USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=32 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 -88:sc= 1.36 USER MOD Set 1.2: A 98 TYR OH : rot 25:sc= 1.2 USER MOD Set 2.1: A 87 SER OG : rot -20:sc= 0.386 USER MOD Set 2.2: A 88 LYS NZ :NH3+ -174:sc= 0.202 (180deg=0) USER MOD Set 3.1: A 50 GLN : amide:sc= 0.248 K(o=0.92,f=0.0067) USER MOD Set 3.2: A 91 TYR OH : rot -162:sc= 0.671 USER MOD Set 4.1: A 42 THR OG1 : rot -168:sc= 1.23 USER MOD Set 4.2: A 46 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 SER N :NH3+ 145:sc= -2.05 (180deg=-4.43!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00863 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 19:sc= 0.013 USER MOD Single : A 11 TYR OH : rot 13:sc= -0.405 USER MOD Single : A 18 GLN : amide:sc= 0.233 K(o=0.23,f=-1.2!) USER MOD Single : A 21 CYS SG : rot 57:sc= 0.384 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -179:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.0111 (180deg=-0.38) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 50:sc= 0.804 USER MOD Single : A 52 GLN : amide:sc= -5.87! C(o=-5.9!,f=-8.1!) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.00511 (180deg=-0.191) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 60 SER OG : rot 150:sc= -0.883 USER MOD Single : A 61 MET CE :methyl -158:sc= -0.231 (180deg=-0.991) USER MOD Single : A 62 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.795) USER MOD Single : A 63 SER OG : rot 71:sc= 0.288 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0619) USER MOD Single : A 70 SER OG : rot 95:sc= 1.84 USER MOD Single : A 72 SER OG : rot 47:sc= 0.573 USER MOD Single : A 73 SER OG : rot -149:sc= 1.66 USER MOD Single : A 78 THR OG1 : rot 140:sc= -1.08 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -118:sc= 0.017 (180deg=-0.268) USER MOD Single : A 85 THR OG1 : rot 150:sc= -0.564 USER MOD Single : A 92 SER OG : rot 51:sc= 0.0663 USER MOD Single : A 93 ASN : amide:sc= -0.0708 X(o=-0.071,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.880 8.790 -14.110 1.00 0.00 N ATOM 2 CA SER A 1 13.440 7.730 -15.030 1.00 0.00 C ATOM 3 C SER A 1 13.780 6.310 -14.570 1.00 0.00 C ATOM 4 O SER A 1 14.590 6.110 -13.660 1.00 0.00 O ATOM 5 CB SER A 1 13.980 7.980 -16.440 1.00 0.00 C ATOM 6 OG SER A 1 15.310 7.490 -16.610 1.00 0.00 O ATOM 0 H1 SER A 1 14.171 9.626 -14.657 1.00 0.00 H new ATOM 0 H2 SER A 1 13.097 9.047 -13.476 1.00 0.00 H new ATOM 0 H3 SER A 1 14.684 8.448 -13.546 1.00 0.00 H new ATOM 0 HA SER A 1 12.351 7.784 -15.036 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.324 7.501 -17.167 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.961 9.050 -16.649 1.00 0.00 H new ATOM 0 HG SER A 1 15.611 7.671 -17.525 1.00 0.00 H new ATOM 11 N THR A 2 13.330 5.360 -15.380 1.00 0.00 N ATOM 12 CA THR A 2 13.450 3.910 -15.180 1.00 0.00 C ATOM 13 C THR A 2 14.850 3.370 -14.850 1.00 0.00 C ATOM 14 O THR A 2 14.960 2.370 -14.140 1.00 0.00 O ATOM 15 CB THR A 2 12.970 3.180 -16.440 1.00 0.00 C ATOM 16 OG1 THR A 2 13.550 3.820 -17.590 1.00 0.00 O ATOM 17 CG2 THR A 2 11.450 3.130 -16.540 1.00 0.00 C ATOM 0 H THR A 2 12.842 5.588 -16.246 1.00 0.00 H new ATOM 0 HA THR A 2 12.837 3.721 -14.299 1.00 0.00 H new ATOM 0 HB THR A 2 13.298 2.142 -16.389 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.253 3.362 -18.404 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.162 2.603 -17.450 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.045 2.607 -15.674 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.054 4.145 -16.568 1.00 0.00 H new ATOM 20 N ALA A 3 15.880 4.010 -15.400 1.00 0.00 N ATOM 21 CA ALA A 3 17.290 3.710 -15.120 1.00 0.00 C ATOM 22 C ALA A 3 17.660 3.680 -13.630 1.00 0.00 C ATOM 23 O ALA A 3 18.650 3.070 -13.240 1.00 0.00 O ATOM 24 CB ALA A 3 18.170 4.710 -15.860 1.00 0.00 C ATOM 0 H ALA A 3 15.759 4.770 -16.069 1.00 0.00 H new ATOM 0 HA ALA A 3 17.461 2.694 -15.475 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.218 4.493 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.985 4.634 -16.932 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.937 5.720 -15.522 1.00 0.00 H new ATOM 26 N ARG A 4 16.860 4.370 -12.820 1.00 0.00 N ATOM 27 CA ARG A 4 16.990 4.410 -11.350 1.00 0.00 C ATOM 28 C ARG A 4 16.050 3.400 -10.680 1.00 0.00 C ATOM 29 O ARG A 4 14.840 3.500 -10.880 1.00 0.00 O ATOM 30 CB ARG A 4 16.700 5.830 -10.870 1.00 0.00 C ATOM 31 CG ARG A 4 17.930 6.740 -10.880 1.00 0.00 C ATOM 32 CD ARG A 4 18.400 7.190 -12.260 1.00 0.00 C ATOM 33 NE ARG A 4 17.600 8.320 -12.760 1.00 0.00 N ATOM 34 CZ ARG A 4 17.390 8.630 -14.050 1.00 0.00 C ATOM 35 NH1 ARG A 4 18.010 8.020 -15.060 1.00 0.00 N ATOM 36 NH2 ARG A 4 16.650 9.720 -14.340 1.00 0.00 N ATOM 0 H ARG A 4 16.083 4.932 -13.167 1.00 0.00 H new ATOM 0 HA ARG A 4 18.006 4.131 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 4 15.928 6.268 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.297 5.788 -9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 4 17.711 7.625 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 4 18.751 6.219 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 4 19.450 7.479 -12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 4 18.331 6.356 -12.959 1.00 0.00 H new ATOM 0 HE ARG A 4 17.165 8.923 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 4 18.683 7.277 -14.871 1.00 0.00 H new ATOM 0 HH12 ARG A 4 17.812 8.296 -16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 4 16.263 10.289 -13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.477 9.975 -15.312 1.00 0.00 H new ATOM 43 N PRO A 5 16.580 2.440 -9.940 1.00 0.00 N ATOM 44 CA PRO A 5 15.780 1.460 -9.190 1.00 0.00 C ATOM 45 C PRO A 5 15.070 2.040 -7.960 1.00 0.00 C ATOM 46 O PRO A 5 15.260 1.620 -6.810 1.00 0.00 O ATOM 47 CB PRO A 5 16.740 0.330 -8.820 1.00 0.00 C ATOM 48 CG PRO A 5 17.850 0.450 -9.870 1.00 0.00 C ATOM 49 CD PRO A 5 17.970 1.970 -10.050 1.00 0.00 C ATOM 0 HA PRO A 5 14.956 1.106 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.129 0.448 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.251 -0.643 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 5 18.784 0.007 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.584 -0.050 -10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.606 2.416 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.405 2.227 -11.016 1.00 0.00 H new ATOM 50 N LEU A 6 14.220 3.020 -8.240 1.00 0.00 N ATOM 51 CA LEU A 6 13.290 3.690 -7.320 1.00 0.00 C ATOM 52 C LEU A 6 11.890 3.570 -7.920 1.00 0.00 C ATOM 53 O LEU A 6 11.570 4.190 -8.930 1.00 0.00 O ATOM 54 CB LEU A 6 13.650 5.170 -7.120 1.00 0.00 C ATOM 55 CG LEU A 6 14.870 5.360 -6.210 1.00 0.00 C ATOM 56 CD1 LEU A 6 16.170 5.360 -7.010 1.00 0.00 C ATOM 57 CD2 LEU A 6 14.740 6.690 -5.470 1.00 0.00 C ATOM 0 H LEU A 6 14.152 3.400 -9.184 1.00 0.00 H new ATOM 0 HA LEU A 6 13.344 3.217 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.849 5.626 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.796 5.694 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 6 14.902 4.529 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.014 5.497 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.275 4.410 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.151 6.174 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.604 6.831 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.691 7.505 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.831 6.684 -4.868 1.00 0.00 H new ATOM 59 N LYS A 7 11.100 2.710 -7.300 1.00 0.00 N ATOM 60 CA LYS A 7 9.830 2.250 -7.900 1.00 0.00 C ATOM 61 C LYS A 7 8.600 2.850 -7.220 1.00 0.00 C ATOM 62 O LYS A 7 8.360 2.650 -6.030 1.00 0.00 O ATOM 63 CB LYS A 7 9.780 0.720 -7.840 1.00 0.00 C ATOM 64 CG LYS A 7 8.950 0.150 -8.990 1.00 0.00 C ATOM 65 CD LYS A 7 8.980 -1.380 -8.950 1.00 0.00 C ATOM 66 CE LYS A 7 8.500 -1.950 -10.290 1.00 0.00 C ATOM 67 NZ LYS A 7 8.340 -3.400 -10.160 1.00 0.00 N ATOM 0 H LYS A 7 11.302 2.309 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 7 9.805 2.593 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.792 0.318 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.353 0.404 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.922 0.504 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.342 0.505 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.992 -1.727 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.344 -1.743 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.554 -1.491 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.218 -1.719 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.014 -3.796 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.252 -3.828 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.640 -3.607 -9.420 1.00 0.00 H new ATOM 72 N SER A 8 7.920 3.700 -7.990 1.00 0.00 N ATOM 73 CA SER A 8 6.580 4.180 -7.640 1.00 0.00 C ATOM 74 C SER A 8 5.490 3.210 -8.100 1.00 0.00 C ATOM 75 O SER A 8 5.330 2.900 -9.280 1.00 0.00 O ATOM 76 CB SER A 8 6.270 5.620 -8.070 1.00 0.00 C ATOM 77 OG SER A 8 6.760 5.890 -9.390 1.00 0.00 O ATOM 0 H SER A 8 8.278 4.074 -8.869 1.00 0.00 H new ATOM 0 HA SER A 8 6.580 4.211 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.193 5.786 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.721 6.317 -7.364 1.00 0.00 H new ATOM 0 HG SER A 8 6.920 5.044 -9.859 1.00 0.00 H new ATOM 80 N VAL A 9 5.010 2.530 -7.060 1.00 0.00 N ATOM 81 