540 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.037 -2.350 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.329 -2.444 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.561 -3.975 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.490 -4.625 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.979 -4.332 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.087 -3.779 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.654 -6.142 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.173 -5.855 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.068 -6.391 -9.241 1.00 0.00 H new ATOM 72 N SER A 8 8.640 1.760 -8.150 1.00 0.00 N ATOM 73 CA SER A 8 7.640 2.390 -7.290 1.00 0.00 C ATOM 74 C SER A 8 6.220 1.940 -7.640 1.00 0.00 C ATOM 75 O SER A 8 5.780 2.070 -8.780 1.00 0.00 O ATOM 76 CB SER A 8 7.720 3.920 -7.360 1.00 0.00 C ATOM 77 OG SER A 8 6.670 4.500 -6.570 1.00 0.00 O ATOM 0 H SER A 8 9.208 2.429 -8.670 1.00 0.00 H new ATOM 0 HA SER A 8 7.866 2.069 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.690 4.259 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.634 4.251 -8.395 1.00 0.00 H new ATOM 0 HG SER A 8 7.041 5.208 -6.002 1.00 0.00 H new ATOM 80 N VAL A 9 5.540 1.510 -6.580 1.00 0.00 N ATOM 81 CA VAL A 9 4.210 0.890 -6.640 1.00 0.00 C ATOM 82 C VAL A 9 3.140 1.740 -5.950 1.00 0.00 C ATOM 83 O VAL A 9 3.320 2.260 -4.850 1.00 0.00 O ATOM 84 CB VAL A 9 4.180 -0.540 -6.090 1.00 0.00 C ATOM 85 CG1 VAL A 9 4.990 -1.500 -6.950 1.00 0.00 C ATOM 86 CG2 VAL A 9 4.610 -0.650 -4.620 1.00 0.00 C ATOM 0 H VAL A 9 5.904 1.583 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 9 3.976 0.835 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 9 3.131 -0.831 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.941 -2.502 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.582 -1.516 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.029 -1.171 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.562 -1.692 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.631 -0.284 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.942 -0.052 -4.000 1.00 0.00 H new ATOM 88 N ASP A 10 1.970 1.730 -6.580 1.00 0.00 N ATOM 89 CA ASP A 10 0.730 2.300 -6.040 1.00 0.00 C ATOM 90 C ASP A 10 -0.200 1.140 -5.680 1.00 0.00 C ATOM 91 O ASP A 10 -0.570 0.300 -6.500 1.00 0.00 O ATOM 92 CB ASP A 10 0.070 3.250 -7.040 1.00 0.00 C ATOM 93 CG ASP A 10 -0.510 4.480 -6.340 1.00 0.00 C ATOM 94 OD1 ASP A 10 -1.640 4.370 -5.820 1.00 0.00 O ATOM 95 OD2 ASP A 10 0.190 5.520 -6.370 1.00 0.00 O ATOM 0 H ASP A 10 1.849 1.316 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 10 0.950 2.893 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.802 3.564 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.722 2.726 -7.574 1.00 0.00 H new ATOM 97 N TYR A 11 -0.530 1.130 -4.390 1.00 0.00 N ATOM 98 CA TYR A 11 -1.290 0.070 -3.710 1.00 0.00 C ATOM 99 C TYR A 11 -2.740 0.470 -3.430 1.00 0.00 C ATOM 100 O TYR A 11 -3.000 1.550 -2.910 1.00 0.00 O ATOM 101 CB TYR A 11 -0.580 -0.360 -2.430 1.00 0.00 C ATOM 102 CG TYR A 11 -0.470 0.670 -1.300 1.00 0.00 C ATOM 103 CD1 TYR A 11 -1.480 0.740 -0.360 1.00 0.00 C ATOM 104 CD2 TYR A 11 0.660 1.490 -1.230 1.00 0.00 C ATOM 105 CE1 TYR A 11 -1.400 1.680 0.660 1.00 0.00 C ATOM 106 CE2 TYR A 11 0.750 2.420 -0.210 1.00 0.00 C ATOM 107 CZ TYR A 11 -0.290 2.520 0.710 1.00 0.00 C ATOM 108 OH TYR A 11 -0.320 3.580 1.570 1.00 0.00 O ATOM 0 H TYR A 11 -0.267 1.888 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.332 -0.781 -4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.096 -1.236 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.429 -0.677 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.325 0.070 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.450 1.399 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.183 1.758 1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.616 3.060 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 11 0.183 3.357 2.381 1.00 0.00 H new ATOM 111 N GLU A 12 -3.650 -0.360 -3.920 1.00 0.00 N ATOM 112 CA GLU A 12 -5.070 -0.310 -3.560 1.00 0.00 C ATOM 113 C GLU A 12 -5.400 -1.390 -2.530 1.00 0.00 C ATOM 114 O GLU A 12 -5.290 -2.590 -2.780 1.00 0.00 O ATOM 115 CB GLU A 12 -5.990 -0.380 -4.780 1.00 0.00 C ATOM 116 CG GLU A 12 -7.490 -0.420 -4.450 1.00 0.00 C ATOM 117 CD GLU A 12 -8.080 0.810 -3.770 1.00 0.00 C ATOM 118 OE1 GLU A 12 -7.910 0.950 -2.540 1.00 0.00 O ATOM 119 OE2 GLU A 12 -8.810 1.550 -4.470 1.00 0.00 O ATOM 0 H GLU A 12 -3.426 -1.098 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.257 0.662 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.794 0.483 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.735 -1.267 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.037 -0.590 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.673 -1.283 -3.809 1.00 0.00 H new ATOM 121 N VAL A 13 -5.740 -0.880 -1.360 1.00 0.00 N ATOM 122 CA VAL A 13 -6.160 -1.630 -0.170 1.00 0.00 C ATOM 123 C VAL A 13 -7.560 -2.230 -0.360 1.00 0.00 C ATOM 124 O VAL A 13 -8.500 -1.540 -0.730 1.00 0.00 O ATOM 125 CB VAL A 13 -6.050 -0.700 1.040 1.00 0.00 C ATOM 126 CG1 VAL A 13 -6.850 -1.120 2.270 1.00 0.00 C ATOM 127 CG2 VAL A 13 -4.580 -0.500 1.420 1.00 0.00 C ATOM 0 H VAL A 13 -5.733 0.127 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.508 -2.487 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.503 0.236 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.701 -0.392 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.909 -1.168 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.513 -2.100 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.514 0.164 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.134 -1.463 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.044 -0.058 0.580 1.00 0.00 H new ATOM 129 N PHE A 14 -7.580 -3.560 -0.230 1.00 0.00 N ATOM 130 CA PHE A 14 -8.810 -4.340 -0.080 1.00 0.00 C ATOM 131 C PHE A 14 -8.650 -5.330 1.080 1.00 0.00 C ATOM 132 O PHE A 14 -7.550 -5.780 1.390 1.00 0.00 O ATOM 133 CB PHE A 14 -9.150 -5.130 -1.340 1.00 0.00 C ATOM 134 CG PHE A 14 -9.320 -4.290 -2.610 1.00 0.00 C ATOM 135 CD1 PHE A 14 -10.430 -3.470 -2.770 1.00 0.00 C ATOM 136 CD2 PHE A 14 -8.440 -4.520 -3.660 1.00 0.00 C ATOM 137 CE1 PHE A 14 -10.680 -2.890 -4.010 1.00 0.00 C ATOM 138 CE2 PHE A 14 -8.690 -3.950 -4.900 1.00 0.00 C ATOM 139 CZ PHE A 14 -9.810 -3.140 -5.060 1.00 0.00 C ATOM 0 H PHE A 14 -6.734 -4.130 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.618 -3.634 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.364 -5.865 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.072 -5.685 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.094 -3.284 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.567 -5.138 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.541 -2.253 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.024 -4.133 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.006 -2.696 -6.025 1.00 0.00 H new ATOM 141 N GLY A 15 -9.780 -5.640 1.720 1.00 0.00 N ATOM 142 CA GLY A 15 -9.830 -6.560 2.860 1.00 0.00 C ATOM 143 C GLY A 15 -11.220 -6.860 3.400 1.00 0.00 C ATOM 144 O GLY A 15 -12.210 -6.800 2.680 1.00 0.00 O ATOM 0 H GLY A 15 -10.690 -5.259 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.363 -7.500 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.228 -6.143 3.667 1.00 0.00 H new ATOM 146 N ARG A 16 -11.270 -7.050 4.720 1.00 0.00 N ATOM 147 CA ARG A 16 -12.460 -7.550 5.430 1.00 0.00 C ATOM 148 C ARG A 16 -13.260 -6.400 6.060 1.00 0.00 C ATOM 149 O ARG A 16 -14.160 -5.850 5.430 1.00 0.00 O ATOM 150 CB ARG A 16 -12.080 -8.570 6.500 1.00 0.00 C ATOM 151 CG ARG A 16 -10.930 -9.540 6.210 1.00 0.00 C ATOM 152 CD ARG A 16 -11.160 -10.480 5.030 1.00 0.00 C ATOM 153 NE ARG A 16 -9.970 -11.330 4.880 1.00 0.00 N ATOM 154 CZ ARG A 16 -9.740 -12.220 3.910 1.00 0.00 C ATOM 155 NH1 ARG A 16 -10.610 -12.440 2.910 1.00 0.00 N ATOM 156 NH2 ARG A 16 -8.610 -12.930 3.910 1.00 0.00 N ATOM 0 H ARG A 16 -10.480 -6.861 5.337 1.00 0.00 H new ATOM 0 HA ARG A 16 -13.090 -8.044 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.829 -8.021 7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.967 -9.164 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.025 -8.961 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.747 -10.139 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.046 -11.093 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.337 -9.909 4.118 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.245 -11.230 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.485 -11.918 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.395 -13.129 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.922 -12.793 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.435 -13.609 3.170 1.00 0.00 H new ATOM 163 N VAL A 17 -12.800 -5.920 7.210 1.00 0.00 N ATOM 164 CA VAL A 17 -13.490 -4.920 8.040 1.00 0.00 C ATOM 165 C VAL A 17 -13.310 -3.530 7.430 1.00 0.00 C ATOM 166 O VAL A 17 -12.200 -3.010 7.330 1.00 0.00 O ATOM 167 CB VAL A 17 -12.990 -4.990 9.490 1.00 0.00 C ATOM 168 CG1 VAL A 17 -13.600 -3.910 10.390 1.00 0.00 C ATOM 169 CG2 VAL A 17 -13.310 -6.350 10.110 1.00 0.00 C ATOM 0 H VAL A 17 -11.911 -6.220 7.609 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.558 -5.136 8.062 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.913 -4.829 9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.206 -4.014 11.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.344 -2.925 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.684 -4.022 10.