CA VAL A 9 3.990 1.480 -7.080 1.00 0.00 C ATOM 82 C VAL A 9 2.720 2.040 -6.430 1.00 0.00 C ATOM 83 O VAL A 9 2.760 2.830 -5.480 1.00 0.00 O ATOM 84 CB VAL A 9 4.500 0.270 -6.300 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.480 -0.870 -6.190 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.790 -0.300 -6.900 1.00 0.00 C ATOM 0 H VAL A 9 5.347 2.710 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 9 3.772 1.167 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 9 4.690 0.659 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.914 -1.693 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.586 -0.510 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.214 -1.218 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.116 -1.159 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.606 -0.612 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.567 0.465 -6.886 1.00 0.00 H new ATOM 88 N ASP A 10 1.590 1.620 -6.990 1.00 0.00 N ATOM 89 CA ASP A 10 0.260 1.890 -6.430 1.00 0.00 C ATOM 90 C ASP A 10 -0.360 0.620 -5.860 1.00 0.00 C ATOM 91 O ASP A 10 -0.140 -0.500 -6.330 1.00 0.00 O ATOM 92 CB ASP A 10 -0.660 2.510 -7.490 1.00 0.00 C ATOM 93 CG ASP A 10 -0.200 3.920 -7.880 1.00 0.00 C ATOM 94 OD1 ASP A 10 -0.660 4.870 -7.210 1.00 0.00 O ATOM 95 OD2 ASP A 10 0.560 4.020 -8.870 1.00 0.00 O ATOM 0 H ASP A 10 1.566 1.077 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 10 0.377 2.605 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.677 1.874 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.680 2.552 -7.108 1.00 0.00 H new ATOM 97 N TYR A 11 -1.050 0.830 -4.740 1.00 0.00 N ATOM 98 CA TYR A 11 -1.770 -0.230 -4.020 1.00 0.00 C ATOM 99 C TYR A 11 -3.260 0.080 -3.920 1.00 0.00 C ATOM 100 O TYR A 11 -3.710 1.180 -4.230 1.00 0.00 O ATOM 101 CB TYR A 11 -1.140 -0.440 -2.640 1.00 0.00 C ATOM 102 CG TYR A 11 -1.330 0.720 -1.660 1.00 0.00 C ATOM 103 CD1 TYR A 11 -0.430 1.790 -1.690 1.00 0.00 C ATOM 104 CD2 TYR A 11 -2.390 0.670 -0.770 1.00 0.00 C ATOM 105 CE1 TYR A 11 -0.610 2.840 -0.810 1.00 0.00 C ATOM 106 CE2 TYR A 11 -2.570 1.730 0.120 1.00 0.00 C ATOM 107 CZ TYR A 11 -1.680 2.800 0.080 1.00 0.00 C ATOM 108 OH TYR A 11 -1.850 3.810 0.970 1.00 0.00 O ATOM 0 H TYR A 11 -1.128 1.747 -4.300 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.681 -1.159 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.562 -1.342 -2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.072 -0.617 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.393 1.796 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.065 -0.173 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.069 3.680 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.386 1.720 0.828 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.277 4.565 0.721 1.00 0.00 H new ATOM 111 N GLU A 12 -4.020 -0.990 -3.680 1.00 0.00 N ATOM 112 CA GLU A 12 -5.440 -0.910 -3.300 1.00 0.00 C ATOM 113 C GLU A 12 -5.830 -2.010 -2.310 1.00 0.00 C ATOM 114 O GLU A 12 -5.670 -3.200 -2.560 1.00 0.00 O ATOM 115 CB GLU A 12 -6.340 -0.940 -4.530 1.00 0.00 C ATOM 116 CG GLU A 12 -7.760 -0.500 -4.180 1.00 0.00 C ATOM 117 CD GLU A 12 -8.630 -0.280 -5.420 1.00 0.00 C ATOM 118 OE1 GLU A 12 -9.230 -1.270 -5.880 1.00 0.00 O ATOM 119 OE2 GLU A 12 -8.710 0.890 -5.850 1.00 0.00 O ATOM 0 H GLU A 12 -3.669 -1.946 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.584 0.046 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.932 -0.285 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.360 -1.947 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.224 -1.254 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.718 0.423 -3.601 1.00 0.00 H new ATOM 121 N VAL A 13 -6.220 -1.520 -1.130 1.00 0.00 N ATOM 122 CA VAL A 13 -6.840 -2.280 -0.040 1.00 0.00 C ATOM 123 C VAL A 13 -8.360 -2.240 -0.270 1.00 0.00 C ATOM 124 O VAL A 13 -8.990 -1.180 -0.230 1.00 0.00 O ATOM 125 CB VAL A 13 -6.520 -1.710 1.340 1.00 0.00 C ATOM 126 CG1 VAL A 13 -7.060 -2.620 2.450 1.00 0.00 C ATOM 127 CG2 VAL A 13 -5.020 -1.510 1.560 1.00 0.00 C ATOM 0 H VAL A 13 -6.106 -0.533 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.446 -3.296 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.008 -0.736 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.818 -2.191 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.142 -2.711 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.604 -3.607 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.850 -1.103 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.508 -2.468 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.632 -0.817 0.814 1.00 0.00 H new ATOM 129 N PHE A 14 -8.920 -3.440 -0.390 1.00 0.00 N ATOM 130 CA PHE A 14 -10.340 -3.680 -0.670 1.00 0.00 C ATOM 131 C PHE A 14 -11.180 -3.670 0.610 1.00 0.00 C ATOM 132 O PHE A 14 -11.680 -4.690 1.090 1.00 0.00 O ATOM 133 CB PHE A 14 -10.450 -5.000 -1.450 1.00 0.00 C ATOM 134 CG PHE A 14 -9.870 -4.890 -2.860 1.00 0.00 C ATOM 135 CD1 PHE A 14 -10.680 -4.440 -3.890 1.00 0.00 C ATOM 136 CD2 PHE A 14 -8.540 -5.220 -3.080 1.00 0.00 C ATOM 137 CE1 PHE A 14 -10.150 -4.300 -5.170 1.00 0.00 C ATOM 138 CE2 PHE A 14 -8.000 -5.070 -4.360 1.00 0.00 C ATOM 139 CZ PHE A 14 -8.810 -4.620 -5.390 1.00 0.00 C ATOM 0 H PHE A 14 -8.384 -4.303 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.748 -2.873 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.928 -5.786 -0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.497 -5.297 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.716 -4.199 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.928 -5.589 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.769 -3.948 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.962 -5.303 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.396 -4.515 -6.382 1.00 0.00 H new ATOM 141 N GLY A 15 -11.320 -2.460 1.140 1.00 0.00 N ATOM 142 CA GLY A 15 -12.170 -2.150 2.300 1.00 0.00 C ATOM 143 C GLY A 15 -13.610 -1.870 1.850 1.00 0.00 C ATOM 144 O GLY A 15 -14.080 -0.740 1.950 1.00 0.00 O ATOM 0 H GLY A 15 -10.836 -1.642 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.157 -2.984 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.773 -1.283 2.829 1.00 0.00 H new ATOM 146 N ARG A 16 -14.280 -2.960 1.470 1.00 0.00 N ATOM 147 CA ARG A 16 -15.630 -2.980 0.890 1.00 0.00 C ATOM 148 C ARG A 16 -16.580 -1.890 1.400 1.00 0.00 C ATOM 149 O ARG A 16 -17.090 -1.100 0.600 1.00 0.00 O ATOM 150 CB ARG A 16 -16.290 -4.360 1.030 1.00 0.00 C ATOM 151 CG ARG A 16 -15.810 -5.410 0.030 1.00 0.00 C ATOM 152 CD ARG A 16 -14.500 -6.090 0.420 1.00 0.00 C ATOM 153 NE ARG A 16 -14.220 -7.210 -0.510 1.00 0.00 N ATOM 154 CZ ARG A 16 -13.220 -8.090 -0.400 1.00 0.00 C ATOM 155 NH1 ARG A 16 -12.170 -7.900 0.400 1.00 0.00 N ATOM 156 NH2 ARG A 16 -13.140 -9.100 -1.270 1.00 0.00 N ATOM 0 H ARG A 16 -13.882 -3.895 1.561 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.462 -2.756 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.110 -4.732 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.368 -4.243 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.583 -6.171 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.686 -4.938 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.683 -5.369 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.563 -6.461 1.443 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.848 -7.319 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.105 -7.052 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.432 -8.603 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.837 -9.194 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.381 -9.778 -1.196 1.00 0.00 H new ATOM 163 N VAL A 17 -16.820 -1.870 2.700 1.00 0.00 N ATOM 164 CA VAL A 17 -17.600 -0.800 3.340 1.00 0.00 C ATOM 165 C VAL A 17 -16.780 -0.190 4.480 1.00 0.00 C ATOM 166 O VAL A 17 -16.930 -0.550 5.650 1.00 0.00 O ATOM 167 CB VAL A 17 -18.970 -1.300 3.810 1.00 0.00 C ATOM 168 CG1 VAL A 17 -19.830 -0.150 4.340 1.00 0.00 C ATOM 169 CG2 VAL A 17 -19.770 -1.970 2.690 1.00 0.00 C ATOM 0 H VAL A 17 -16.487 -2.585 3.346 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.805 -0.020 2.607 1.00 0.00 H new ATOM 0 HB VAL A 17 -18.754 -2.025 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -20.795 -0.538 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -19.326 0.323 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.982 0.585 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -20.731 -2.305 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.934 -1.256 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -19.215 -2.827 2.309 1.00 0.00 H new ATOM 171 N GLN A 18 -15.760 0.580 4.080 1.00 0.00 N ATOM 172 CA GLN A 18 -14.870 1.330 4.970 1.00 0.00 C ATOM 173 C GLN A 18 -14.210 0.490 6.080 1.00 0.00 C ATOM 174 O GLN A 18 -13.620 -0.530 5.760 1.00 0.00 O ATOM 175 CB GLN A 18 -15.520 2.630 5.440 1.00 0.00 C ATOM 176 CG GLN A 18 -15.390 3.750 4.400 1.00 0.00 C ATOM 177 CD GLN A 18 -15.260 5.120 5.050 1.00 0.00 C ATOM 178 OE1 GLN A 18 -14.690 5.300 6.130 1.00 0.00 O ATOM 179 NE2 GLN A 18 -15.680 6.170 4.360 1.00 0.00 N ATOM 0 H GLN A 18 -15.525 0.701 3.095 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.008 1.624 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.575 2.452 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.058 2.948 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.519 3.562 