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.946 -6.376 11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.388 -6.509 10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.824 -7.136 9.533 1.00 0.00 H new ATOM 171 N GLN A 18 -14.450 -2.940 7.110 1.00 0.00 N ATOM 172 CA GLN A 18 -14.540 -1.670 6.370 1.00 0.00 C ATOM 173 C GLN A 18 -14.010 -0.450 7.120 1.00 0.00 C ATOM 174 O GLN A 18 -14.250 -0.270 8.310 1.00 0.00 O ATOM 175 CB GLN A 18 -15.980 -1.450 5.890 1.00 0.00 C ATOM 176 CG GLN A 18 -16.410 -2.490 4.850 1.00 0.00 C ATOM 177 CD GLN A 18 -15.500 -2.480 3.630 1.00 0.00 C ATOM 178 OE1 GLN A 18 -15.400 -1.500 2.890 1.00 0.00 O ATOM 179 NE2 GLN A 18 -14.710 -3.540 3.450 1.00 0.00 N ATOM 0 H GLN A 18 -15.360 -3.328 7.357 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.873 -1.771 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.656 -1.492 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.070 -0.452 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.400 -3.482 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.436 -2.291 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.795 -4.350 4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.021 -3.541 2.698 1.00 0.00 H new ATOM 183 N GLY A 19 -13.280 0.360 6.360 1.00 0.00 N ATOM 184 CA GLY A 19 -12.730 1.650 6.830 1.00 0.00 C ATOM 185 C GLY A 19 -11.260 1.550 7.270 1.00 0.00 C ATOM 186 O GLY A 19 -10.980 1.390 8.460 1.00 0.00 O ATOM 0 H GLY A 19 -13.045 0.148 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.816 2.388 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.330 2.012 7.665 1.00 0.00 H new ATOM 188 N VAL A 20 -10.390 1.870 6.330 1.00 0.00 N ATOM 189 CA VAL A 20 -8.920 1.840 6.410 1.00 0.00 C ATOM 190 C VAL A 20 -8.290 2.040 7.790 1.00 0.00 C ATOM 191 O VAL A 20 -7.590 1.130 8.240 1.00 0.00 O ATOM 192 CB VAL A 20 -8.370 2.710 5.270 1.00 0.00 C ATOM 193 CG1 VAL A 20 -6.990 3.330 5.480 1.00 0.00 C ATOM 194 CG2 VAL A 20 -8.360 1.860 4.000 1.00 0.00 C ATOM 0 H VAL A 20 -10.707 2.184 5.413 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.592 0.811 6.259 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.034 3.572 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.719 3.919 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.011 3.975 6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.254 2.539 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.974 2.451 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.724 0.987 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.375 1.534 3.772 1.00 0.00 H new ATOM 196 N CYS A 21 -8.340 3.260 8.320 1.00 0.00 N ATOM 197 CA CYS A 21 -7.810 3.670 9.620 1.00 0.00 C ATOM 198 C CYS A 21 -6.300 3.610 9.870 1.00 0.00 C ATOM 199 O CYS A 21 -5.790 4.430 10.630 1.00 0.00 O ATOM 200 CB CYS A 21 -8.570 2.970 10.750 1.00 0.00 C ATOM 201 SG CYS A 21 -8.340 3.720 12.400 1.00 0.00 S ATOM 0 H CYS A 21 -8.778 4.036 7.824 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.986 4.746 9.603 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.633 2.971 10.510 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.254 1.928 10.792 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.193 4.330 12.443 1.00 0.00 H new ATOM 204 N PHE A 22 -5.580 2.720 9.190 1.00 0.00 N ATOM 205 CA PHE A 22 -4.140 2.450 9.310 1.00 0.00 C ATOM 206 C PHE A 22 -3.160 3.560 8.940 1.00 0.00 C ATOM 207 O PHE A 22 -1.940 3.370 8.940 1.00 0.00 O ATOM 208 CB PHE A 22 -3.860 1.160 8.530 1.00 0.00 C ATOM 209 CG PHE A 22 -3.310 1.250 7.110 1.00 0.00 C ATOM 210 CD1 PHE A 22 -3.820 2.140 6.170 1.00 0.00 C ATOM 211 CD2 PHE A 22 -2.280 0.390 6.770 1.00 0.00 C ATOM 212 CE1 PHE A 22 -3.280 2.180 4.890 1.00 0.00 C ATOM 213 CE2 PHE A 22 -1.740 0.420 5.490 1.00 0.00 C ATOM 214 CZ PHE A 22 -2.240 1.320 4.560 1.00 0.00 C ATOM 0 H PHE A 22 -6.016 2.122 8.488 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.941 2.361 10.378 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.157 0.569 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.791 0.596 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.634 2.799 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.895 -0.306 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.666 2.874 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.938 -0.252 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.816 1.352 3.567 1.00 0.00 H new ATOM 216 N ARG A 23 -3.670 4.780 8.950 1.00 0.00 N ATOM 217 CA ARG A 23 -3.050 5.990 8.370 1.00 0.00 C ATOM 218 C ARG A 23 -1.720 6.370 9.030 1.00 0.00 C ATOM 219 O ARG A 23 -0.670 6.120 8.440 1.00 0.00 O ATOM 220 CB ARG A 23 -4.120 7.070 8.440 1.00 0.00 C ATOM 221 CG ARG A 23 -4.000 8.040 7.260 1.00 0.00 C ATOM 222 CD ARG A 23 -3.470 9.410 7.690 1.00 0.00 C ATOM 223 NE ARG A 23 -4.490 10.170 8.420 1.00 0.00 N ATOM 224 CZ ARG A 23 -4.290 10.880 9.540 1.00 0.00 C ATOM 225 NH1 ARG A 23 -3.080 11.010 10.100 1.00 0.00 N ATOM 226 NH2 ARG A 23 -5.300 11.550 10.090 1.00 0.00 N ATOM 0 H ARG A 23 -4.573 4.978 9.381 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.747 5.825 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.108 6.609 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.027 7.619 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.335 7.615 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.976 8.161 6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.590 9.281 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.154 9.972 6.811 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.437 10.157 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.270 10.560 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.969 11.559 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.224 11.523 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.150 12.090 10.942 1.00 0.00 H new ATOM 233 N MET A 24 -1.770 6.900 10.250 1.00 0.00 N ATOM 234 CA MET A 24 -0.570 7.230 11.030 1.00 0.00 C ATOM 235 C MET A 24 0.460 6.100 11.130 1.00 0.00 C ATOM 236 O MET A 24 1.610 6.260 10.730 1.00 0.00 O ATOM 237 CB MET A 24 -0.940 7.710 12.430 1.00 0.00 C ATOM 238 CG MET A 24 -1.290 9.200 12.450 1.00 0.00 C ATOM 239 SD MET A 24 0.100 10.270 11.950 1.00 0.00 S ATOM 240 CE MET A 24 -0.590 11.870 12.320 1.00 0.00 C ATOM 0 H MET A 24 -2.644 7.115 10.730 1.00 0.00 H new ATOM 0 HA MET A 24 -0.090 8.032 10.470 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.788 7.133 12.799 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.108 7.524 13.109 1.00 0.00 H new ATOM 0 HG2 MET A 24 -2.135 9.377 11.784 1.00 0.00 H new ATOM 0 HG3 MET A 24 -1.611 9.478 13.454 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.549 12.498 11.430 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.627 11.755 12.636 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.017 12.337 13.121 1.00 0.00 H new ATOM 242 N TYR A 25 -0.060 4.910 11.440 1.00 0.00 N ATOM 243 CA TYR A 25 0.690 3.650 11.500 1.00 0.00 C ATOM 244 C TYR A 25 1.610 3.450 10.300 1.00 0.00 C ATOM 245 O TYR A 25 2.830 3.600 10.440 1.00 0.00 O ATOM 246 CB TYR A 25 -0.400 2.590 11.690 1.00 0.00 C ATOM 247 CG TYR A 25 -0.090 1.160 11.240 1.00 0.00 C ATOM 248 CD1 TYR A 25 -0.430 0.820 9.930 1.00 0.00 C ATOM 249 CD2 TYR A 25 0.420 0.240 12.140 1.00 0.00 C ATOM 250 CE1 TYR A 25 -0.250 -0.490 9.500 1.00 0.00 C ATOM 251 CE2 TYR A 25 0.590 -1.080 11.720 1.00 0.00 C ATOM 252 CZ TYR A 25 0.240 -1.410 10.420 1.00 0.00 C ATOM 253 OH TYR A 25 0.180 -2.720 10.040 1.00 0.00 O ATOM 0 H TYR A 25 -1.048 4.792 11.664 1.00 0.00 H new ATOM 0 HA TYR A 25 1.410 3.609 12.318 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.657 2.560 12.749 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.289 2.924 11.155 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.828 1.566 9.258 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.681 0.537 13.145 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.483 -0.783 8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.985 -1.827 12.392 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.556 -2.843 9.405 1.00 0.00 H new ATOM 256 N ALA A 26 1.020 3.450 9.110 1.00 0.00 N ATOM 257 CA ALA A 26 1.710 3.290 7.820 1.00 0.00 C ATOM 258 C ALA A 26 2.770 4.370 7.570 1.00 0.00 C ATOM 259 O ALA A 26 3.960 4.050 7.490 1.00 0.00 O ATOM 260 CB ALA A 26 0.680 3.270 6.690 1.00 0.00 C ATOM 0 H ALA A 26 0.012 3.565 9.005 1.00 0.00 H new ATOM 0 HA ALA A 26 2.246 2.341 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.191 3.152 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.008 2.438 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.122 4.206 6.690 1.00 0.00 H new ATOM 262 N GLU A 27 2.340 5.610 7.760 1.00 0.00 N ATOM 263 CA GLU A 27 3.150 6.830 7.560 1.00 0.00 C ATOM 264 C GLU A 27 4.450 6.820 8.370 1.00 0.00 C ATOM 265 O GLU A 27 5.530 6.650 7.810 1.00 0.00 O ATOM 266 CB GLU A 27 2.290 8.050 7.910 1.00 0.00 C ATOM 267 CG GLU A 27 1.130 8.200 6.940 1.00 0.00 C ATOM 268 CD GLU A 27 0.060 9.200 7.400 1.00 0.00 C ATOM 269 OE1 GLU A 27 -0.100 9.420 8.620 1.00 0.00 O ATOM 270 OE2 GLU A 27 -0.650 9.670 6.490 1.00 0.00 O ATOM 0 H GLU A 27 1.389 5.814 8.067 1.00 0.00 H new ATOM 0 HA GLU A 27 3.455 6.872 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.908 7.950 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.905 8.950 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.517 8.517 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.664 7.226 6.793 1.00 0.00 H new ATOM 272 N ASP A 28 4.260 6.700 9.680 1.00 0.00 N ATOM 273 CA ASP A 28 5.330 6.660 10.690 1.00 0.00 C ATOM 274 C ASP A 28 6.330 5.530 10.430 1.00 0.00 C ATOM 275 O ASP A 28 7.490 5.820 10.130 1.00 0.00 O ATOM 276 CB ASP A 28 4.720 6.550 12.090 1.00 0.00 C ATOM 277 CG ASP A 28 4.100 7.880 12.540 1.00 0.00 C ATOM 278 OD1 ASP A 28 4.860 8.670 13.150 1.00 0.00 O ATOM 279 OD2 ASP A 28 2.890 8.070 12.290 1.00 0.00 O ATOM 0 H ASP A 28 3.329 6.625 10.089 1.00 0.00 H new ATOM 0 HA ASP A 28 5.892 7.591 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.957 5.772 12.095 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.489 6.247 12.800 1.00 0.00 H new ATOM 281 N GLU A 29 5.810 4.320 10.280 1.00 0.00 N ATOM 282 CA GLU A 29 6.620 3.110 10.020 1.00 0.00 C ATOM 283 C GLU A 29 7.460 3.250 8.750 1.00 0.00 C ATOM 284 O GLU A 29 8.680 3.390 8.850 1.00 0.00 O ATOM 285 CB GLU A 29 5.730 1.870 9.920 1.00 0.00 C ATOM 286 CG GLU A 29 5.060 1.480 11.230 1.00 0.00 C ATOM 287 CD GLU A 29 4.050 0.350 10.990 1.00 0.00 C ATOM 288 OE1 GLU A 29 2.960 0.680 10.470 1.00 0.00 O ATOM 289 OE2 GLU A 29 4.380 -0.800 11.350 1.00 0.00 O ATOM 0 H GLU A 29 4.808 4.136 10.333 1.00 0.00 H new ATOM 0 HA GLU A 29 7.300 2.994 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.960 2.048 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.331 1.032 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.812 1.159 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.555 2.345 11.660 1.00 0.00 H new ATOM 291 N ALA A 30 6.790 3.500 7.630 1.00 0.00 N ATOM 292 CA ALA A 30 7.400 3.590 6.300 1.00 0.00 C ATOM 293 C ALA A 30 8.540 4.600 6.200 1.00 0.00 C ATOM 294 O ALA A 30 9.650 4.230 5.820 1.00 0.00 O ATOM 295 CB ALA A 30 6.310 3.910 5.270 1.00 0.00 C ATOM 0 H ALA A 30 5.781 3.650 7.617 1.00 0.00 H new ATOM 0 HA ALA A 30 7.855 2.621 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.756 3.979 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.560 3.119 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.839 4.860 5.522 1.00 0.00 H new ATOM 297 N ARG A 31 8.320 5.790 6.750 1.00 0.00 N ATOM 298 CA ARG A 31 9.330 6.860 6.860 1.00 0.00 C ATOM 299 C ARG A 31 10.610 6.360 7.550 1.00 0.00 C ATOM 300 O ARG A 31 11.640 6.230 6.900 1.00 0.00 O ATOM 301 CB ARG A 31 8.770 8.060 7.610 1.00 0.00 C ATOM 302 CG ARG A 31 7.690 8.800 6.800 1.00 0.00 C ATOM 303 CD ARG A 31 7.080 9.940 7.620 1.00 0.00 C ATOM 304 NE ARG A 31 6.030 10.600 6.820 1.00 0.00 N ATOM 305 CZ ARG A 31 6.060 11.860 6.360 1.00 0.00 C ATOM 306 NH1 ARG A 31 7.080 12.690 6.590 1.00 0.00 N ATOM 307 NH2 ARG A 31 5.000 12.330 5.680 1.00 0.00 N ATOM 0 H ARG A 31 7.416 6.052 7.144 1.00 0.00 H new ATOM 0 HA ARG A 31 9.587 7.166 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.347 7.728 8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.581 8.749 7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.126 9.198 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.908 8.101 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.659 9.553 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.851 10.659 7.896 1.00 0.00 H new ATOM 0 HE ARG A 31 5.204 10.046 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.881 12.374 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.058 13.640 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.190 11.731 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.006 13.286 5.323 1.00 0.00 H new ATOM 314 N LYS A 32 10.410 5.830 8.750 1.00 0.00 N ATOM 315 CA LYS A 32 11.460 5.270 9.610 1.00 0.00 C ATOM 316 C LYS A 32 12.240 4.120 8.970 1.00 0.00 C ATOM 317 O LYS A 32 13.440 4.000 9.170 1.00 0.00 O ATOM 318 CB LYS A 32 10.850 4.810 10.940 1.00 0.00 C ATOM 319 CG LYS A 32 10.310 5.980 11.770 1.00 0.00 C ATOM 320 CD LYS A 32 9.480 5.460 12.950 1.00 0.00 C ATOM 321 CE LYS A 32 8.870 6.590 13.780 1.00 0.00 C ATOM 322 NZ LYS A 32 7.910 7.370 12.990 1.00 0.00 N ATOM 0 H LYS A 32 9.483 5.773 9.171 1.00 0.00 H new ATOM 0 HA LYS A 32 12.181 6.071 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.042 4.105 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.605 4.276 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.138 6.586 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.697 6.627 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.683 4.818 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.111 4.843 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.371 6.174 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.661 7.245 14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.039 7.509 13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.323 8.296 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.687 6.859 12.112 1.00 0.00 H new ATOM 327 N ILE A 33 11.540 3.310 8.170 1.00 0.00 N ATOM 328 CA ILE A 33 12.120 2.140 7.490 1.00 0.00 C ATOM 329 C ILE A 33 12.320 2.290 5.980 1.00 0.00 C ATOM 330 O ILE A 33 12.130 1.350 5.210 1.00 0.00 O ATOM 331 CB ILE A 33 11.410 0.850 7.880 1.00 0.00 C ATOM 332 CG1 ILE A 33 9.900 0.890 7.630 1.00 0.00 C ATOM 333 CG2 ILE A 33 11.820 0.470 9.300 1.00 0.00 C ATOM 334 CD1 ILE A 33 9.110 -0.380 7.970 1.00 0.00 C ATOM 0 H ILE A 33 10.549 3.446 7.973 1.00 0.00 H new ATOM 0 HA ILE A 33 13.141 2.076 7.866 1.00 0.00 H new ATOM 0 HB ILE A 33 11.734 0.045 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.482 1.715 8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.736 1.121 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.317 -0.453 9.589 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.899 0.323 9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.537 1.268 9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.055 -0.222 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.486 -1.212 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.228 -0.609 9.029 1.00 0.00 H new ATOM 336 N GLY A 34 12.660 3.510 5.560 1.00 0.00 N ATOM 337 CA GLY A 34 13.140 3.850 4.220 1.00 0.00 C ATOM 338 C GLY A 34 12.200 3.560 3.040 1.00 0.00 C ATOM 339 O GLY A 34 12.640 3.300 1.920 1.00 0.00 O ATOM 0 H GLY A 34 12.606 4.324 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.379 4.913 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.072 3.311 4.049 1.00 0.00 H new ATOM 341 N VAL A 35 10.900 3.700 3.300 1.00 0.00 N ATOM 342 CA VAL A 35 9.820 3.510 2.330 1.00 0.00 C ATOM 343 C VAL A 35 9.000 4.800 2.320 1.00 0.00 C ATOM 344 O VAL A 35 8.460 5.250 3.330 1.00 0.00 O ATOM 345 CB VAL A 35 8.980 2.290 2.720 1.00 0.00 C ATOM 346 CG1 VAL A 35 7.760 2.090 1.820 1.00 0.00 C ATOM 347 CG2 VAL A 35 9.820 1.020 2.710 1.00 0.00 C ATOM 0 H VAL A 35 10.557 3.958 4.225 1.00 0.00 H new ATOM 0 HA VAL A 35 10.202 3.315 1.328 1.00 0.00 H new ATOM 0 HB VAL A 35 8.621 2.490 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.206 1.210 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.116 2.967 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.087 1.950 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.198 0.170 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.225 0.859 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.640 1.120 3.421 1.00 0.00 H new ATOM 349 N VAL A 36 8.970 5.430 1.140 1.00 0.00 N ATOM 350 CA VAL A 36 8.360 6.750 0.980 1.00 0.00 C ATOM 351 C VAL A 36 7.330 6.830 -0.140 1.00 0.00 C ATOM 352 O VAL A 36 7.160 5.870 -0.900 1.00 0.00 O ATOM 353 CB VAL A 36 9.420 7.860 0.930 1.00 0.00 C ATOM 354 CG1 VAL A 36 10.060 8.050 2.300 1.00 0.00 C ATOM 355 CG2 VAL A 36 10.500 7.650 -0.130 1.00 0.00 C ATOM 0 H VAL A 36 9.363 5.044 0.282 1.00 0.00 H new ATOM 0 HA VAL A 36 7.770 6.924 1.880 1.00 0.00 H new ATOM 0 HB VAL A 36 8.884 8.763 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.809 8.840 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.294 8.325 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.536 7.120 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.208 8.478 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.026 6.716 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.038 7.606 -1.116 1.00 0.00 H new ATOM 357 N GLY A 37 6.530 7.900 -0.110 1.00 0.00 N ATOM 358 CA GLY A 37 5.440 8.180 -1.050 1.00 0.00 C ATOM 359 C GLY A 37 4.300 8.930 -0.360 1.00 0.00 C ATOM 360 O GLY A 37 4.490 9.940 0.310 1.00 0.00 O ATOM 0 H GLY A 37 6.628 8.626 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.817 8.772 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.065 7.245 -1.467 1.00 0.00 H new ATOM 362 N TRP A 38 3.130 8.290 -0.410 1.00 0.00 N ATOM 363 CA TRP A 38 1.850 8.870 0.030 1.00 0.00 C ATOM 364 C TRP A 38 0.730 7.850 0.240 1.00 0.00 C ATOM 365 O TRP A 38 0.890 6.670 -0.040 1.00 0.00 O ATOM 366 CB TRP A 38 1.390 9.970 -0.930 1.00 0.00 C ATOM 367 CG TRP A 38 1.350 9.590 -2.410 1.00 0.00 C ATOM 368 CD1 TRP A 38 2.320 9.850 -3.270 1.00 0.00 C ATOM 369 CD2 TRP A 38 0.280 9.080 -3.140 1.00 0.00 C ATOM 370 NE1 TRP A 38 1.930 9.530 -4.510 1.00 0.00 N ATOM 371 CE2 TRP A 38 0.690 9.070 -4.460 1.00 0.00 C ATOM 372 CE3 TRP A 38 -0.980 8.620 -2.780 1.00 0.00 C ATOM 373 CZ2 TRP A 38 -0.150 8.600 -5.470 1.00 0.00 C ATOM 374 CZ3 TRP A 38 -1.820 8.150 -3.790 1.00 0.00 C ATOM 375 CH2 TRP A 38 -1.410 8.130 -5.120 1.00 0.00 C ATOM 0 H TRP A 38 3.039 7.337 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 38 2.054 9.296 1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.393 10.293 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.052 10.828 -0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.285 10.260 -3.010 1.00 0.00 H new ATOM 0 HE1 TRP A 38 2.495 9.625 -5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.300 8.626 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 0.172 8.601 -6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.808 7.795 -3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.073 7.748 -5.882 1.00 0.00 H new ATOM 378 N VAL A 39 -0.290 8.310 0.960 1.00 0.00 N ATOM 379 CA VAL A 39 -1.590 7.640 1.150 1.00 0.00 C ATOM 380 C VAL A 39 -2.670 8.610 0.660 1.00 0.00 C ATOM 381 O VAL A 39 -2.580 9.820 0.880 1.00 0.00 O ATOM 382 CB VAL A 39 -1.800 7.300 2.620 1.00 0.00 C ATOM 383 CG1 VAL A 39 -3.140 6.600 2.870 1.00 0.00 C ATOM 384 CG2 VAL A 39 -0.710 6.390 3.190 1.00 0.00 C ATOM 0 H VAL A 39 -0.238 9.201 1.453 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.632 6.705 0.591 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.772 8.267 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.242 6.379 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.955 7.251 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.177 5.671 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.919 6.186 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.692 5.452 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.258 6.883 3.102 1.00 0.00 H new ATOM 386 N LYS A 40 -3.640 8.100 -0.100 1.00 0.00 N ATOM 387 CA LYS A 40 -4.800 8.870 -0.550 1.00 0.00 C ATOM 388 C LYS A 40 -6.090 8.050 -0.460 1.00 0.00 C ATOM 389 O LYS A 40 -6.160 6.910 -0.930 1.00 0.00 O ATOM 390 CB LYS A 40 -4.570 9.320 -1.990 1.00 0.00 C ATOM 391 CG LYS A 40 -5.690 10.150 -2.610 1.00 0.00 C ATOM 392 CD LYS A 40 -5.900 9.750 -4.070 1.00 0.00 C ATOM 393 CE LYS A 40 -7.080 10.520 -4.670 1.00 0.00 C ATOM 394 NZ LYS A 40 -7.340 10.010 -6.030 1.00 0.00 N ATOM 0 H LYS A 40 -3.642 7.133 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.914 9.736 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.649 9.901 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.414 8.435 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.613 10.004 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.444 11.210 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.996 9.954 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.085 8.678 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.966 10.399 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.857 11.586 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.140 10.527 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.494 10.147 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.569 8.997 -5.983 1.00 0.00 H new ATOM 399 N ASN A 41 -7.140 8.710 0.030 1.00 0.00 N ATOM 400 CA ASN A 41 -8.500 8.170 0.060 1.00 0.00 C ATOM 401 C ASN A 41 -9.270 8.470 -1.230 1.00 0.00 C ATOM 402 O ASN A 41 -9.290 9.590 -1.740 1.00 0.00 O ATOM 403 CB ASN A 41 -9.290 8.640 1.280 1.00 0.00 C ATOM 404 CG ASN A 41 -9.240 10.150 1.520 1.00 0.00 C ATOM 405 OD1 ASN A 41 -8.240 10.710 1.970 1.00 0.00 O ATOM 406 ND2 ASN A 41 -10.370 10.840 1.410 1.00 0.00 N ATOM 0 H ASN A 41 -7.069 9.649 0.