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.262 3.740 3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.153 6.037 3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.531 7.112 4.723 1.00 0.00 H new ATOM 183 N GLY A 19 -14.120 1.030 7.290 1.00 0.00 N ATOM 184 CA GLY A 19 -13.590 0.340 8.480 1.00 0.00 C ATOM 185 C GLY A 19 -12.070 0.240 8.590 1.00 0.00 C ATOM 186 O GLY A 19 -11.520 0.200 9.690 1.00 0.00 O ATOM 0 H GLY A 19 -14.419 1.985 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.963 0.853 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.001 -0.670 8.500 1.00 0.00 H new ATOM 188 N VAL A 20 -11.420 0.030 7.450 1.00 0.00 N ATOM 189 CA VAL A 20 -9.970 -0.100 7.280 1.00 0.00 C ATOM 190 C VAL A 20 -9.130 1.050 7.840 1.00 0.00 C ATOM 191 O VAL A 20 -8.790 2.030 7.180 1.00 0.00 O ATOM 192 CB VAL A 20 -9.570 -0.420 5.830 1.00 0.00 C ATOM 193 CG1 VAL A 20 -9.690 -1.920 5.580 1.00 0.00 C ATOM 194 CG2 VAL A 20 -10.300 0.400 4.770 1.00 0.00 C ATOM 0 H VAL A 20 -11.918 -0.060 6.564 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.725 -0.958 7.906 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.529 -0.117 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.406 -2.141 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.031 -2.456 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.720 -2.236 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.953 0.106 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.373 0.222 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.096 1.459 4.926 1.00 0.00 H new ATOM 196 N CYS A 21 -8.600 0.760 9.030 1.00 0.00 N ATOM 197 CA CYS A 21 -7.720 1.670 9.770 1.00 0.00 C ATOM 198 C CYS A 21 -6.270 1.310 9.450 1.00 0.00 C ATOM 199 O CYS A 21 -5.670 0.410 10.050 1.00 0.00 O ATOM 200 CB CYS A 21 -8.030 1.580 11.270 1.00 0.00 C ATOM 201 SG CYS A 21 -9.720 2.160 11.690 1.00 0.00 S ATOM 0 H CYS A 21 -8.771 -0.122 9.513 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.886 2.705 9.472 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.915 0.547 11.598 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.301 2.173 11.822 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.594 1.483 11.006 1.00 0.00 H new ATOM 204 N PHE A 22 -5.930 1.730 8.240 1.00 0.00 N ATOM 205 CA PHE A 22 -4.600 1.600 7.630 1.00 0.00 C ATOM 206 C PHE A 22 -3.610 2.640 8.130 1.00 0.00 C ATOM 207 O PHE A 22 -2.400 2.400 8.190 1.00 0.00 O ATOM 208 CB PHE A 22 -4.840 1.710 6.120 1.00 0.00 C ATOM 209 CG PHE A 22 -3.630 1.310 5.260 1.00 0.00 C ATOM 210 CD1 PHE A 22 -3.380 -0.040 5.020 1.00 0.00 C ATOM 211 CD2 PHE A 22 -2.910 2.300 4.610 1.00 0.00 C ATOM 212 CE1 PHE A 22 -2.400 -0.400 4.100 1.00 0.00 C ATOM 213 CE2 PHE A 22 -1.930 1.950 3.690 1.00 0.00 C ATOM 214 CZ PHE A 22 -1.690 0.600 3.440 1.00 0.00 C ATOM 0 H PHE A 22 -6.598 2.192 7.623 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.138 0.651 7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.687 1.079 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.118 2.737 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.942 -0.800 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.110 3.341 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.193 -1.441 3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.363 2.712 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.936 0.323 2.718 1.00 0.00 H new ATOM 216 N ARG A 23 -4.150 3.800 8.490 1.00 0.00 N ATOM 217 CA ARG A 23 -3.420 4.940 9.080 1.00 0.00 C ATOM 218 C ARG A 23 -2.540 4.560 10.270 1.00 0.00 C ATOM 219 O ARG A 23 -2.800 3.580 10.980 1.00 0.00 O ATOM 220 CB ARG A 23 -4.430 6.000 9.490 1.00 0.00 C ATOM 221 CG ARG A 23 -5.100 6.710 8.310 1.00 0.00 C ATOM 222 CD ARG A 23 -4.150 7.640 7.550 1.00 0.00 C ATOM 223 NE ARG A 23 -3.590 8.690 8.410 1.00 0.00 N ATOM 224 CZ ARG A 23 -4.180 9.840 8.780 1.00 0.00 C ATOM 225 NH1 ARG A 23 -5.380 10.220 8.320 1.00 0.00 N ATOM 226 NH2 ARG A 23 -3.630 10.570 9.760 1.00 0.00 N ATOM 0 H ARG A 23 -5.146 3.989 8.379 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.737 5.319 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.200 5.535 10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.930 6.743 10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.496 5.963 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.949 7.288 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.338 7.054 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.684 8.101 6.719 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.648 8.529 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.885 9.627 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.789 11.102 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.775 10.251 10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.067 11.445 10.051 1.00 0.00 H new ATOM 233 N MET A 24 -1.530 5.390 10.490 1.00 0.00 N ATOM 234 CA MET A 24 -0.440 5.220 11.470 1.00 0.00 C ATOM 235 C MET A 24 0.470 4.020 11.220 1.00 0.00 C ATOM 236 O MET A 24 1.640 4.200 10.880 1.00 0.00 O ATOM 237 CB MET A 24 -0.930 5.240 12.920 1.00 0.00 C ATOM 238 CG MET A 24 -1.380 6.630 13.390 1.00 0.00 C ATOM 239 SD MET A 24 -2.900 7.280 12.600 1.00 0.00 S ATOM 240 CE MET A 24 -2.970 8.900 13.340 1.00 0.00 C ATOM 0 H MET A 24 -1.434 6.257 9.962 1.00 0.00 H new ATOM 0 HA MET A 24 0.180 6.102 11.310 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.761 4.542 13.025 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.131 4.885 13.571 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.539 6.595 14.468 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.568 7.335 13.210 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.843 9.434 12.965 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.042 8.802 14.423 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.068 9.456 13.085 1.00 0.00 H new ATOM 242 N TYR A 25 -0.140 2.840 11.170 1.00 0.00 N ATOM 243 CA TYR A 25 0.460 1.550 10.820 1.00 0.00 C ATOM 244 C TYR A 25 1.330 1.670 9.560 1.00 0.00 C ATOM 245 O TYR A 25 2.540 1.470 9.630 1.00 0.00 O ATOM 246 CB TYR A 25 -0.700 0.570 10.620 1.00 0.00 C ATOM 247 CG TYR A 25 -0.280 -0.840 10.210 1.00 0.00 C ATOM 248 CD1 TYR A 25 0.410 -1.640 11.120 1.00 0.00 C ATOM 249 CD2 TYR A 25 -0.620 -1.300 8.940 1.00 0.00 C ATOM 250 CE1 TYR A 25 0.770 -2.930 10.750 1.00 0.00 C ATOM 251 CE2 TYR A 25 -0.260 -2.590 8.570 1.00 0.00 C ATOM 252 CZ TYR A 25 0.430 -3.380 9.480 1.00 0.00 C ATOM 253 OH TYR A 25 0.820 -4.640 9.150 1.00 0.00 O ATOM 0 H TYR A 25 -1.133 2.750 11.387 1.00 0.00 H new ATOM 0 HA TYR A 25 1.125 1.197 11.608 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.271 0.510 11.547 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.369 0.971 9.859 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.661 -1.262 12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.156 -0.663 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.304 -3.571 11.436 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.512 -2.972 7.592 1.00 0.00 H new ATOM 0 HH TYR A 25 0.540 -4.839 8.232 1.00 0.00 H new ATOM 256 N ALA A 26 0.700 2.170 8.510 1.00 0.00 N ATOM 257 CA ALA A 26 1.330 2.540 7.240 1.00 0.00 C ATOM 258 C ALA A 26 2.510 3.490 7.430 1.00 0.00 C ATOM 259 O ALA A 26 3.650 3.030 7.460 1.00 0.00 O ATOM 260 CB ALA A 26 0.260 3.110 6.300 1.00 0.00 C ATOM 0 H ALA A 26 -0.306 2.339 8.513 1.00 0.00 H new ATOM 0 HA ALA A 26 1.757 1.647 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.720 3.388 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.508 2.357 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.193 3.990 6.756 1.00 0.00 H new ATOM 262 N GLU A 27 2.210 4.720 7.840 1.00 0.00 N ATOM 263 CA GLU A 27 3.160 5.810 8.110 1.00 0.00 C ATOM 264 C GLU A 27 4.460 5.380 8.790 1.00 0.00 C ATOM 265 O GLU A 27 5.520 5.300 8.160 1.00 0.00 O ATOM 266 CB GLU A 27 2.480 6.900 8.930 1.00 0.00 C ATOM 267 CG GLU A 27 1.460 7.760 8.180 1.00 0.00 C ATOM 268 CD GLU A 27 0.020 7.230 8.230 1.00 0.00 C ATOM 269 OE1 GLU A 27 -0.230 6.120 7.690 1.00 0.00 O ATOM 270 OE2 GLU A 27 -0.790 7.840 8.950 1.00 0.00 O ATOM 0 H GLU A 27 1.244 5.005 8.004 1.00 0.00 H new ATOM 0 HA GLU A 27 3.456 6.186 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.979 6.432 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.250 7.555 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.477 8.767 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.768 7.840 7.138 1.00 0.00 H new ATOM 272 N ASP A 28 4.300 4.870 10.010 1.00 0.00 N ATOM 273 CA ASP A 28 5.380 4.480 10.930 1.00 0.00 C ATOM 274 C ASP A 28 6.250 3.340 10.400 1.00 0.00 C ATOM 275 O ASP A 28 7.450 3.520 10.230 1.00 0.00 O ATOM 276 CB ASP A 28 4.780 4.130 12.290 1.00 0.00 C ATOM 277 CG ASP A 28 4.210 5.350 13.010 1.00 0.00 C ATOM 278 OD1 ASP A 28 3.050 5.710 12.700 1.00 0.00 O ATOM 279 OD2 ASP A 28 4.960 5.940 13.820 1.00 0.00 O ATOM 0 H ASP A 28 3.374 4.708 10.407 1.00 0.00 H new ATOM 0 HA ASP A 28 6.051 5.334 11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.991 3.390 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.546 3.669 12.914 1.00 0.00 H new ATOM 281 N GLU A 29 5.610 2.240 9.990 1.00 0.00 N ATOM 282 CA GLU A 29 6.320 1.080 9.460 1.00 0.00 C ATOM 283 C GLU A 29 6.970 1.320 8.090 1.00 0.00 C ATOM 284 O GLU A 29 8.130 0.960 7.900 1.00 0.00 O ATOM 285 CB GLU A 29 5.440 -0.170 9.420 1.00 0.00 C ATOM 286 CG GLU A 29 5.220 -0.740 10.830 1.00 0.00 C ATOM 287 CD GLU A 29 4.320 -1.980 10.860 1.00 