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.388 7.089 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.330 8.337 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.907 8.131 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.400 11.819 1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.208 10.391 1.039 1.00 0.00 H new ATOM 410 N THR A 42 -10.030 7.450 -1.620 1.00 0.00 N ATOM 411 CA THR A 42 -10.950 7.390 -2.770 1.00 0.00 C ATOM 412 C THR A 42 -12.260 8.120 -2.460 1.00 0.00 C ATOM 413 O THR A 42 -13.340 7.790 -2.950 1.00 0.00 O ATOM 414 CB THR A 42 -11.270 5.910 -2.950 1.00 0.00 C ATOM 415 OG1 THR A 42 -11.780 5.490 -1.680 1.00 0.00 O ATOM 416 CG2 THR A 42 -10.070 5.070 -3.400 1.00 0.00 C ATOM 0 H THR A 42 -10.023 6.570 -1.104 1.00 0.00 H new ATOM 0 HA THR A 42 -10.501 7.851 -3.650 1.00 0.00 H new ATOM 0 HB THR A 42 -11.990 5.764 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.683 4.519 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.374 4.029 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.705 5.441 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.276 5.142 -2.656 1.00 0.00 H new ATOM 419 N SER A 43 -12.110 9.220 -1.730 1.00 0.00 N ATOM 420 CA SER A 43 -13.080 9.870 -0.840 1.00 0.00 C ATOM 421 C SER A 43 -13.460 9.020 0.370 1.00 0.00 C ATOM 422 O SER A 43 -13.080 9.410 1.470 1.00 0.00 O ATOM 423 CB SER A 43 -14.320 10.470 -1.510 1.00 0.00 C ATOM 424 OG SER A 43 -15.300 9.480 -1.840 1.00 0.00 O ATOM 0 H SER A 43 -11.227 9.730 -1.744 1.00 0.00 H new ATOM 0 HA SER A 43 -12.516 10.732 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 -14.766 11.210 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 -14.020 10.996 -2.417 1.00 0.00 H new ATOM 0 HG SER A 43 -14.862 8.719 -2.275 1.00 0.00 H new ATOM 427 N LYS A 44 -13.850 7.760 0.160 1.00 0.00 N ATOM 428 CA LYS A 44 -14.480 6.940 1.200 1.00 0.00 C ATOM 429 C LYS A 44 -13.940 5.510 1.310 1.00 0.00 C ATOM 430 O LYS A 44 -13.800 4.800 0.310 1.00 0.00 O ATOM 431 CB LYS A 44 -15.980 6.930 0.920 1.00 0.00 C ATOM 432 CG LYS A 44 -16.820 6.420 2.090 1.00 0.00 C ATOM 433 CD LYS A 44 -18.320 6.390 1.790 1.00 0.00 C ATOM 434 CE LYS A 44 -18.920 7.790 1.660 1.00 0.00 C ATOM 435 NZ LYS A 44 -20.360 7.680 1.380 1.00 0.00 N ATOM 0 H LYS A 44 -13.739 7.280 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.244 7.388 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.300 7.941 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.173 6.307 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.489 5.416 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.643 7.054 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.491 5.838 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.835 5.850 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.759 8.353 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.423 8.338 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.770 8.632 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.502 7.158 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.827 7.173 2.159 1.00 0.00 H new ATOM 440 N GLY A 45 -13.660 5.130 2.550 1.00 0.00 N ATOM 441 CA GLY A 45 -13.410 3.740 2.960 1.00 0.00 C ATOM 442 C GLY A 45 -12.010 3.190 2.670 1.00 0.00 C ATOM 443 O GLY A 45 -11.330 2.750 3.600 1.00 0.00 O ATOM 0 H GLY A 45 -13.597 5.791 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.594 3.661 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.139 3.100 2.463 1.00 0.00 H new ATOM 445 N THR A 46 -11.700 3.070 1.380 1.00 0.00 N ATOM 446 CA THR A 46 -10.460 2.510 0.830 1.00 0.00 C ATOM 447 C THR A 46 -9.360 3.550 0.610 1.00 0.00 C ATOM 448 O THR A 46 -9.620 4.730 0.410 1.00 0.00 O ATOM 449 CB THR A 46 -10.700 1.870 -0.540 1.00 0.00 C ATOM 450 OG1 THR A 46 -11.440 2.780 -1.360 1.00 0.00 O ATOM 451 CG2 THR A 46 -11.340 0.480 -0.450 1.00 0.00 C ATOM 0 H THR A 46 -12.340 3.377 0.648 1.00 0.00 H new ATOM 0 HA THR A 46 -10.141 1.785 1.578 1.00 0.00 H new ATOM 0 HB THR A 46 -9.735 1.687 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.595 2.376 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.484 0.080 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.687 -0.185 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.304 0.555 0.053 1.00 0.00 H new ATOM 454 N VAL A 47 -8.130 3.040 0.570 1.00 0.00 N ATOM 455 CA VAL A 47 -6.970 3.840 0.190 1.00 0.00 C ATOM 456 C VAL A 47 -6.140 3.270 -0.960 1.00 0.00 C ATOM 457 O VAL A 47 -5.790 2.090 -1.020 1.00 0.00 O ATOM 458 CB VAL A 47 -6.050 4.260 1.340 1.00 0.00 C ATOM 459 CG1 VAL A 47 -6.740 5.270 2.260 1.00 0.00 C ATOM 460 CG2 VAL A 47 -5.440 3.090 2.110 1.00 0.00 C ATOM 0 H VAL A 47 -7.912 2.070 0.798 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.458 4.745 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.197 4.757 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.062 5.549 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.009 6.158 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.640 4.823 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.802 3.472 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.236 2.484 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.846 2.478 1.431 1.00 0.00 H new ATOM 462 N THR A 48 -5.890 4.200 -1.870 1.00 0.00 N ATOM 463 CA THR A 48 -4.910 4.110 -2.970 1.00 0.00 C ATOM 464 C THR A 48 -3.740 5.040 -2.620 1.00 0.00 C ATOM 465 O THR A 48 -3.890 6.250 -2.550 1.00 0.00 O ATOM 466 CB THR A 48 -5.510 4.560 -4.300 1.00 0.00 C ATOM 467 OG1 THR A 48 -6.340 5.710 -4.110 1.00 0.00 O ATOM 468 CG2 THR A 48 -6.250 3.450 -5.040 1.00 0.00 C ATOM 0 H THR A 48 -6.387 5.091 -1.871 1.00 0.00 H new ATOM 0 HA THR A 48 -4.592 3.073 -3.080 1.00 0.00 H new ATOM 0 HB THR A 48 -4.674 4.832 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.852 6.384 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.650 3.840 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.561 2.633 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.068 3.083 -4.421 1.00 0.00 H new ATOM 471 N GLY A 49 -2.650 4.390 -2.200 1.00 0.00 N ATOM 472 CA GLY A 49 -1.410 5.050 -1.780 1.00 0.00 C ATOM 473 C GLY A 49 -0.220 4.620 -2.640 1.00 0.00 C ATOM 474 O GLY A 49 -0.320 3.660 -3.390 1.00 0.00 O ATOM 0 H GLY A 49 -2.604 3.373 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.534 6.131 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.208 4.814 -0.735 1.00 0.00 H new ATOM 476 N GLN A 50 0.940 5.220 -2.390 1.00 0.00 N ATOM 477 CA GLN A 50 2.190 4.920 -3.110 1.00 0.00 C ATOM 478 C GLN A 50 3.370 4.650 -2.190 1.00 0.00 C ATOM 479 O GLN A 50 3.670 5.440 -1.290 1.00 0.00 O ATOM 480 CB GLN A 50 2.530 6.060 -4.070 1.00 0.00 C ATOM 481 CG GLN A 50 3.440 5.600 -5.210 1.00 0.00 C ATOM 482 CD GLN A 50 3.840 6.730 -6.150 1.00 0.00 C ATOM 483 OE1 GLN A 50 4.980 7.200 -6.160 1.00 0.00 O ATOM 484 NE2 GLN A 50 2.900 7.200 -6.970 1.00 0.00 N ATOM 0 H GLN A 50 1.048 5.938 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 50 2.011 3.999 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.609 6.471 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.018 6.864 -3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.339 5.150 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.932 4.823 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.961 6.802 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.120 7.958 -7.616 1.00 0.00 H new ATOM 488 N VAL A 51 4.060 3.560 -2.530 1.00 0.00 N ATOM 489 CA VAL A 51 5.300 3.030 -1.940 1.00 0.00 C ATOM 490 C VAL A 51 6.390 3.080 -3.000 1.00 0.00 C ATOM 491 O VAL A 51 6.280 2.480 -4.070 1.00 0.00 O ATOM 492 CB VAL A 51 5.040 1.610 -1.440 1.00 0.00 C ATOM 493 CG1 VAL A 51 6.290 0.750 -1.200 1.00 0.00 C ATOM 494 CG2 VAL A 51 4.220 1.630 -0.150 1.00 0.00 C ATOM 0 H VAL A 51 3.739 2.968 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 51 5.628 3.624 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 51 4.494 1.143 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.990 -0.237 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.846 0.649 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.921 1.227 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.047 0.608 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.764 2.179 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.263 2.118 -0.335 1.00 0.00 H new ATOM 496 N GLN A 52 7.430 3.840 -2.680 1.00 0.00 N ATOM 497 CA GLN A 52 8.670 4.000 -3.460 1.00 0.00 C ATOM 498 C GLN A 52 9.340 2.660 -3.790 1.00 0.00 C ATOM 499 O GLN A 52 9.280 1.740 -2.970 1.00 0.00 O ATOM 500 CB GLN A 52 9.630 4.930 -2.710 1.00 0.00 C ATOM 501 CG GLN A 52 10.520 4.320 -1.620 1.00 0.00 C ATOM 502 CD GLN A 52 11.840 3.760 -2.150 1.00 0.00 C ATOM 503 OE1 GLN A 52 12.270 3.990 -3.280 1.00 0.00 O ATOM 504 NE2 GLN A 52 12.610 3.110 -1.290 1.00 0.00 N ATOM 0 H GLN A 52 7.440 4.395 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 52 8.406 4.447 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.280 5.402 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.038 5.723 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.733 5.081 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.972 3.522 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.269 2.911 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.544 2.808 -1.568 1.00 0.00 H new ATOM 508 N GLY A 53 10.140 2.720 -4.840 1.00 0.00 N ATOM 509 CA GLY A 53 10.900 1.610 -5.440 1.00 0.00 C ATOM 510 C GLY A 53 11.120 0.370 -4.560 1.00 0.00 C ATOM 511 O GLY A 53 12.060 0.370 -3.770 1.00 0.00 O ATOM 0 H GLY A 53 10.294 3.597 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.385 1.296 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.876 1.990 -5.743 1.00 0.00 H new ATOM 513 N PRO A 54 10.280 -0.650 -4.710 1.00 0.00 N ATOM 514 CA PRO A 54 10.570 -1.990 -4.200 1.00 0.00 C ATOM 515 C PRO A 54 11.830 -2.600 -4.830 1.00 0.00 C ATOM 516 O PRO A 54 11.850 -3.000 -6.000 1.00 0.00 O ATOM 517 CB PRO A 54 9.330 -2.830 -4.500 1.00 0.00 C ATOM 518 CG PRO A 54 8.220 -1.790 -4.320 1.00 0.00 C ATOM 519 CD PRO A 54 8.830 -0.540 -4.940 1.00 0.00 C ATOM 0 HA PRO A 54 10.782 -1.955 -3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.347 -3.244 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.224 -3.669 -3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.301 -2.086 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.971 -1.641 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.606 -0.481 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.428 0.362 -4.479 1.00 0.00 H new ATOM 520 N GLU A 55 12.920 -2.240 -4.160 1.00 0.00 N ATOM 521 CA GLU A 55 14.260 -2.800 -4.390 1.00 0.00 C ATOM 522 C GLU A 55 14.780 -3.430 -3.090 1.00 0.00 C ATOM 523 O GLU A 55 14.900 -2.770 -2.060 1.00 0.00 O ATOM 524 CB GLU A 55 15.220 -1.800 -5.040 1.00 0.00 C ATOM 525 CG GLU A 55 15.230 -0.360 -4.510 1.00 0.00 C ATOM 526 CD GLU A 55 15.980 -0.170 -3.190 1.00 0.00 C ATOM 527 OE1 GLU A 55 17.220 -0.060 -3.250 1.00 0.00 O ATOM 528 OE2 GLU A 55 15.290 -0.050 -2.160 1.00 0.00 O ATOM 0 H GLU A 55 12.903 -1.535 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 55 14.190 -3.597 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.230 -2.197 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.991 -1.762 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.679 0.287 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.200 -0.029 -4.378 1.00 0.00 H new ATOM 530 N GLU A 56 14.660 -4.750 -3.090 1.00 0.00 N ATOM 531 CA GLU A 56 15.060 -5.670 -2.020 1.00 0.00 C ATOM 532 C GLU A 56 14.470 -5.410 -0.630 1.00 0.00 C ATOM 533 O GLU A 56 13.360 -5.870 -0.350 1.00 0.00 O ATOM 534 CB GLU A 56 16.530 -6.100 -2.010 1.00 0.00 C ATOM 535 CG GLU A 56 17.590 -5.180 -2.600 1.00 0.00 C ATOM 536 CD GLU A 56 17.730 -3.810 -1.930 1.00 0.00 C ATOM 537 OE1 GLU A 56 17.710 -3.770 -0.680 1.00 0.00 O ATOM 538 OE2 GLU A 56 17.770 -2.820 -2.690 1.00 0.00 O ATOM 0 H GLU A 56 14.256 -5.244 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 56 14.534 -6.569 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.806 -6.292 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.594 -7.051 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.553 -5.688 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.364 -5.026 -3.655 1.00 0.00 H new ATOM 540 N LYS A 57 15.120 -4.590 0.200 1.00 0.00 N ATOM 541 CA LYS A 57 14.680 -4.210 1.550 1.00 0.00 C ATOM 542 C LYS A 57 13.220 -3.750 1.580 1.00 0.00 C ATOM 543 O LYS A 57 12.400 -4.360 2.260 1.00 0.00 O ATOM 544 CB LYS A 57 15.610 -3.090 2.020 1.00 0.00 C ATOM 545 CG LYS A 57 15.360 -2.650 3.470 1.00 0.00 C ATOM 546 CD LYS A 57 15.760 -1.190 3.690 1.00 0.00 C ATOM 547 CE LYS A 57 14.760 -0.230 3.040 1.00 0.00 C ATOM 548 NZ LYS A 57 15.230 1.150 3.160 1.00 0.00 N ATOM 0 H LYS A 57 16.005 -4.153 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 57 14.732 -5.075 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.643 -3.423 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.490 -2.229 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.306 -2.780 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.925 -3.289 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.820 -0.985 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.753 -1.017 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.630 -0.487 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.785 -0.332 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.596 1.780 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.235 1.429 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.193 1.223 2.775 1.00 0.00 H new ATOM 553 N VAL A 58 12.910 -2.820 0.680 1.00 0.00 N ATOM 554 CA VAL A 58 11.600 -2.170 0.530 1.00 0.00 C ATOM 555 C VAL A 58 10.480 -3.190 0.320 1.00 0.00 C ATOM 556 O VAL A 58 9.430 -3.090 0.960 1.00 0.00 O ATOM 557 CB VAL A 58 11.640 -1.100 -0.560 1.00 0.00 C ATOM 558 CG1 VAL A 58 10.310 -0.370 -0.720 1.00 0.00 C ATOM 559 CG2 VAL A 58 12.710 -0.050 -0.270 1.00 0.00 C ATOM 0 H VAL A 58 13.592 -2.480 0.002 1.00 0.00 H new ATOM 0 HA VAL A 58 11.369 -1.659 1.465 1.00 0.00 H new ATOM 0 HB VAL A 58 11.867 -1.637 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.398 0.378 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.532 -1.086 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.049 0.120 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.712 0.696 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.496 0.435 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.687 -0.530 -0.221 1.00 0.00 H new ATOM 561 N ASN A 59 10.780 -4.260 -0.410 1.00 0.00 N ATOM 562 CA ASN A 59 9.830 -5.350 -0.690 1.00 0.00 C ATOM 563 C ASN A 59 9.230 -6.020 0.550 1.00 0.00 C ATOM 564 O ASN A 59 8.030 -6.310 0.560 1.00 0.00 O ATOM 565 CB ASN A 59 10.470 -6.430 -1.580 1.00 0.00 C ATOM 566 CG ASN A 59 10.810 -5.890 -2.970 1.00 0.00 C ATOM 567 OD1 ASN A 59 11.810 -5.220 -3.190 1.00 0.00 O ATOM 568 ND2 ASN A 59 9.910 -6.100 -3.930 1.00 0.00 N ATOM 0 H ASN A 59 11.698 -4.403 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 59 9.006 -4.859 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.376 -6.804 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.788 -7.275 -1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.052 -5.701 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.080 -6.660 -3.737 1.00 0.00 H new ATOM 572 N SER A 60 10.010 -6.150 1.620 1.00 0.00 N ATOM 573 CA SER A 60 9.540 -6.740 2.880 1.00 0.00 C ATOM 574 C SER A 60 8.390 -5.960 3.520 1.00 0.00 C ATOM 575 O SER A 60 7.420 -6.550 4.010 1.00 0.00 O ATOM 576 CB SER A 60 10.670 -6.900 3.900 1.00 0.00 C ATOM 577 OG SER A 60 11.020 -5.650 4.500 1.00 0.00 O ATOM 0 H SER A 60 10.985 -5.851 1.643 1.00 0.00 H new ATOM 0 HA SER A 60 9.166 -7.726 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.364 -7.603 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.545 -7.327 3.410 1.00 0.00 H new ATOM 0 HG SER A 60 11.357 -5.040 3.811 1.00 0.00 H new ATOM 580 N MET A 61 8.410 -4.640 3.330 1.00 0.00 N ATOM 581 CA MET A 61 7.360 -3.720 3.790 1.00 0.00 C ATOM 582 C MET A 61 6.030 -3.920 3.060 1.00 0.00 C ATOM 583 O MET A 61 4.960 -3.760 3.660 1.00 0.00 O ATOM 584 CB MET A 61 7.830 -2.270 3.690 1.00 0.00 C ATOM 585 CG MET A 61 9.000 -1.960 4.620 1.00 0.00 C ATOM 586 SD MET A 61 10.620 -2.570 4.030 1.00 0.00 S ATOM 587 CE MET A 61 11.680 -2.140 5.390 1.00 0.00 C ATOM 0 H MET A 61 9.171 -4.167 2.842 1.00 0.00 H new ATOM 0 HA MET A 61 7.173 -3.956 4.838 1.00 0.00 H new ATOM 0 HB2 MET A 61 8.124 -2.059 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.998 -1.606 3.927 1.00 0.00 H new ATOM 0 HG2 MET A 61 9.061 -0.881 4.759 1.00 0.00 H new ATOM 0 HG3 MET A 61 8.796 -2.396 5.598 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.555 -2.789 5.388 1.00 0.00 H new ATOM 0 HE2 MET A 61 11.998 -1.102 5.290 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.138 -2.264 6.327 1.00 0.00 H new ATOM 589 N LYS A 62 6.080 -4.380 1.820 1.00 0.00 N ATOM 590 CA LYS A 62 4.890 -4.760 1.050 1.00 0.00 C ATOM 591 C LYS A 62 4.100 -5.910 1.680 1.00 0.00 C ATOM 592 O LYS A 62 2.870 -5.900 1.670 1.00 0.00 O ATOM 593 CB LYS A 62 5.210 -5.120 -0.400 1.00 0.00 C ATOM 594 CG LYS A 62 5.770 -3.950 -1.210 1.00 0.00 C ATOM 595 CD LYS A 62 5.630 -4.180 -2.720 1.00 0.00 C ATOM 596 CE LYS A 62 6.450 -5.360 -3.260 1.00 0.00 C ATOM 597 NZ LYS A 62 6.150 -5.510 -4.690 1.00 0.00 N ATOM 0 H LYS A 62 6.953 -4.504 1.308 1.00 0.00 H new ATOM 0 HA LYS A 62 4.269 -3.864 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.930 -5.938 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.304 -5.486 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.248 -3.034 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.821 -3.806 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.579 -4.347 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.933 -3.273 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.515 -5.182 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.201 -6.274 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.696 -6.306 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.134 -5.694 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.407 -4.636 -5.192 1.00 0.00 H new ATOM 602 N SER A 63 4.800 -6.880 2.250 1.00 0.00 N ATOM 603 CA SER A 63 4.200 -7.980 3.020 1.00 0.00 C ATOM 604 C SER A 63 3.320 -7.450 4.140 1.00 0.00 C ATOM 605 O SER A 63 2.110 -7.670 4.120 1.00 0.00 O ATOM 606 CB SER A 63 5.300 -8.880 3.600 1.00 0.00 C ATOM 607 OG SER A 63 6.220 -9.220 2.570 1.00 0.00 O ATOM 0 H SER A 63 5.817 -6.933 2.195 1.00 0.00 H new ATOM 0 HA SER A 63 3.576 -8.564 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.817 -8.366 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.861 -9.783 4.024 1.00 0.00 H new ATOM 0 HG SER A 63 6.925 -9.793 2.937 1.00 0.00 H new ATOM 610 N TRP A 64 3.870 -6.510 4.910 1.00 0.00 N ATOM 611 CA TRP A 64 3.170 -5.730 5.930 1.00 0.00 C ATOM 612 C TRP A 64 1.910 -5.040 5.390 1.00 0.00 C ATOM 613 O TRP A 64 0.800 -5.420 5.750 1.00 0.00 O ATOM 614 CB TRP A 64 4.220 -4.790 6.530 1.00 0.00 C ATOM 615 CG TRP A 64 3.740 -3.520 7.240 1.00 0.00 C ATOM 616 CD1 TRP A 64 2.700 -3.450 8.070 1.00 0.00 C ATOM 617 CD2 TRP A 64 4.100 -2.220 6.920 1.00 0.00 C ATOM 618 NE1 TRP A 64 2.350 -2.170 8.230 1.00 0.00 N ATOM 619 CE2 TRP A 64 3.180 -1.390 7.550 1.00 0.00 C ATOM 620 CE3 TRP A 64 5.170 -1.670 6.210 1.00 0.00 C ATOM 621 CZ2 TRP A 64 3.270 -0.010 7.430 1.00 0.00 C ATOM 622 CZ3 TRP A 64 5.270 -0.290 6.110 1.00 0.00 C ATOM 623 CH2 TRP A 64 4.330 0.540 6.710 1.00 0.00 C ATOM 0 H TRP A 64 4.857 -6.262 4.836 1.00 0.00 H new ATOM 0 HA TRP A 64 2.760 -6.364 6.716 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.812 -5.365 7.242 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.892 -4.488 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.216 -4.294 8.539 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.563 -1.842 8.790 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.907 -2.309 5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.529 0.629 7.