0.00 C ATOM 288 OE1 GLU A 29 4.360 -2.780 9.900 1.00 0.00 O ATOM 289 OE2 GLU A 29 3.610 -2.110 11.880 1.00 0.00 O ATOM 0 H GLU A 29 4.596 2.132 10.017 1.00 0.00 H new ATOM 0 HA GLU A 29 7.132 0.910 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.478 0.074 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.906 -0.926 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.187 -0.993 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.780 0.033 11.460 1.00 0.00 H new ATOM 291 N ALA A 30 6.300 2.090 7.240 1.00 0.00 N ATOM 292 CA ALA A 30 6.820 2.510 5.930 1.00 0.00 C ATOM 293 C ALA A 30 8.080 3.370 6.040 1.00 0.00 C ATOM 294 O ALA A 30 9.050 3.150 5.320 1.00 0.00 O ATOM 295 CB ALA A 30 5.730 3.250 5.160 1.00 0.00 C ATOM 0 H ALA A 30 5.366 2.449 7.438 1.00 0.00 H new ATOM 0 HA ALA A 30 7.109 1.609 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.117 3.561 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.875 2.590 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.419 4.129 5.724 1.00 0.00 H new ATOM 297 N ARG A 31 8.070 4.280 7.010 1.00 0.00 N ATOM 298 CA ARG A 31 9.260 5.030 7.440 1.00 0.00 C ATOM 299 C ARG A 31 10.410 4.080 7.780 1.00 0.00 C ATOM 300 O ARG A 31 11.460 4.160 7.150 1.00 0.00 O ATOM 301 CB ARG A 31 8.870 5.920 8.620 1.00 0.00 C ATOM 302 CG ARG A 31 10.060 6.640 9.250 1.00 0.00 C ATOM 303 CD ARG A 31 9.650 7.360 10.540 1.00 0.00 C ATOM 304 NE ARG A 31 10.860 7.520 11.360 1.00 0.00 N ATOM 305 CZ ARG A 31 10.910 7.970 12.620 1.00 0.00 C ATOM 306 NH1 ARG A 31 9.830 8.420 13.280 1.00 0.00 N ATOM 307 NH2 ARG A 31 12.040 7.800 13.330 1.00 0.00 N ATOM 0 H ARG A 31 7.227 4.525 7.530 1.00 0.00 H new ATOM 0 HA ARG A 31 9.621 5.663 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.143 6.659 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.379 5.311 9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.851 5.922 9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.469 7.361 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.209 8.331 10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.896 6.785 11.077 1.00 0.00 H new ATOM 0 HE ARG A 31 11.747 7.263 10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.919 8.429 12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.921 8.753 14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.843 7.334 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.094 8.137 14.291 1.00 0.00 H new ATOM 314 N LYS A 32 10.140 3.090 8.630 1.00 0.00 N ATOM 315 CA LYS A 32 11.110 2.070 9.050 1.00 0.00 C ATOM 316 C LYS A 32 11.650 1.210 7.910 1.00 0.00 C ATOM 317 O LYS A 32 12.830 0.880 7.890 1.00 0.00 O ATOM 318 CB LYS A 32 10.520 1.180 10.140 1.00 0.00 C ATOM 319 CG LYS A 32 10.020 1.930 11.380 1.00 0.00 C ATOM 320 CD LYS A 32 11.120 2.720 12.100 1.00 0.00 C ATOM 321 CE LYS A 32 10.560 3.580 13.230 1.00 0.00 C ATOM 322 NZ LYS A 32 9.760 4.690 12.700 1.00 0.00 N ATOM 0 H LYS A 32 9.222 2.969 9.057 1.00 0.00 H new ATOM 0 HA LYS A 32 11.962 2.626 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.691 0.612 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.276 0.458 10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.225 2.615 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.582 1.215 12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.859 2.028 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.638 3.356 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.945 2.966 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.379 3.973 13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.704 5.448 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.206 5.058 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.802 4.352 12.478 1.00 0.00 H new ATOM 327 N ILE A 33 10.770 0.840 6.980 1.00 0.00 N ATOM 328 CA ILE A 33 11.110 0.140 5.730 1.00 0.00 C ATOM 329 C ILE A 33 12.040 0.980 4.850 1.00 0.00 C ATOM 330 O ILE A 33 12.930 0.440 4.200 1.00 0.00 O ATOM 331 CB ILE A 33 9.830 -0.270 5.000 1.00 0.00 C ATOM 332 CG1 ILE A 33 8.920 -1.200 5.820 1.00 0.00 C ATOM 333 CG2 ILE A 33 10.060 -0.860 3.600 1.00 0.00 C ATOM 334 CD1 ILE A 33 9.560 -2.460 6.390 1.00 0.00 C ATOM 0 H ILE A 33 9.771 1.022 7.073 1.00 0.00 H new ATOM 0 HA ILE A 33 11.663 -0.767 5.974 1.00 0.00 H new ATOM 0 HB ILE A 33 9.310 0.679 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.505 -0.625 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.083 -1.500 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.101 -1.123 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.562 -0.123 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.681 -1.752 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.814 -3.028 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.948 -3.071 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.376 -2.184 7.057 1.00 0.00 H new ATOM 336 N GLY A 34 11.860 2.300 4.890 1.00 0.00 N ATOM 337 CA GLY A 34 12.610 3.280 4.090 1.00 0.00 C ATOM 338 C GLY A 34 11.850 3.750 2.850 1.00 0.00 C ATOM 339 O GLY A 34 12.450 4.000 1.800 1.00 0.00 O ATOM 0 H GLY A 34 11.167 2.735 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.847 4.143 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.558 2.839 3.782 1.00 0.00 H new ATOM 341 N VAL A 35 10.530 3.900 2.980 1.00 0.00 N ATOM 342 CA VAL A 35 9.660 4.330 1.890 1.00 0.00 C ATOM 343 C VAL A 35 8.830 5.590 2.180 1.00 0.00 C ATOM 344 O VAL A 35 8.470 5.940 3.300 1.00 0.00 O ATOM 345 CB VAL A 35 8.780 3.210 1.310 1.00 0.00 C ATOM 346 CG1 VAL A 35 9.620 2.120 0.640 1.00 0.00 C ATOM 347 CG2 VAL A 35 7.840 2.600 2.340 1.00 0.00 C ATOM 0 H VAL A 35 10.033 3.724 3.853 1.00 0.00 H new ATOM 0 HA VAL A 35 10.375 4.611 1.117 1.00 0.00 H new ATOM 0 HB VAL A 35 8.159 3.684 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.963 1.347 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.200 2.556 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.296 1.680 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.246 1.816 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.422 2.174 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.178 3.373 2.731 1.00 0.00 H new ATOM 349 N VAL A 36 8.440 6.170 1.050 1.00 0.00 N ATOM 350 CA VAL A 36 7.770 7.460 0.870 1.00 0.00 C ATOM 351 C VAL A 36 6.490 7.260 0.050 1.00 0.00 C ATOM 352 O VAL A 36 6.340 6.270 -0.670 1.00 0.00 O ATOM 353 CB VAL A 36 8.830 8.330 0.190 1.00 0.00 C ATOM 354 CG1 VAL A 36 8.330 9.510 -0.640 1.00 0.00 C ATOM 355 CG2 VAL A 36 9.880 8.810 1.190 1.00 0.00 C ATOM 0 H VAL A 36 8.598 5.710 0.153 1.00 0.00 H new ATOM 0 HA VAL A 36 7.431 7.936 1.790 1.00 0.00 H new ATOM 0 HB VAL A 36 9.267 7.648 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.181 10.042 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.691 9.145 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.760 10.187 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.618 9.425 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.397 9.399 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.375 7.949 1.639 1.00 0.00 H new ATOM 357 N GLY A 37 5.540 8.180 0.220 1.00 0.00 N ATOM 358 CA GLY A 37 4.270 8.200 -0.520 1.00 0.00 C ATOM 359 C GLY A 37 3.110 8.670 0.360 1.00 0.00 C ATOM 360 O GLY A 37 3.290 9.460 1.280 1.00 0.00 O ATOM 0 H GLY A 37 5.629 8.947 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.362 8.859 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.056 7.202 -0.902 1.00 0.00 H new ATOM 362 N TRP A 38 1.940 8.070 0.110 1.00 0.00 N ATOM 363 CA TRP A 38 0.670 8.470 0.740 1.00 0.00 C ATOM 364 C TRP A 38 -0.480 7.470 0.590 1.00 0.00 C ATOM 365 O TRP A 38 -0.430 6.500 -0.170 1.00 0.00 O ATOM 366 CB TRP A 38 0.220 9.850 0.260 1.00 0.00 C ATOM 367 CG TRP A 38 0.110 10.020 -1.260 1.00 0.00 C ATOM 368 CD1 TRP A 38 1.120 10.440 -2.020 1.00 0.00 C ATOM 369 CD2 TRP A 38 -1.040 10.020 -2.040 1.00 0.00 C ATOM 370 NE1 TRP A 38 0.660 10.720 -3.240 1.00 0.00 N ATOM 371 CE2 TRP A 38 -0.650 10.480 -3.300 1.00 0.00 C ATOM 372 CE3 TRP A 38 -2.370 9.750 -1.780 1.00 0.00 C ATOM 373 CZ2 TRP A 38 -1.570 10.650 -4.320 1.00 0.00 C ATOM 374 CZ3 TRP A 38 -3.300 9.930 -2.800 1.00 0.00 C ATOM 375 CH2 TRP A 38 -2.910 10.370 -4.060 1.00 0.00 C ATOM 0 H TRP A 38 1.844 7.288 -0.538 1.00 0.00 H new ATOM 0 HA TRP A 38 0.902 8.498 1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.751 10.070 0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.920 10.593 0.641 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.147 10.538 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.227 11.067 -4.014 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.682 9.406 -0.