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.090 0.146 5.558 1.00 0.00 H new ATOM 0 HH2 TRP A 64 4.421 1.612 6.618 1.00 0.00 H new ATOM 626 N LEU A 65 2.110 -4.190 4.380 1.00 0.00 N ATOM 627 CA LEU A 65 1.080 -3.420 3.680 1.00 0.00 C ATOM 628 C LEU A 65 -0.020 -4.210 2.980 1.00 0.00 C ATOM 629 O LEU A 65 -1.000 -3.630 2.510 1.00 0.00 O ATOM 630 CB LEU A 65 1.750 -2.490 2.670 1.00 0.00 C ATOM 631 CG LEU A 65 2.540 -1.370 3.350 1.00 0.00 C ATOM 632 CD1 LEU A 65 3.680 -0.900 2.440 1.00 0.00 C ATOM 633 CD2 LEU A 65 1.640 -0.200 3.760 1.00 0.00 C ATOM 0 H LEU A 65 3.043 -4.011 4.009 1.00 0.00 H new ATOM 0 HA LEU A 65 0.561 -2.882 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.419 -3.069 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.991 -2.054 2.021 1.00 0.00 H new ATOM 0 HG LEU A 65 2.969 -1.773 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.235 -0.103 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.350 -1.735 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.267 -0.527 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.242 0.572 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.156 0.214 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.880 -0.552 4.458 1.00 0.00 H new ATOM 635 N SER A 66 0.220 -5.500 2.750 1.00 0.00 N ATOM 636 CA SER A 66 -0.810 -6.420 2.240 1.00 0.00 C ATOM 637 C SER A 66 -1.580 -7.170 3.330 1.00 0.00 C ATOM 638 O SER A 66 -2.770 -6.930 3.490 1.00 0.00 O ATOM 639 CB SER A 66 -0.310 -7.400 1.180 1.00 0.00 C ATOM 640 OG SER A 66 0.680 -8.300 1.700 1.00 0.00 O ATOM 0 H SER A 66 1.126 -5.940 2.909 1.00 0.00 H new ATOM 0 HA SER A 66 -1.511 -5.742 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.152 -7.973 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.111 -6.844 0.342 1.00 0.00 H new ATOM 0 HG SER A 66 1.085 -7.912 2.504 1.00 0.00 H new ATOM 643 N LYS A 67 -0.840 -7.840 4.210 1.00 0.00 N ATOM 644 CA LYS A 67 -1.370 -8.780 5.210 1.00 0.00 C ATOM 645 C LYS A 67 -2.130 -8.140 6.370 1.00 0.00 C ATOM 646 O LYS A 67 -3.170 -8.650 6.790 1.00 0.00 O ATOM 647 CB LYS A 67 -0.230 -9.620 5.780 1.00 0.00 C ATOM 648 CG LYS A 67 0.480 -10.480 4.720 1.00 0.00 C ATOM 649 CD LYS A 67 1.700 -11.180 5.340 1.00 0.00 C ATOM 650 CE LYS A 67 2.540 -11.930 4.310 1.00 0.00 C ATOM 651 NZ LYS A 67 1.800 -13.090 3.760 1.00 0.00 N ATOM 0 H LYS A 67 0.175 -7.745 4.253 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.097 -9.386 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.499 -8.960 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.622 -10.270 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.211 -11.222 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.795 -9.855 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.323 -10.438 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.362 -11.879 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.817 -11.254 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.467 -12.271 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.394 -13.582 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.558 -13.744 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.928 -12.759 3.300 1.00 0.00 H new ATOM 656 N VAL A 68 -1.600 -7.040 6.910 1.00 0.00 N ATOM 657 CA VAL A 68 -2.040 -6.510 8.200 1.00 0.00 C ATOM 658 C VAL A 68 -2.580 -5.080 8.220 1.00 0.00 C ATOM 659 O VAL A 68 -1.880 -4.100 7.940 1.00 0.00 O ATOM 660 CB VAL A 68 -1.000 -6.700 9.310 1.00 0.00 C ATOM 661 CG1 VAL A 68 -0.970 -8.150 9.780 1.00 0.00 C ATOM 662 CG2 VAL A 68 0.400 -6.190 8.970 1.00 0.00 C ATOM 0 H VAL A 68 -0.859 -6.496 6.468 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.910 -7.134 8.401 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.331 -6.065 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.225 -8.262 10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.951 -8.428 10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.713 -8.799 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.067 -6.367 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.776 -6.717 8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.357 -5.121 8.760 1.00 0.00 H new ATOM 664 N GLY A 69 -3.870 -5.010 8.520 1.00 0.00 N ATOM 665 CA GLY A 69 -4.560 -3.770 8.890 1.00 0.00 C ATOM 666 C GLY A 69 -4.720 -3.670 10.410 1.00 0.00 C ATOM 667 O GLY A 69 -5.760 -4.030 10.960 1.00 0.00 O ATOM 0 H GLY A 69 -4.482 -5.826 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.998 -2.912 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.540 -3.738 8.414 1.00 0.00 H new ATOM 669 N SER A 70 -3.640 -3.240 11.050 1.00 0.00 N ATOM 670 CA SER A 70 -3.560 -3.190 12.520 1.00 0.00 C ATOM 671 C SER A 70 -4.560 -2.220 13.150 1.00 0.00 C ATOM 672 O SER A 70 -5.160 -2.590 14.160 1.00 0.00 O ATOM 673 CB SER A 70 -2.130 -2.970 13.010 1.00 0.00 C ATOM 674 OG SER A 70 -1.200 -3.730 12.240 1.00 0.00 O ATOM 0 H SER A 70 -2.796 -2.916 10.577 1.00 0.00 H new ATOM 0 HA SER A 70 -3.862 -4.177 12.871 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.880 -1.911 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.055 -3.253 14.060 1.00 0.00 H new ATOM 0 HG SER A 70 -0.736 -3.139 11.611 1.00 0.00 H new ATOM 677 N PRO A 71 -4.730 -1.000 12.640 1.00 0.00 N ATOM 678 CA PRO A 71 -5.990 -0.280 12.850 1.00 0.00 C ATOM 679 C PRO A 71 -6.890 -0.620 11.660 1.00 0.00 C ATOM 680 O PRO A 71 -6.590 -0.240 10.530 1.00 0.00 O ATOM 681 CB PRO A 71 -5.640 1.210 12.870 1.00 0.00 C ATOM 682 CG PRO A 71 -4.120 1.230 13.080 1.00 0.00 C ATOM 683 CD PRO A 71 -3.660 -0.030 12.350 1.00 0.00 C ATOM 0 HA PRO A 71 -6.500 -0.545 13.776 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.921 1.699 11.937 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.161 1.732 13.673 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.666 2.128 12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.858 1.203 14.138 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.553 0.142 11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.693 -0.376 12.716 1.00 0.00 H new ATOM 684 N SER A 72 -7.830 -1.520 11.940 1.00 0.00 N ATOM 685 CA SER A 72 -8.830 -2.050 11.000 1.00 0.00 C ATOM 686 C SER A 72 -8.300 -2.930 9.870 1.00 0.00 C ATOM 687 O SER A 72 -7.610 -2.480 8.950 1.00 0.00 O ATOM 688 CB SER A 72 -9.700 -0.950 10.390 1.00 0.00 C ATOM 689 OG SER A 72 -10.520 -0.380 11.420 1.00 0.00 O ATOM 0 H SER A 72 -7.924 -1.923 12.872 1.00 0.00 H new ATOM 0 HA SER A 72 -9.421 -2.700 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.073 -0.181 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.324 -1.360 9.596 1.00 0.00 H new ATOM 0 HG SER A 72 -11.080 0.328 11.038 1.00 0.00 H new ATOM 692 N SER A 73 -8.870 -4.130 9.830 1.00 0.00 N ATOM 693 CA SER A 73 -8.520 -5.190 8.860 1.00 0.00 C ATOM 694 C SER A 73 -9.210 -5.060 7.510 1.00 0.00 C ATOM 695 O SER A 73 -9.930 -5.930 7.020 1.00 0.00 O ATOM 696 CB SER A 73 -8.760 -6.560 9.500 1.00 0.00 C ATOM 697 OG SER A 73 -10.080 -6.590 10.050 1.00 0.00 O ATOM 0 H SER A 73 -9.605 -4.410 10.480 1.00 0.00 H new ATOM 0 HA SER A 73 -7.462 -5.074 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.643 -7.349 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.022 -6.746 10.281 1.00 0.00 H new ATOM 0 HG SER A 73 -10.243 -7.465 10.461 1.00 0.00 H new ATOM 700 N ARG A 74 -9.040 -3.860 6.950 1.00 0.00 N ATOM 701 CA ARG A 74 -9.320 -3.510 5.550 1.00 0.00 C ATOM 702 C ARG A 74 -8.100 -3.800 4.680 1.00 0.00 C ATOM 703 O ARG A 74 -8.190 -3.780 3.450 1.00 0.00 O ATOM 704 CB ARG A 74 -9.690 -2.030 5.510 1.00 0.00 C ATOM 705 CG ARG A 74 -10.260 -1.510 4.190 1.00 0.00 C ATOM 706 CD ARG A 74 -11.640 -2.060 3.840 1.00 0.00 C ATOM 707 NE ARG A 74 -11.550 -3.190 2.900 1.00 0.00 N ATOM 708 CZ ARG A 74 -12.090 -3.230 1.680 1.00 0.00 C ATOM 709 NH1 ARG A 74 -12.760 -2.190 1.160 1.00 0.00 N ATOM 710 NH2 ARG A 74 -12.350 -4.400 1.080 1.00 0.00 N ATOM 0 H ARG A 74 -8.687 -3.066 7.484 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.143 -4.107 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.419 -1.838 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.800 -1.448 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.316 -0.422 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.568 -1.760 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.146 -2.382 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.247 -1.268 3.401 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.031 -4.012 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.870 -1.332 1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.159 -2.257 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.135 -5.276 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.763 -4.414 0.147 1.00 0.00 H new ATOM 717 N ILE A 75 -6.970 -4.080 5.310 1.00 0.00 N ATOM 718 CA ILE A 75 -5.700 -4.410 4.650 1.00 0.00 C ATOM 719 C ILE A 75 -5.470 -5.910 4.830 1.00 0.00 C ATOM 720 O ILE A 75 -5.320 -6.380 5.960 1.00 0.00 O ATOM 721 CB ILE A 75 -4.560 -3.570 5.230 1.00 0.00 C ATOM 722 CG1 ILE A 75 -4.750 -2.060 5.060 1.00 0.00 C ATOM 723 CG2 ILE A 75 -3.200 -3.930 4.640 1.00 0.00 C ATOM 724 CD1 ILE A 75 -5.640 -1.400 6.120 1.00 0.00 C ATOM 0 H ILE A 75 -6.901 -4.086 6.328 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.735 -4.176 3.586 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.587 -3.814 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.771 -1.581 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.179 -1.871 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.431 -3.302 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.979 -4.977 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.217 -3.768 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.716 -0.332 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.634 -1.847 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.204 -1.552 7.107 1.00 0.00 H new ATOM 726 N ASP A 76 -5.880 -6.620 3.780 1.00 0.00 N ATOM 727 CA ASP A 76 -5.730 -8.080 3.660 1.00 0.00 C ATOM 728 C ASP A 76 -5.210 -8.490 2.270 1.00 0.00 C ATOM 729 O ASP A 76 -4.300 -9.310 2.160 1.00 0.00 O ATOM 730 CB ASP A 76 -7.040 -8.810 3.960 1.00 0.00 C ATOM 731 CG ASP A 76 -7.550 -8.560 5.380 1.00 0.00 C ATOM 732 OD1 ASP A 76 -8.200 -7.510 5.570 1.00 0.00 O ATOM 733 OD2 ASP A 76 -7.450 -9.500 6.190 1.00 0.00 O ATOM 0 H ASP A 76 -6.334 -6.195 2.972 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.991 -8.375 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.799 -8.492 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.895 -9.880 3.815 1.00 0.00 H new ATOM 735 N ARG A 77 -5.840 -7.950 1.240 1.00 0.00 N ATOM 736 CA ARG A 77 -5.510 -8.180 -0.180 1.00 0.00 C ATOM 737 C ARG A 77 -5.230 -6.830 -0.830 1.00 0.00 C ATOM 738 O ARG A 77 -6.110 -6.150 -1.370 1.00 0.00 O ATOM 739 CB ARG A 77 -6.680 -8.900 -0.850 1.00 0.00 C ATOM 740 CG ARG A 77 -6.350 -9.300 -2.290 1.00 0.00 C ATOM 741 CD ARG A 77 -7.630 -9.610 -3.070 1.00 0.00 C ATOM 742 NE ARG A 77 -7.280 -9.870 -4.470 1.00 0.00 N ATOM 743 CZ ARG A 77 -7.350 -8.990 -5.480 1.00 0.00 C ATOM 744 NH1 ARG A 77 -7.820 -7.750 -5.310 1.00 0.00 N ATOM 745 NH2 ARG A 77 -6.980 -9.360 -6.710 1.00 0.00 N ATOM 0 H ARG A 77 -6.627 -7.313 1.361 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.625 -8.807 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.937 -9.790 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.557 -8.253 