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.256 10.992 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.343 9.724 -2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.647 10.495 -4.839 1.00 0.00 H new ATOM 378 N VAL A 39 -1.510 7.760 1.380 1.00 0.00 N ATOM 379 CA VAL A 39 -2.790 7.040 1.440 1.00 0.00 C ATOM 380 C VAL A 39 -3.870 7.910 0.790 1.00 0.00 C ATOM 381 O VAL A 39 -3.920 9.130 0.990 1.00 0.00 O ATOM 382 CB VAL A 39 -3.120 6.750 2.900 1.00 0.00 C ATOM 383 CG1 VAL A 39 -4.500 6.110 3.110 1.00 0.00 C ATOM 384 CG2 VAL A 39 -2.080 5.870 3.600 1.00 0.00 C ATOM 0 H VAL A 39 -1.478 8.544 2.032 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.735 6.093 0.903 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.116 7.742 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.661 5.934 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.273 6.779 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.547 5.162 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.380 5.705 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.009 4.912 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.110 6.366 3.578 1.00 0.00 H new ATOM 386 N LYS A 40 -4.700 7.270 -0.020 1.00 0.00 N ATOM 387 CA LYS A 40 -5.890 7.850 -0.660 1.00 0.00 C ATOM 388 C LYS A 40 -7.150 7.150 -0.120 1.00 0.00 C ATOM 389 O LYS A 40 -7.370 5.950 -0.310 1.00 0.00 O ATOM 390 CB LYS A 40 -5.800 7.700 -2.180 1.00 0.00 C ATOM 391 CG LYS A 40 -6.920 8.430 -2.940 1.00 0.00 C ATOM 392 CD LYS A 40 -6.710 8.260 -4.450 1.00 0.00 C ATOM 393 CE LYS A 40 -7.910 8.710 -5.280 1.00 0.00 C ATOM 394 NZ LYS A 40 -8.070 10.180 -5.250 1.00 0.00 N ATOM 0 H LYS A 40 -4.564 6.289 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.946 8.913 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.836 8.081 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.831 6.641 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.891 8.030 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.921 9.488 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.832 8.830 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.500 7.212 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.786 8.378 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.815 8.237 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.894 10.451 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.213 10.494 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.216 10.630 -5.636 1.00 0.00 H new ATOM 399 N ASN A 41 -7.920 7.970 0.580 1.00 0.00 N ATOM 400 CA ASN A 41 -9.200 7.590 1.190 1.00 0.00 C ATOM 401 C ASN A 41 -10.350 7.920 0.230 1.00 0.00 C ATOM 402 O ASN A 41 -10.510 9.040 -0.240 1.00 0.00 O ATOM 403 CB ASN A 41 -9.400 8.310 2.520 1.00 0.00 C ATOM 404 CG ASN A 41 -9.390 9.840 2.410 1.00 0.00 C ATOM 405 OD1 ASN A 41 -8.420 10.470 1.990 1.00 0.00 O ATOM 406 ND2 ASN A 41 -10.500 10.480 2.770 1.00 0.00 N ATOM 0 H ASN A 41 -7.671 8.945 0.748 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.190 6.517 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.349 7.994 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.615 8.001 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.549 11.496 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.302 9.954 3.118 1.00 0.00 H new ATOM 410 N THR A 42 -11.060 6.860 -0.140 1.00 0.00 N ATOM 411 CA THR A 42 -12.240 6.970 -1.010 1.00 0.00 C ATOM 412 C THR A 42 -13.520 6.950 -0.160 1.00 0.00 C ATOM 413 O THR A 42 -13.500 6.710 1.040 1.00 0.00 O ATOM 414 CB THR A 42 -12.300 5.780 -1.970 1.00 0.00 C ATOM 415 OG1 THR A 42 -12.510 4.610 -1.170 1.00 0.00 O ATOM 416 CG2 THR A 42 -11.080 5.670 -2.880 1.00 0.00 C ATOM 0 H THR A 42 -10.842 5.906 0.148 1.00 0.00 H new ATOM 0 HA THR A 42 -12.165 7.903 -1.568 1.00 0.00 H new ATOM 0 HB THR A 42 -13.124 5.912 -2.671 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.364 3.810 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.190 4.805 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.995 6.573 -3.485 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.182 5.554 -2.273 1.00 0.00 H new ATOM 419 N SER A 43 -14.640 7.050 -0.870 1.00 0.00 N ATOM 420 CA SER A 43 -15.990 6.870 -0.320 1.00 0.00 C ATOM 421 C SER A 43 -16.200 5.500 0.330 1.00 0.00 C ATOM 422 O SER A 43 -16.480 5.420 1.520 1.00 0.00 O ATOM 423 CB SER A 43 -17.010 7.080 -1.440 1.00 0.00 C ATOM 424 OG SER A 43 -16.610 6.310 -2.570 1.00 0.00 O ATOM 0 H SER A 43 -14.640 7.263 -1.867 1.00 0.00 H new ATOM 0 HA SER A 43 -16.123 7.607 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.003 6.777 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.070 8.136 -1.704 1.00 0.00 H new ATOM 0 HG SER A 43 -17.257 6.434 -3.296 1.00 0.00 H new ATOM 427 N LYS A 44 -15.890 4.450 -0.420 1.00 0.00 N ATOM 428 CA LYS A 44 -16.150 3.060 -0.030 1.00 0.00 C ATOM 429 C LYS A 44 -14.890 2.240 0.300 1.00 0.00 C ATOM 430 O LYS A 44 -14.560 1.270 -0.370 1.00 0.00 O ATOM 431 CB LYS A 44 -17.010 2.380 -1.090 1.00 0.00 C ATOM 432 CG LYS A 44 -18.420 2.960 -1.150 1.00 0.00 C ATOM 433 CD LYS A 44 -19.250 2.310 -2.250 1.00 0.00 C ATOM 434 CE LYS A 44 -20.650 2.930 -2.320 1.00 0.00 C ATOM 435 NZ LYS A 44 -21.440 2.280 -3.370 1.00 0.00 N ATOM 0 H LYS A 44 -15.443 4.536 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.696 3.099 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.534 2.487 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.067 1.312 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.914 2.817 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.364 4.035 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.747 2.430 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.331 1.239 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.152 2.823 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.573 3.998 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.387 2.709 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -20.967 2.404 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.528 1.265 -3.160 1.00 0.00 H new ATOM 440 N GLY A 45 -14.060 2.850 1.150 1.00 0.00 N ATOM 441 CA GLY A 45 -12.950 2.230 1.880 1.00 0.00 C ATOM 442 C GLY A 45 -11.800 1.580 1.100 1.00 0.00 C ATOM 443 O GLY A 45 -10.970 0.890 1.680 1.00 0.00 O ATOM 0 H GLY A 45 -14.149 3.844 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.516 2.994 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.374 1.467 2.532 1.00 0.00 H new ATOM 445 N THR A 46 -11.850 1.680 -0.230 1.00 0.00 N ATOM 446 CA THR A 46 -10.730 1.330 -1.120 1.00 0.00 C ATOM 447 C THR A 46 -9.530 2.260 -0.900 1.00 0.00 C ATOM 448 O THR A 46 -9.380 3.310 -1.510 1.00 0.00 O ATOM 449 CB THR A 46 -11.170 1.350 -2.590 1.00 0.00 C ATOM 450 OG1 THR A 46 -11.970 2.500 -2.820 1.00 0.00 O ATOM 451 CG2 THR A 46 -11.910 0.070 -2.980 1.00 0.00 C ATOM 0 H THR A 46 -12.676 2.009 -0.729 1.00 0.00 H new ATOM 0 HA THR A 46 -10.417 0.316 -0.871 1.00 0.00 H new ATOM 0 HB THR A 46 -10.282 1.397 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.253 2.519 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.204 0.125 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.255 -0.789 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.799 -0.040 -2.359 1.00 0.00 H new ATOM 454 N VAL A 47 -8.770 1.870 0.120 1.00 0.00 N ATOM 455 CA VAL A 47 -7.560 2.560 0.570 1.00 0.00 C ATOM 456 C VAL A 47 -6.420 2.270 -0.410 1.00 0.00 C ATOM 457 O VAL A 47 -5.890 1.170 -0.510 1.00 0.00 O ATOM 458 CB VAL A 47 -7.240 2.240 2.030 1.00 0.00 C ATOM 459 CG1 VAL A 47 -5.880 2.760 2.490 1.00 0.00 C ATOM 460 CG2 VAL A 47 -8.310 2.840 2.950 1.00 0.00 C ATOM 0 H VAL A 47 -8.984 1.041 0.674 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.718 3.638 0.561 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.221 1.152 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.724 2.495 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.094 2.313 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.850 3.844 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.071 2.605 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.337 3.922 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.284 2.420 2.698 1.00 0.00 H new ATOM 462 N THR A 48 -6.350 3.230 -1.320 1.00 0.00 N ATOM 463 CA THR A 48 -5.370 3.300 -2.410 1.00 0.00 C ATOM 464 C THR A 48 -4.280 4.320 -2.060 1.00 0.00 C ATOM 465 O THR A 48 -4.180 4.740 -0.910 1.00 0.00 O ATOM 466 CB THR A 48 -6.100 3.520 -3.740 1.00 0.00 C ATOM 467 OG1 THR A 48 -5.180 3.620 -4.830 1.00 0.00 O ATOM 468 CG2 THR A 48 -7.110 4.670 -3.760 1.00 0.00 C ATOM 0 H THR A 48 -6.998 4.017 -1.325 1.00 0.00 H new ATOM 0 HA THR A 48 -4.835 2.359 -2.538 1.00 0.00 H new ATOM 0 HB THR A 48 -6.708 2.624 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.554 2.866 -4.800 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.567 4.736 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.883 4.488 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.600 5.606 -3.533 1.00 0.00 H new ATOM 471 N GLY A 49 -3.440 4.660 -3.020 1.00 0.00 N ATOM 472 CA GLY A 49 -2.320 5.600 -2.870 1.00 0.00 C ATOM 473 C GLY A 49 -1.020 5.110 -3.520 1.00 0.00 C ATOM 474 O GLY A 49 -0.970 4.050 -4.150 1.00 0.00 O ATOM 0 H GLY A 49 -3.513 4.281 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.598 6.558 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.143 5.776 -1.809 1.00 0.00 H new ATOM 476 N GLN A 50 0.040 5.790 -3.090 1.00 0.00 N ATOM 477 CA GLN A 50 1.370 5.720 -3.710 1.00 0.00 C ATOM 478 C GLN A 50 2.460 5.310 -2.720 1.00 0.00 C ATOM 479 O GLN A 50 2.510 5.810 -1.590 1.00 0.00 O ATOM 480 CB GLN A 50 1.720 7.080 -4.310 1.00 0.00 C ATOM 481 CG GLN A 50 0.950 7.350 -5.600 1.00 0.00 C ATOM 482 CD GLN A 50 1.020 8.780 -6.120 1.00 0.00 C ATOM 483 OE1 GLN A 50 1.850 9.620 -5.770 1.00 0.00 O ATOM 484 NE2 GLN A 50 0.070 9.130 -6.980 1.00 0.00 N ATOM 0 H GLN A 50 0.003 6.418 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 50 1.328 4.954 -4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.500 7.864 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.790 7.123 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.327 6.682 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.097 7.092 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.624 