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.805 -8.494 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.697 -10.173 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.133 -10.476 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.324 -8.772 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.952 -10.809 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.139 -7.447 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.859 -7.107 -6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.646 -10.309 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.032 -8.693 -7.480 1.00 0.00 H new ATOM 752 N THR A 78 -3.970 -6.430 -0.750 1.00 0.00 N ATOM 753 CA THR A 78 -3.550 -5.120 -1.280 1.00 0.00 C ATOM 754 C THR A 78 -2.790 -5.250 -2.600 1.00 0.00 C ATOM 755 O THR A 78 -1.700 -5.820 -2.710 1.00 0.00 O ATOM 756 CB THR A 78 -2.800 -4.330 -0.210 1.00 0.00 C ATOM 757 OG1 THR A 78 -3.670 -4.230 0.920 1.00 0.00 O ATOM 758 CG2 THR A 78 -2.380 -2.930 -0.650 1.00 0.00 C ATOM 0 H THR A 78 -3.220 -6.979 -0.330 1.00 0.00 H new ATOM 0 HA THR A 78 -4.440 -4.543 -1.529 1.00 0.00 H new ATOM 0 HB THR A 78 -1.873 -4.858 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.523 -4.995 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.853 -2.435 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.722 -3.003 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.265 -2.351 -0.915 1.00 0.00 H new ATOM 761 N ASN A 79 -3.360 -4.510 -3.550 1.00 0.00 N ATOM 762 CA ASN A 79 -3.010 -4.530 -4.980 1.00 0.00 C ATOM 763 C ASN A 79 -1.880 -3.560 -5.320 1.00 0.00 C ATOM 764 O ASN A 79 -2.100 -2.380 -5.580 1.00 0.00 O ATOM 765 CB ASN A 79 -4.290 -4.220 -5.770 1.00 0.00 C ATOM 766 CG ASN A 79 -5.290 -5.370 -5.760 1.00 0.00 C ATOM 767 OD1 ASN A 79 -5.830 -5.750 -6.800 1.00 0.00 O ATOM 768 ND2 ASN A 79 -5.650 -5.920 -4.610 1.00 0.00 N ATOM 0 H ASN A 79 -4.110 -3.851 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.627 -5.514 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.762 -3.331 -5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.026 -3.985 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.365 -6.647 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.212 -5.616 -3.740 1.00 0.00 H new ATOM 772 N PHE A 80 -0.670 -4.090 -5.160 1.00 0.00 N ATOM 773 CA PHE A 80 0.580 -3.400 -5.520 1.00 0.00 C ATOM 774 C PHE A 80 0.770 -3.380 -7.040 1.00 0.00 C ATOM 775 O PHE A 80 1.270 -4.320 -7.650 1.00 0.00 O ATOM 776 CB PHE A 80 1.800 -4.050 -4.850 1.00 0.00 C ATOM 777 CG PHE A 80 1.720 -4.110 -3.320 1.00 0.00 C ATOM 778 CD1 PHE A 80 1.880 -2.950 -2.560 1.00 0.00 C ATOM 779 CD2 PHE A 80 1.420 -5.330 -2.720 1.00 0.00 C ATOM 780 CE1 PHE A 80 1.730 -3.010 -1.180 1.00 0.00 C ATOM 781 CE2 PHE A 80 1.260 -5.390 -1.340 1.00 0.00 C ATOM 782 CZ PHE A 80 1.410 -4.230 -0.590 1.00 0.00 C ATOM 0 H PHE A 80 -0.521 -5.022 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 80 0.499 -2.375 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.916 -5.063 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.695 -3.496 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.119 -2.013 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.313 -6.221 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.859 -2.125 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.022 -6.326 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.275 -4.276 0.480 1.00 0.00 H new ATOM 784 N SER A 81 0.210 -2.330 -7.630 1.00 0.00 N ATOM 785 CA SER A 81 0.240 -2.060 -9.080 1.00 0.00 C ATOM 786 C SER A 81 0.910 -0.720 -9.350 1.00 0.00 C ATOM 787 O SER A 81 1.620 -0.200 -8.480 1.00 0.00 O ATOM 788 CB SER A 81 -1.200 -2.120 -9.600 1.00 0.00 C ATOM 789 OG SER A 81 -1.220 -2.000 -11.030 1.00 0.00 O ATOM 0 H SER A 81 -0.295 -1.616 -7.105 1.00 0.00 H new ATOM 0 HA SER A 81 0.831 -2.808 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.663 -3.061 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.789 -1.319 -9.153 1.00 0.00 H new ATOM 0 HG SER A 81 -0.448 -2.470 -11.409 1.00 0.00 H new ATOM 792 N ASN A 82 0.770 -0.180 -10.560 1.00 0.00 N ATOM 793 CA ASN A 82 1.350 1.080 -11.040 1.00 0.00 C ATOM 794 C ASN A 82 2.840 1.160 -10.690 1.00 0.00 C ATOM 795 O ASN A 82 3.250 1.830 -9.750 1.00 0.00 O ATOM 796 CB ASN A 82 0.530 2.250 -10.500 1.00 0.00 C ATOM 797 CG ASN A 82 0.950 3.610 -11.070 1.00 0.00 C ATOM 798 OD1 ASN A 82 0.470 4.080 -12.100 1.00 0.00 O ATOM 799 ND2 ASN A 82 1.920 4.250 -10.430 1.00 0.00 N ATOM 0 H ASN A 82 0.212 -0.639 -11.280 1.00 0.00 H new ATOM 0 HA ASN A 82 1.302 1.128 -12.128 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.523 2.080 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.622 2.277 -9.414 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.271 5.137 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.314 3.855 -9.576 1.00 0.00 H new ATOM 803 N GLU A 83 3.600 0.370 -11.450 1.00 0.00 N ATOM 804 CA GLU A 83 5.030 0.140 -11.200 1.00 0.00 C ATOM 805 C GLU A 83 5.890 0.980 -12.150 1.00 0.00 C ATOM 806 O GLU A 83 5.960 0.750 -13.360 1.00 0.00 O ATOM 807 CB GLU A 83 5.360 -1.350 -11.350 1.00 0.00 C ATOM 808 CG GLU A 83 4.500 -2.270 -10.470 1.00 0.00 C ATOM 809 CD GLU A 83 4.490 -3.690 -11.030 1.00 0.00 C ATOM 810 OE1 GLU A 83 3.610 -3.940 -11.890 1.00 0.00 O ATOM 811 OE2 GLU A 83 5.370 -4.480 -10.630 1.00 0.00 O ATOM 0 H GLU A 83 3.242 -0.133 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 83 5.256 0.447 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.231 -1.637 -12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.410 -1.506 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.889 -2.277 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.481 -1.886 -10.419 1.00 0.00 H new ATOM 813 N LYS A 84 6.400 2.050 -11.550 1.00 0.00 N ATOM 814 CA LYS A 84 7.230 3.090 -12.180 1.00 0.00 C ATOM 815 C LYS A 84 8.630 3.170 -11.580 1.00 0.00 C ATOM 816 O LYS A 84 8.810 3.420 -10.380 1.00 0.00 O ATOM 817 CB LYS A 84 6.520 4.450 -12.130 1.00 0.00 C ATOM 818 CG LYS A 84 6.130 4.920 -10.730 1.00 0.00 C ATOM 819 CD LYS A 84 5.650 6.370 -10.680 1.00 0.00 C ATOM 820 CE LYS A 84 4.150 6.560 -10.890 1.00 0.00 C ATOM 821 NZ LYS A 84 3.730 6.210 -12.250 1.00 0.00 N ATOM 0 H LYS A 84 6.242 2.232 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 84 7.363 2.806 -13.224 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.170 5.200 -12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.621 4.397 -12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.342 4.272 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.987 4.807 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.923 6.794 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.183 6.940 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.604 5.945 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.885 7.598 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.806 6.644 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.433 6.561 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.653 5.176 -12.334 1.00 0.00 H new ATOM 826 N THR A 85 9.630 2.820 -12.370 1.00 0.00 N ATOM 827 CA THR A 85 11.040 2.950 -11.980 1.00 0.00 C ATOM 828 C THR A 85 11.500 4.400 -11.790 1.00 0.00 C ATOM 829 O THR A 85 11.840 5.120 -12.730 1.00 0.00 O ATOM 830 CB THR A 85 12.000 2.200 -12.900 1.00 0.00 C ATOM 831 OG1 THR A 85 11.660 2.440 -14.270 1.00 0.00 O ATOM 832 CG2 THR A 85 12.020 0.720 -12.540 1.00 0.00 C ATOM 0 H THR A 85 9.496 2.435 -13.305 1.00 0.00 H new ATOM 0 HA THR A 85 11.081 2.469 -11.003 1.00 0.00 H new ATOM 0 HB THR A 85 13.015 2.572 -12.760 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.283 1.956 -14.851 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.708 0.194 -13.202 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.348 0.601 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.019 0.305 -12.653 1.00 0.00 H new ATOM 835 N ILE A 86 11.570 4.740 -10.510 1.00 0.00 N ATOM 836 CA ILE A 86 11.870 6.090 -10.010 1.00 0.00 C ATOM 837 C ILE A 86 13.370 6.380 -9.910 1.00 0.00 C ATOM 838 O ILE A 86 13.980 6.370 -8.850 1.00 0.00 O ATOM 839 CB ILE A 86 11.140 6.400 -8.700 1.00 0.00 C ATOM 840 CG1 ILE A 86 11.290 5.290 -7.660 1.00 0.00 C ATOM 841 CG2 ILE A 86 9.680 6.750 -9.010 1.00 0.00 C ATOM 842 CD1 ILE A 86 10.970 5.750 -6.240 1.00 0.00 C ATOM 0 H ILE A 86 11.415 4.066 -9.760 1.00 0.00 H new ATOM 0 HA ILE A 86 11.481 6.774 -10.765 1.00 0.00 H new ATOM 0 HB ILE A 86 11.607 7.267 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.632 4.462 -7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 86 12.310 4.908 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.154 6.972 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.646 7.622 -9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.201 5.906 -9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.096 4.915 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.645 6.558 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.940 6.105 -6.196 1.00 0.00 H new ATOM 844 N SER A 87 13.920 6.650 -11.090 1.00 0.00 N ATOM 845 CA SER A 87 15.320 7.070 -11.290 1.00 0.00 C ATOM 846 C SER A 87 15.730 8.230 -10.380 1.00 0.00 C ATOM 847 O SER A 87 16.890 8.330 -9.970 1.00 0.00 O ATOM 848 CB SER A 87 15.540 7.470 -12.750 1.00 0.00 C ATOM 849 OG SER A 87 15.010 6.440 -13.590 1.00 0.00 O ATOM 0 H SER A 87 13.397 6.583 -11.963 1.00 0.00 H new ATOM 0 HA SER A 87 15.945 6.216 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.049 8.420 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.603 7.610 -12.948 1.00 0.00 H new ATOM 0 HG SER A 87 15.143 6.684 -14.530 1.00 0.00 H new ATOM 852 N LYS A 88 14.780 9.120 -10.130 1.00 0.00 N ATOM 853 CA LYS A 88 14.890 10.130 -9.070 1.00 0.00 C ATOM 854 C LYS A 88 13.840 9.830 -8.010 1.00 0.00 C ATOM 855 O LYS A 88 12.640 9.840 -8.280 1.00 0.00 O ATOM 856 CB LYS A 88 14.700 11.530 -9.670 1.00 0.00 C ATOM 857 CG LYS A 88 15.170 12.610 -8.690 1.00 0.00 C ATOM 858 CD LYS A 88 14.910 14.010 -9.260 1.00 0.00 C ATOM 859 CE LYS A 88 15.480 15.110 -8.350 1.00 0.00 C ATOM 860 NZ LYS A 88 14.800 15.140 -7.050 1.00 0.00 N ATOM 0 H LYS A 88 13.906 9.168 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 88 15.877 10.100 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.259 11.610 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.649 11.686 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.649 12.497 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.234 12.486 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.358 