8.445 -7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.035 10.083 -7.341 1.00 0.00 H new ATOM 488 N VAL A 51 3.250 4.330 -3.160 1.00 0.00 N ATOM 489 CA VAL A 51 4.460 3.830 -2.500 1.00 0.00 C ATOM 490 C VAL A 51 5.630 4.040 -3.470 1.00 0.00 C ATOM 491 O VAL A 51 5.710 3.400 -4.510 1.00 0.00 O ATOM 492 CB VAL A 51 4.360 2.350 -2.140 1.00 0.00 C ATOM 493 CG1 VAL A 51 5.590 1.860 -1.380 1.00 0.00 C ATOM 494 CG2 VAL A 51 3.130 2.030 -1.290 1.00 0.00 C ATOM 0 H VAL A 51 3.054 3.837 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 51 4.602 4.373 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 51 4.282 1.836 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.475 0.802 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.478 2.000 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.697 2.428 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.111 0.964 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.173 2.597 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.228 2.301 -1.839 1.00 0.00 H new ATOM 496 N GLN A 52 6.480 5.000 -3.110 1.00 0.00 N ATOM 497 CA GLN A 52 7.770 5.260 -3.750 1.00 0.00 C ATOM 498 C GLN A 52 8.860 4.900 -2.740 1.00 0.00 C ATOM 499 O GLN A 52 8.830 5.340 -1.590 1.00 0.00 O ATOM 500 CB GLN A 52 7.940 6.730 -4.140 1.00 0.00 C ATOM 501 CG GLN A 52 8.680 6.960 -5.460 1.00 0.00 C ATOM 502 CD GLN A 52 10.000 6.230 -5.670 1.00 0.00 C ATOM 503 OE1 GLN A 52 10.090 5.020 -5.860 1.00 0.00 O ATOM 504 NE2 GLN A 52 11.120 6.940 -5.840 1.00 0.00 N ATOM 0 H GLN A 52 6.284 5.640 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 52 7.832 4.667 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.954 7.190 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.478 7.243 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.010 6.681 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.869 8.029 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.110 7.950 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.984 6.472 -6.113 1.00 0.00 H new ATOM 508 N GLY A 53 9.830 4.130 -3.210 1.00 0.00 N ATOM 509 CA GLY A 53 10.990 3.690 -2.420 1.00 0.00 C ATOM 510 C GLY A 53 12.080 3.060 -3.290 1.00 0.00 C ATOM 511 O GLY A 53 11.790 2.650 -4.420 1.00 0.00 O ATOM 0 H GLY A 53 9.841 3.782 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.405 4.542 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.664 2.969 -1.671 1.00 0.00 H new ATOM 513 N PRO A 54 13.310 3.020 -2.800 1.00 0.00 N ATOM 514 CA PRO A 54 14.370 2.220 -3.430 1.00 0.00 C ATOM 515 C PRO A 54 13.980 0.740 -3.460 1.00 0.00 C ATOM 516 O PRO A 54 13.280 0.250 -2.570 1.00 0.00 O ATOM 517 CB PRO A 54 15.620 2.460 -2.580 1.00 0.00 C ATOM 518 CG PRO A 54 15.390 3.880 -2.050 1.00 0.00 C ATOM 519 CD PRO A 54 13.880 3.920 -1.790 1.00 0.00 C ATOM 0 HA PRO A 54 14.541 2.506 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.707 1.734 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.533 2.390 -3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.960 4.067 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.693 4.634 -2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.642 3.585 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.486 4.931 -1.892 1.00 0.00 H new ATOM 520 N GLU A 55 14.350 0.090 -4.550 1.00 0.00 N ATOM 521 CA GLU A 55 13.970 -1.290 -4.920 1.00 0.00 C ATOM 522 C GLU A 55 13.780 -2.270 -3.770 1.00 0.00 C ATOM 523 O GLU A 55 12.650 -2.640 -3.460 1.00 0.00 O ATOM 524 CB GLU A 55 14.970 -1.790 -5.960 1.00 0.00 C ATOM 525 CG GLU A 55 14.450 -3.010 -6.730 1.00 0.00 C ATOM 526 CD GLU A 55 15.530 -3.540 -7.680 1.00 0.00 C ATOM 527 OE1 GLU A 55 16.350 -4.350 -7.200 1.00 0.00 O ATOM 528 OE2 GLU A 55 15.520 -3.100 -8.850 1.00 0.00 O ATOM 0 H GLU A 55 14.956 0.522 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 55 12.963 -1.242 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.191 -0.987 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.907 -2.048 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.156 -3.792 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.559 -2.738 -7.297 1.00 0.00 H new ATOM 530 N GLU A 56 14.850 -2.590 -3.050 1.00 0.00 N ATOM 531 CA GLU A 56 14.800 -3.510 -1.900 1.00 0.00 C ATOM 532 C GLU A 56 13.740 -3.180 -0.840 1.00 0.00 C ATOM 533 O GLU A 56 13.010 -4.070 -0.400 1.00 0.00 O ATOM 534 CB GLU A 56 16.190 -3.700 -1.270 1.00 0.00 C ATOM 535 CG GLU A 56 16.810 -2.520 -0.520 1.00 0.00 C ATOM 536 CD GLU A 56 17.010 -1.280 -1.390 1.00 0.00 C ATOM 537 OE1 GLU A 56 17.890 -1.340 -2.280 1.00 0.00 O ATOM 538 OE2 GLU A 56 16.130 -0.390 -1.330 1.00 0.00 O ATOM 0 H GLU A 56 15.782 -2.222 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 56 14.472 -4.459 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.130 -4.540 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.879 -3.989 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.172 -2.262 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.773 -2.826 -0.111 1.00 0.00 H new ATOM 540 N LYS A 57 13.540 -1.890 -0.620 1.00 0.00 N ATOM 541 CA LYS A 57 12.570 -1.350 0.350 1.00 0.00 C ATOM 542 C LYS A 57 11.120 -1.510 -0.120 1.00 0.00 C ATOM 543 O LYS A 57 10.300 -2.040 0.630 1.00 0.00 O ATOM 544 CB LYS A 57 12.910 0.110 0.640 1.00 0.00 C ATOM 545 CG LYS A 57 14.290 0.210 1.310 1.00 0.00 C ATOM 546 CD LYS A 57 14.800 1.650 1.400 1.00 0.00 C ATOM 547 CE LYS A 57 16.180 1.740 2.060 1.00 0.00 C ATOM 548 NZ LYS A 57 16.100 1.350 3.480 1.00 0.00 N ATOM 0 H LYS A 57 14.055 -1.163 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 57 12.648 -1.927 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.905 0.683 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.150 0.546 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.234 -0.215 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.006 -0.390 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.850 2.078 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.089 2.250 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.883 1.091 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.564 2.757 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.471 2.120 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.109 1.165 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.664 0.490 3.636 1.00 0.00 H new ATOM 553 N VAL A 58 10.850 -1.260 -1.400 1.00 0.00 N ATOM 554 CA VAL A 58 9.530 -1.540 -1.980 1.00 0.00 C ATOM 555 C VAL A 58 9.160 -3.020 -2.020 1.00 0.00 C ATOM 556 O VAL A 58 8.010 -3.370 -1.760 1.00 0.00 O ATOM 557 CB VAL A 58 9.200 -0.830 -3.300 1.00 0.00 C ATOM 558 CG1 VAL A 58 8.930 0.650 -3.060 1.00 0.00 C ATOM 559 CG2 VAL A 58 10.230 -1.030 -4.420 1.00 0.00 C ATOM 0 H VAL A 58 11.523 -0.865 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 58 8.873 -1.069 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 58 8.295 -1.313 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.698 1.136 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.086 0.760 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.813 1.114 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.908 -0.490 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.199 -0.650 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.315 -2.092 -4.650 1.00 0.00 H new ATOM 561 N ASN A 59 10.140 -3.900 -2.220 1.00 0.00 N ATOM 562 CA ASN A 59 9.990 -5.350 -2.060 1.00 0.00 C ATOM 563 C ASN A 59 9.510 -5.750 -0.660 1.00 0.00 C ATOM 564 O ASN A 59 8.610 -6.580 -0.510 1.00 0.00 O ATOM 565 CB ASN A 59 11.310 -6.080 -2.320 1.00 0.00 C ATOM 566 CG ASN A 59 11.810 -6.070 -3.770 1.00 0.00 C ATOM 567 OD1 ASN A 59 11.760 -5.080 -4.490 1.00 0.00 O ATOM 568 ND2 ASN A 59 12.420 -7.180 -4.190 1.00 0.00 N ATOM 0 H ASN A 59 11.080 -3.622 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 59 9.237 -5.640 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.079 -5.635 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.198 -7.117 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.848 -7.208 -5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.458 -8.001 -3.586 1.00 0.00 H new ATOM 572 N SER A 60 10.150 -5.180 0.350 1.00 0.00 N ATOM 573 CA SER A 60 9.780 -5.320 1.760 1.00 0.00 C ATOM 574 C SER A 60 8.370 -4.810 2.050 1.00 0.00 C ATOM 575 O SER A 60 7.560 -5.540 2.620 1.00 0.00 O ATOM 576 CB SER A 60 10.810 -4.600 2.630 1.00 0.00 C ATOM 577 OG SER A 60 10.420 -4.620 4.010 1.00 0.00 O ATOM 0 H SER A 60 10.968 -4.587 0.212 1.00 0.00 H new ATOM 0 HA SER A 60 9.776 -6.383 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.784 -5.076 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.918 -3.569 2.294 1.00 0.00 H new ATOM 0 HG SER A 60 11.220 -4.616 4.576 1.00 0.00 H new ATOM 580 N MET A 61 8.060 -3.640 1.500 1.00 0.00 N ATOM 581 CA MET A 61 6.740 -3.000 1.550 1.00 0.00 C ATOM 582 C MET A 61 5.610 -3.850 0.940 1.00 0.00 C ATOM 583 O MET A 61 4.500 -3.840 1.460 1.00 0.00 O ATOM 584 CB MET A 61 6.870 -1.660 0.830 1.00 0.00 C ATOM 585 CG MET A 61 6.300 -0.490 1.620 1.00 0.00 C ATOM 586 SD MET A 61 4.470 -0.400 1.570 1.00 0.00 S ATOM 587 CE MET A 61 4.200 1.230 2.210 1.00 0.00 C ATOM 0 H MET A 61 8.745 -3.086 0.986 1.00 0.00 H new ATOM 0 HA MET A 61 6.450 -2.872 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 61 7.923 -1.469 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.360 -1.722 -0.132 1.00 0.00 H new ATOM 0 HG2 MET A 61 6.624 -0.570 2.658 1.00 0.00 H new ATOM 0 HG3 MET A 61 6.713 0.439 1.227 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.187 1.302 2.606 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.917 1.432 3.006 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.330 1.961 1.412 1.00 0.00 H new ATOM 589 N LYS A 62 5.900 -4.500 -0.180 1.00 0.00 N ATOM 590 CA LYS A 62 5.020 -5.490 -0.820 1.00 0.00 C ATOM 591 C LYS A 62 4.810 -6.780 -0.020 1.00 0.00 C ATOM 592 O LYS A 62 3.740 -7.380 -0.080 1.00 0.00 O ATOM 593 CB LYS A 62 5.500 -5.840 -2.230 1.00 0.00 C ATOM 594 CG LYS A 62 5.260 -4.720 -3.240 1.00 0.00 C ATOM 595 CD LYS A 62 5.560 -5.210 -4.660 1.00 0.00 C ATOM 596 CE LYS A 62 5.270 -4.120 -5.690 1.00 0.00 C ATOM 597 NZ LYS A 62 5.430 -4.650 -7.050 1.00 0.00 N ATOM 0 H LYS A 62 6.773 -4.355 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 62 4.051 -4.993 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.565 -6.070 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.989 -6.742 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.227 -4.379 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.893 -3.865 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.605 -5.513 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.957 -6.091 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.256 -3.744 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.945 -3.278 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.831 -3.913 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.069 -5.470 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.503 -4.943 -7.420 1.00 0.00 H new ATOM 602 N SER A 63 5.890 -7.260 0.590 1.00 0.00 N ATOM 603 CA SER A 63 5.830 -8.360 1.560 1.00 0.00 C ATOM 604 C SER A 63 4.920 -8.010 2.730 1.00 0.00 C ATOM 605 O SER A 63 4.180 -8.850 3.250 1.00 0.00 O ATOM 606 CB SER A 63 7.220 -8.720 2.100 1.00 0.00 C ATOM 607 OG SER A 63 8.090 -9.170 1.060 1.00 0.00 O ATOM 0 H SER A 63 6.831 -6.902 0.429 1.00 0.00 H new ATOM 0 HA SER A 63 5.426 -9.221 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.657 -7.850 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.126 -9.498 2.858 1.00 0.00 H new ATOM 0 HG SER A 63 8.327 -8.415 0.482 1.00 0.00 H new ATOM 610 N TRP A 64 5.050 -6.770 3.180 1.00 0.00 N ATOM 611 CA TRP A 64 4.100 -6.080 4.070 1.00 0.00 C ATOM 612 C TRP A 64 2.860 -5.630 3.290 1.00 0.00 C ATOM 613 O TRP A 64 2.660 -6.030 2.150 1.00 0.00 O ATOM 614 CB TRP A 64 4.920 -4.960 4.710 1.00 0.00 C ATOM 615 CG TRP A 64 4.190 -4.130 5.770 1.00 0.00 C ATOM 616 CD1 TRP A 64 3.440 -4.570 6.770 1.00 0.00 C ATOM 617 CD2 TRP A 64 4.120 -2.740 5.780 1.00 0.00 C ATOM 618 NE1 TRP A 64 2.860 -3.540 7.380 1.00 0.00 N ATOM 619 CE2 TRP A 64 3.220 -2.400 6.790 1.00 0.00 C ATOM 620 CE3 TRP A 64 4.760 -1.750 5.040 1.00 0.00 C ATOM 621 CZ2 TRP A 64 2.910 -1.070 7.050 1.00 0.00 C ATOM 622 CZ3 TRP A 64 4.470 -0.420 5.320 1.00 0.00 C ATOM 623 CH2 TRP A 64 3.550 -0.090 6.300 1.00 0.00 C ATOM 0 H TRP A 64 5.848 -6.186 2.931 1.00 0.00 H new ATOM 0 HA TRP A 64 3.680 -6.710 4.854 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.808 -5.398 5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.264 -4.290 3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.318 -5.607 7.047 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.232 -3.612 8.181 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.466 -2.010 4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.193 -0.806 7.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.967 0.364 4.768 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.325 0.950 6.486 1.00 0.00 H new ATOM 626 N LEU A 65 1.930 -5.010 4.020 1.00 0.00 N ATOM 627 CA LEU A 65 0.590 -4.590 3.590 1.00 0.00 C ATOM 628 C LEU A 65 -0.400 -5.730 3.360 1.00 0.00 C ATOM 629 O LEU A 65 -1.610 -5.530 3.420 1.00 0.00 O ATOM 630 CB LEU A 65 0.560 -3.660 2.380 1.00 0.00 C ATOM 631 CG LEU A 65 1.410 -2.390 2.490 1.00 0.00 C ATOM 632 CD1 LEU A 65 1.180 -1.530 1.250 1.00 0.00 C ATOM 633 CD2 LEU A 65 1.100 -1.570 3.740 1.00 0.00 C ATOM 0 H LEU A 65 2.104 -4.770 4.996 1.00 0.00 H new ATOM 0 HA LEU A 65 0.262 -4.023 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.892 -4.221 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.474 -3.367 2.197 1.00 0.00 H new ATOM 0 HG LEU A 65 2.452 -2.701 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.781 -0.623 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.469 -2.090 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.126 -1.262 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.734 -0.684 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.053 -1.267 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.291 -2.173 4.628 1.00 0.00 H new ATOM 635 N SER A 66 0.130 -6.830 2.830 1.00 0.00 N ATOM 636 CA SER A 66 -0.460 -8.180 2.830 1.00 0.00 C ATOM 637 C SER A 66 -0.240 -8.830 4.200 1.00 0.00 C ATOM 638 O SER A 66 -1.110 -9.540 4.690 1.00 0.00 O ATOM 639 CB SER A 66 0.160 -9.040 1.730 1.00 0.00 C ATOM 640 OG SER A 66 1.520 -9.340 2.050 1.00 0.00 O ATOM 0 H SER A 66 1.035 -6.809 2.360 1.00 0.00 H new ATOM 0 HA SER A 66 -1.529 -8.100 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.407 -9.964 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.110 -8.516 0.776 1.00 0.00 H new ATOM 0 HG SER A 66 1.909 -9.893 1.340 1.00 0.00 H new ATOM 643 N LYS A 67 0.960 -8.650 4.740 1.00 0.00 N ATOM 644 CA LYS A 67 1.260 -8.770 6.180 1.00 0.00 C ATOM 645 C LYS A 67 0.420 -7.700 6.890 1.00 0.00 C ATOM 646 O LYS A 67 0.680 -6.500 6.850 1.00 0.00 O ATOM 647 CB LYS A 67 2.760 -8.590 6.400 1.00 0.00 C ATOM 648 CG LYS A 67 3.330 -8.970 7.760 1.00 0.00 C ATOM 649 CD LYS A 67 2.840 -8.100 8.930 1.00 0.00 C ATOM 650 CE LYS A 67 3.770 -8.170 10.140 1.00 0.00 C ATOM 651 NZ LYS A 67 4.950 -7.340 9.890 1.00 0.00 N ATOM 0 H LYS A 67 1.779 -8.410 4.182 1.00 0.00 H new ATOM 0 HA LYS A 67 1.007 -9.750 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.282 -9.175 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.002 -7.543 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.076 -10.010 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.417 -8.911 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.757 -7.065 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.841 -8.422 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.250 -7.824 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.069 -9.202 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.793 -7.808 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.071 -7.208 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.826 -6.414 10.346 1.00 0.00 H new ATOM 656 N VAL A 68 -0.680 -8.220 7.420 1.00 0.00 N ATOM 657 CA VAL A 68 -1.770 -7.400 7.970 1.00 0.00 C ATOM 658 C VAL A 68 -1.880 -7.430 9.500 1.00 0.00 C ATOM 659 O VAL A 68 -2.420 -8.350 10.110 1.00 0.00 O ATOM 660 CB VAL A 68 -3.090 -7.690 7.270 1.00 0.00 C ATOM 661 CG1 VAL A 68 -3.070 -7.210 5.820 1.00 0.00 C ATOM 662 CG2 VAL A 68 -3.530 -9.150 7.310 1.00 0.00 C ATOM 0 H VAL A 68 -0.849 -9.224 7.484 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.504 -6.366 7.750 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.826 -7.128 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.028 -7.433 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.895 -6.134 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.273 -7.720 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.480 -9.258 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.776 -9.771 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.649 -9.466 8.346 1.00 0.00 H new ATOM 664 N GLY A 69 -1.180 -6.460 10.080 1.00 0.00 N ATOM 665 CA GLY A 69 -1.240 -6.090 11.510 1.00 0.00 C ATOM 666 C GLY A 69 -2.150 -4.870 11.660 1.00 0.00 C ATOM 667 O GLY A 69 -2.300 -4.060 10.750 1.00 0.00 O ATOM 0 H GLY A 69 -0.526 -5.880 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.623 -6.922 12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.241 -5.866 11.885 1.00 0.00 H new ATOM 669 N SER A 70 -2.660 -4.680 12.880 1.00 0.00 N ATOM 670 CA SER A 70 -3.810 -3.790 13.110 1.00 0.00 C ATOM 671 C SER A 70 -3.650 -2.700 14.160 1.00 0.00 C ATOM 672 O SER A 70 -3.030 -2.950 15.200 1.00 0.00 O ATOM 673 CB SER A 70 -5.000 -4.670 13.510 1.00 0.00 C ATOM 674 OG SER A 70 -6.140 -3.820 13.680 1.00 0.00 O ATOM 0 H SER A 70 -2.299 -5.127 13.723 1.00 0.00 H new ATOM 0 HA SER A 70 -3.940 -3.246 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.194 -5.420 12.743 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.784 -5.207 14.434 1.00 0.00 H new ATOM 0 HG SER A 70 -6.662 -3.802 12.851 1.00 0.00 H new ATOM 677 N PRO A 71 -4.170 -1.510 13.880 1.00 0.00 N ATOM 678 CA PRO A 71 -4.510 -0.530 14.930 1.00 0.00 C ATOM 679 C PRO A 71 -5.990 -0.420 15.290 1.00 0.00 C ATOM 680 O PRO A 71 -6.380 0.430 16.090 1.00 0.00 O ATOM 681 CB PRO A 71 -3.970 0.790 14.370 1.00 0.00 C ATOM 682 CG PRO A 71 -4.200 0.650 12.860 1.00 0.00 C ATOM 683 CD PRO A 71 -3.970 -0.840 12.590 1.00 0.00 C ATOM 0 HA PRO A 71 -4.073 -0.835 15.881 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.501 1.649 14.780 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.914 0.926 14.606 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.208 0.956 12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.508 1.271 12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.668 -1.215 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.965 -1.019 12.207 1.00 0.00 H new ATOM 684 N SER