14.089 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.837 14.159 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.547 14.943 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.375 16.079 -8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.138 15.956 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.774 15.222 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.006 14.263 -6.530 1.00 0.00 H new ATOM 865 N LEU A 89 14.340 9.350 -6.870 1.00 0.00 N ATOM 866 CA LEU A 89 13.550 9.170 -5.640 1.00 0.00 C ATOM 867 C LEU A 89 13.140 10.540 -5.090 1.00 0.00 C ATOM 868 O LEU A 89 13.720 11.120 -4.180 1.00 0.00 O ATOM 869 CB LEU A 89 14.400 8.310 -4.690 1.00 0.00 C ATOM 870 CG LEU A 89 13.800 8.040 -3.310 1.00 0.00 C ATOM 871 CD1 LEU A 89 12.490 7.250 -3.380 1.00 0.00 C ATOM 872 CD2 LEU A 89 14.810 7.260 -2.460 1.00 0.00 C ATOM 0 H LEU A 89 15.316 9.071 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 89 12.608 8.646 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.593 7.352 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.365 8.799 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 89 13.577 9.008 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.109 7.087 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.757 7.812 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.670 6.288 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.384 7.066 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.042 6.313 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.723 7.845 -2.352 1.00 0.00 H new ATOM 874 N GLU A 90 12.130 11.080 -5.770 1.00 0.00 N ATOM 875 CA GLU A 90 11.650 12.460 -5.590 1.00 0.00 C ATOM 876 C GLU A 90 10.450 12.600 -4.650 1.00 0.00 C ATOM 877 O GLU A 90 9.350 12.990 -5.020 1.00 0.00 O ATOM 878 CB GLU A 90 11.470 13.140 -6.950 1.00 0.00 C ATOM 879 CG GLU A 90 10.560 12.400 -7.920 1.00 0.00 C ATOM 880 CD GLU A 90 10.610 13.040 -9.310 1.00 0.00 C ATOM 881 OE1 GLU A 90 11.490 12.610 -10.090 1.00 0.00 O ATOM 882 OE2 GLU A 90 9.770 13.930 -9.570 1.00 0.00 O ATOM 0 H GLU A 90 11.608 10.564 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 90 12.428 13.003 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.069 14.141 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.450 13.260 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.863 11.355 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.536 12.412 -7.546 1.00 0.00 H new ATOM 884 N TYR A 91 10.730 12.140 -3.430 1.00 0.00 N ATOM 885 CA TYR A 91 9.900 12.190 -2.220 1.00 0.00 C ATOM 886 C TYR A 91 10.650 11.520 -1.070 1.00 0.00 C ATOM 887 O TYR A 91 11.320 10.500 -1.250 1.00 0.00 O ATOM 888 CB TYR A 91 8.500 11.590 -2.350 1.00 0.00 C ATOM 889 CG TYR A 91 8.330 10.310 -3.170 1.00 0.00 C ATOM 890 CD1 TYR A 91 9.290 9.300 -3.140 1.00 0.00 C ATOM 891 CD2 TYR A 91 7.170 10.190 -3.920 1.00 0.00 C ATOM 892 CE1 TYR A 91 9.080 8.140 -3.870 1.00 0.00 C ATOM 893 CE2 TYR A 91 6.950 9.020 -4.650 1.00 0.00 C ATOM 894 CZ TYR A 91 7.910 8.020 -4.610 1.00 0.00 C ATOM 895 OH TYR A 91 7.670 6.830 -5.240 1.00 0.00 O ATOM 0 H TYR A 91 11.622 11.682 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 91 9.728 13.249 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.129 11.392 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.852 12.351 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.189 9.420 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.446 10.991 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.811 7.345 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.050 8.896 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 91 6.761 6.831 -5.605 1.00 0.00 H new ATOM 898 N SER A 92 10.680 12.230 0.060 1.00 0.00 N ATOM 899 CA SER A 92 11.290 11.760 1.310 1.00 0.00 C ATOM 900 C SER A 92 10.330 12.010 2.470 1.00 0.00 C ATOM 901 O SER A 92 10.530 12.860 3.340 1.00 0.00 O ATOM 902 CB SER A 92 12.660 12.420 1.500 1.00 0.00 C ATOM 903 OG SER A 92 12.530 13.840 1.400 1.00 0.00 O ATOM 0 H SER A 92 10.275 13.163 0.135 1.00 0.00 H new ATOM 0 HA SER A 92 11.467 10.685 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.072 12.151 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.358 12.055 0.746 1.00 0.00 H new ATOM 0 HG SER A 92 11.892 14.158 2.072 1.00 0.00 H new ATOM 906 N ASN A 93 9.220 11.280 2.350 1.00 0.00 N ATOM 907 CA ASN A 93 7.990 11.420 3.140 1.00 0.00 C ATOM 908 C ASN A 93 7.020 10.300 2.760 1.00 0.00 C ATOM 909 O ASN A 93 6.920 9.970 1.580 1.00 0.00 O ATOM 910 CB ASN A 93 7.310 12.760 2.880 1.00 0.00 C ATOM 911 CG ASN A 93 7.280 13.200 1.420 1.00 0.00 C ATOM 912 OD1 ASN A 93 8.200 13.840 0.910 1.00 0.00 O ATOM 913 ND2 ASN A 93 6.320 12.750 0.620 1.00 0.00 N ATOM 0 H ASN A 93 9.149 10.532 1.660 1.00 0.00 H new ATOM 0 HA ASN A 93 8.257 11.364 4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.285 12.707 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.819 13.527 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.361 12.938 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.542 12.216 1.007 1.00 0.00 H new ATOM 917 N PHE A 94 6.400 9.650 3.740 1.00 0.00 N ATOM 918 CA PHE A 94 5.270 8.740 3.490 1.00 0.00 C ATOM 919 C PHE A 94 4.040 9.420 4.080 1.00 0.00 C ATOM 920 O PHE A 94 3.780 9.410 5.280 1.00 0.00 O ATOM 921 CB PHE A 94 5.510 7.340 4.050 1.00 0.00 C ATOM 922 CG PHE A 94 4.540 6.330 3.430 1.00 0.00 C ATOM 923 CD1 PHE A 94 4.860 5.730 2.210 1.00 0.00 C ATOM 924 CD2 PHE A 94 3.360 6.010 4.090 1.00 0.00 C ATOM 925 CE1 PHE A 94 3.980 4.820 1.650 1.00 0.00 C ATOM 926 CE2 PHE A 94 2.480 5.090 3.530 1.00 0.00 C ATOM 927 CZ PHE A 94 2.790 4.520 2.300 1.00 0.00 C ATOM 0 H PHE A 94 6.658 9.733 4.723 1.00 0.00 H new ATOM 0 HA PHE A 94 5.134 8.570 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.537 7.035 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.387 7.351 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.785 5.974 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.126 6.475 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.218 4.345 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.568 4.822 4.043 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.094 3.833 1.843 1.00 0.00 H new ATOM 929 N SER A 95 3.370 10.130 3.170 1.00 0.00 N ATOM 930 CA SER A 95 2.550 11.290 3.520 1.00 0.00 C ATOM 931 C SER A 95 1.040 11.090 3.670 1.00 0.00 C ATOM 932 O SER A 95 0.460 10.150 3.130 1.00 0.00 O ATOM 933 CB SER A 95 2.890 12.390 2.520 1.00 0.00 C ATOM 934 OG SER A 95 2.460 13.650 3.050 1.00 0.00 O ATOM 0 H SER A 95 3.381 9.917 2.172 1.00 0.00 H new ATOM 0 HA SER A 95 2.811 11.550 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.963 12.408 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.400 12.196 1.566 1.00 0.00 H new ATOM 0 HG SER A 95 1.860 14.086 2.410 1.00 0.00 H new ATOM 937 N VAL A 96 0.450 12.110 4.280 1.00 0.00 N ATOM 938 CA VAL A 96 -0.930 12.190 4.770 1.00 0.00 C ATOM 939 C VAL A 96 -2.010 11.850 3.740 1.00 0.00 C ATOM 940 O VAL A 96 -1.940 12.260 2.590 1.00 0.00 O ATOM 941 CB VAL A 96 -1.130 13.550 5.460 1.00 0.00 C ATOM 942 CG1 VAL A 96 -1.110 14.740 4.500 1.00 0.00 C ATOM 943 CG2 VAL A 96 -2.400 13.580 6.310 1.00 0.00 C ATOM 0 H VAL A 96 0.961 12.974 4.462 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.068 11.394 5.502 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.265 13.659 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.257 15.663 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.149 14.777 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.909 14.630 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.501 14.559 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.266 13.390 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.339 12.813 7.082 1.00 0.00 H new ATOM 945 N ARG A 97 -3.030 11.150 4.240 1.00 0.00 N ATOM 946 CA ARG A 97 -4.200 10.720 3.460 1.00 0.00 C ATOM 947 C ARG A 97 -4.970 11.890 2.850 1.00 0.00 C ATOM 948 O ARG A 97 -5.620 12.670 3.530 1.00 0.00 O ATOM 949 CB ARG A 97 -5.100 9.890 4.380 1.00 0.00 C ATOM 950 CG ARG A 97 -6.140 9.050 3.630 1.00 0.00 C ATOM 951 CD ARG A 97 -7.150 8.450 4.620 1.00 0.00 C ATOM 952 NE ARG A 97 -7.950 9.520 5.220 1.00 0.00 N ATOM 953 CZ ARG A 97 -8.100 9.780 6.530 1.00 0.00 C ATOM 954 NH1 ARG A 97 -7.500 9.050 7.480 1.00 0.00 N ATOM 955 NH2 ARG A 97 -8.840 10.820 6.910 1.00 0.00 N ATOM 0 H ARG A 97 -3.070 10.859 5.217 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.858 10.123 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.477 9.228 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.615 10.559 5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.660 9.669 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.644 8.252 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.800 7.741 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.625 7.895 5.398 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.447 10.134 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.904 8.264 7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.639 9.280 8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.287 11.411 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.960 11.025 7.902 1.00 0.00 H new ATOM 962 N TYR A 98 -4.760 12.030 1.540 1.00 0.00 N ATOM 963 CA TYR A 98 -5.380 13.090 0.720 1.00 0.00 C ATOM 964 C TYR A 98 -6.820 12.780 0.340 1.00 0.00 C ATOM 965 O TYR A 98 -7.680 13.650 0.570 1.00 0.00 O ATOM 966 CB TYR A 98 -4.540 13.340 -0.540 1.00 0.00 C ATOM 967 CG TYR A 98 -3.070 13.660 -0.250 1.00 0.00 C ATOM 968 CD1 TYR A 98 -2.750 14.860 0.360 1.00 0.00 C ATOM 969 CD2 TYR A 98 -2.110 12.690 -0.540 1.00 0.00 C ATOM 970 CE1 TYR A 98 -1.430 15.090 0.740 1.00 0.00 C ATOM 971 CE2 TYR A 98 -0.790 12.920 -0.160 1.00 0.00 C ATOM 972 CZ TYR A 98 -0.470 14.110 0.480 1.00 0.00 C ATOM 973 OH TYR A 98 0.820 14.370 0.820 1.00 0.00 O ATOM 974 OXT TYR A 98 -7.040 11.690 -0.230 1.00 0.00 O ATOM 0 H TYR A 98 -4.151 11.409 1.007 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.404 13.991 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.591 12.459 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.978 14.166 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.511 15.606 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.385 11.778 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.153 16.013 1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.026 12.183 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 98 0.879 15.263 1.220 1.00 0.00 H new TER 977 TYR A 98