A 72 -6.820 -1.320 14.760 1.00 0.00 N ATOM 685 CA SER A 72 -8.270 -1.420 14.950 1.00 0.00 C ATOM 686 C SER A 72 -8.870 -2.610 14.200 1.00 0.00 C ATOM 687 O SER A 72 -9.240 -3.620 14.810 1.00 0.00 O ATOM 688 CB SER A 72 -9.070 -0.180 14.520 1.00 0.00 C ATOM 689 OG SER A 72 -9.190 0.750 15.590 1.00 0.00 O ATOM 0 H SER A 72 -6.472 -2.052 14.141 1.00 0.00 H new ATOM 0 HA SER A 72 -8.362 -1.536 16.030 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.578 0.298 13.673 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.062 -0.482 14.184 1.00 0.00 H new ATOM 0 HG SER A 72 -8.316 0.874 16.015 1.00 0.00 H new ATOM 692 N SER A 73 -8.860 -2.520 12.880 1.00 0.00 N ATOM 693 CA SER A 73 -9.510 -3.480 11.970 1.00 0.00 C ATOM 694 C SER A 73 -8.530 -4.260 11.090 1.00 0.00 C ATOM 695 O SER A 73 -7.320 -4.050 11.160 1.00 0.00 O ATOM 696 CB SER A 73 -10.430 -2.660 11.060 1.00 0.00 C ATOM 697 OG SER A 73 -9.650 -1.630 10.450 1.00 0.00 O ATOM 0 H SER A 73 -8.390 -1.761 12.388 1.00 0.00 H new ATOM 0 HA SER A 73 -10.036 -4.220 12.573 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.879 -3.298 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.248 -2.227 11.636 1.00 0.00 H new ATOM 0 HG SER A 73 -10.216 -0.848 10.281 1.00 0.00 H new ATOM 700 N ARG A 74 -9.090 -5.230 10.370 1.00 0.00 N ATOM 701 CA ARG A 74 -8.340 -5.980 9.350 1.00 0.00 C ATOM 702 C ARG A 74 -8.190 -5.190 8.050 1.00 0.00 C ATOM 703 O ARG A 74 -9.140 -4.600 7.530 1.00 0.00 O ATOM 704 CB ARG A 74 -8.940 -7.370 9.080 1.00 0.00 C ATOM 705 CG ARG A 74 -10.280 -7.440 8.350 1.00 0.00 C ATOM 706 CD ARG A 74 -11.490 -7.640 9.270 1.00 0.00 C ATOM 707 NE ARG A 74 -12.100 -6.370 9.680 1.00 0.00 N ATOM 708 CZ ARG A 74 -12.210 -5.910 10.930 1.00 0.00 C ATOM 709 NH1 ARG A 74 -11.570 -6.480 11.960 1.00 0.00 N ATOM 710 NH2 ARG A 74 -12.930 -4.810 11.170 1.00 0.00 N ATOM 0 H ARG A 74 -10.063 -5.520 10.470 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.343 -6.132 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.214 -7.941 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.054 -7.877 10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.419 -6.521 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.246 -8.258 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.235 -8.249 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.181 -8.194 10.156 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.477 -5.780 8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.975 -7.293 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.678 -6.101 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.393 -4.325 10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.017 -4.455 12.122 1.00 0.00 H new ATOM 717 N ILE A 75 -6.940 -5.120 7.600 1.00 0.00 N ATOM 718 CA ILE A 75 -6.590 -4.590 6.270 1.00 0.00 C ATOM 719 C ILE A 75 -6.970 -5.660 5.250 1.00 0.00 C ATOM 720 O ILE A 75 -6.210 -6.590 4.940 1.00 0.00 O ATOM 721 CB ILE A 75 -5.130 -4.140 6.260 1.00 0.00 C ATOM 722 CG1 ILE A 75 -4.890 -2.920 7.160 1.00 0.00 C ATOM 723 CG2 ILE A 75 -4.590 -3.810 4.870 1.00 0.00 C ATOM 724 CD1 ILE A 75 -4.640 -3.260 8.630 1.00 0.00 C ATOM 0 H ILE A 75 -6.134 -5.428 8.143 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.142 -3.689 6.002 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.591 -5.006 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.034 -2.364 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.754 -2.259 7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.548 -3.499 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.658 -4.693 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.178 -3.002 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.480 -2.341 9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.504 -3.788 9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.757 -3.894 8.712 1.00 0.00 H new ATOM 726 N ASP A 76 -8.240 -5.610 4.870 1.00 0.00 N ATOM 727 CA ASP A 76 -8.900 -6.630 4.040 1.00 0.00 C ATOM 728 C ASP A 76 -8.530 -6.540 2.550 1.00 0.00 C ATOM 729 O ASP A 76 -9.010 -5.680 1.820 1.00 0.00 O ATOM 730 CB ASP A 76 -10.410 -6.690 4.250 1.00 0.00 C ATOM 731 CG ASP A 76 -11.220 -5.440 3.890 1.00 0.00 C ATOM 732 OD1 ASP A 76 -10.650 -4.340 3.990 1.00 0.00 O ATOM 733 OD2 ASP A 76 -12.440 -5.610 3.660 1.00 0.00 O ATOM 0 H ASP A 76 -8.861 -4.845 5.132 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.500 -7.579 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.799 -7.524 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.596 -6.922 5.299 1.00 0.00 H new ATOM 735 N ARG A 77 -7.480 -7.300 2.270 1.00 0.00 N ATOM 736 CA ARG A 77 -6.940 -7.580 0.930 1.00 0.00 C ATOM 737 C ARG A 77 -6.300 -6.360 0.250 1.00 0.00 C ATOM 738 O ARG A 77 -6.970 -5.480 -0.290 1.00 0.00 O ATOM 739 CB ARG A 77 -7.930 -8.290 0.010 1.00 0.00 C ATOM 740 CG ARG A 77 -7.390 -8.690 -1.360 1.00 0.00 C ATOM 741 CD ARG A 77 -6.350 -9.820 -1.380 1.00 0.00 C ATOM 742 NE ARG A 77 -5.010 -9.390 -0.960 1.00 0.00 N ATOM 743 CZ ARG A 77 -4.370 -9.730 0.170 1.00 0.00 C ATOM 744 NH1 ARG A 77 -4.900 -10.570 1.070 1.00 0.00 N ATOM 745 NH2 ARG A 77 -3.210 -9.140 0.480 1.00 0.00 N ATOM 0 H ARG A 77 -6.948 -7.766 3.005 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.128 -8.284 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.288 -9.187 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.793 -7.640 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.231 -8.989 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.946 -7.809 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.686 -10.624 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.292 -10.232 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.512 -8.766 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.822 -10.976 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.382 -10.804 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.815 -8.434 -0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.721 -9.396 1.338 1.00 0.00 H new ATOM 752 N THR A 78 -4.980 -6.490 0.100 1.00 0.00 N ATOM 753 CA THR A 78 -4.150 -5.490 -0.570 1.00 0.00 C ATOM 754 C THR A 78 -3.500 -6.090 -1.820 1.00 0.00 C ATOM 755 O THR A 78 -2.820 -7.110 -1.790 1.00 0.00 O ATOM 756 CB THR A 78 -3.080 -4.910 0.360 1.00 0.00 C ATOM 757 OG1 THR A 78 -3.740 -4.490 1.560 1.00 0.00 O ATOM 758 CG2 THR A 78 -2.370 -3.710 -0.260 1.00 0.00 C ATOM 0 H THR A 78 -4.456 -7.296 0.442 1.00 0.00 H new ATOM 0 HA THR A 78 -4.804 -4.669 -0.863 1.00 0.00 H new ATOM 0 HB THR A 78 -2.325 -5.673 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.182 -4.712 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.620 -3.332 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.885 -4.014 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.097 -2.926 -0.471 1.00 0.00 H new ATOM 761 N ASN A 79 -3.900 -5.480 -2.940 1.00 0.00 N ATOM 762 CA ASN A 79 -3.390 -5.760 -4.290 1.00 0.00 C ATOM 763 C ASN A 79 -2.400 -4.660 -4.690 1.00 0.00 C ATOM 764 O ASN A 79 -2.650 -3.470 -4.480 1.00 0.00 O ATOM 765 CB ASN A 79 -4.580 -5.810 -5.250 1.00 0.00 C ATOM 766 CG ASN A 79 -4.170 -6.130 -6.690 1.00 0.00 C ATOM 767 OD1 ASN A 79 -3.820 -5.260 -7.480 1.00 0.00 O ATOM 768 ND2 ASN A 79 -4.150 -7.410 -7.040 1.00 0.00 N ATOM 0 H ASN A 79 -4.613 -4.751 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.867 -6.716 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.289 -6.562 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.098 -4.851 -5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.841 -7.678 -7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.443 -8.125 -6.375 1.00 0.00 H new ATOM 772 N PHE A 80 -1.340 -5.110 -5.350 1.00 0.00 N ATOM 773 CA PHE A 80 -0.230 -4.250 -5.800 1.00 0.00 C ATOM 774 C PHE A 80 -0.170 -4.250 -7.330 1.00 0.00 C ATOM 775 O PHE A 80 0.230 -5.230 -7.950 1.00 0.00 O ATOM 776 CB PHE A 80 1.090 -4.750 -5.210 1.00 0.00 C ATOM 777 CG PHE A 80 1.090 -4.890 -3.690 1.00 0.00 C ATOM 778 CD1 PHE A 80 1.360 -3.780 -2.890 1.00 0.00 C ATOM 779 CD2 PHE A 80 0.870 -6.140 -3.120 1.00 0.00 C ATOM 780 CE1 PHE A 80 1.410 -3.930 -1.510 1.00 0.00 C ATOM 781 CE2 PHE A 80 0.920 -6.290 -1.740 1.00 0.00 C ATOM 782 CZ PHE A 80 1.190 -5.180 -0.950 1.00 0.00 C ATOM 0 H PHE A 80 -1.217 -6.092 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.397 -3.230 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.327 -5.718 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.886 -4.064 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.529 -2.813 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.661 -6.992 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.619 -3.080 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.751 -7.256 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.230 -5.292 0.123 1.00 0.00 H new ATOM 784 N SER A 81 -0.740 -3.190 -7.900 1.00 0.00 N ATOM 785 CA SER A 81 -0.790 -2.980 -9.350 1.00 0.00 C ATOM 786 C SER A 81 -0.490 -1.520 -9.690 1.00 0.00 C ATOM 787 O SER A 81 -0.880 -0.620 -8.950 1.00 0.00 O ATOM 788 CB SER A 81 -2.110 -3.410 -9.990 1.00 0.00 C ATOM 789 OG SER A 81 -3.180 -2.550 -9.590 1.00 0.00 O ATOM 0 H SER A 81 -1.185 -2.444 -7.365 1.00 0.00 H new ATOM 0 HA SER A 81 -0.020 -3.625 -9.773 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.013 -3.395 -11.076 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.339 -4.437 -9.705 1.00 0.00 H new ATOM 0 HG SER A 81 -4.013 -2.845 -10.014 1.00 0.00 H new ATOM 792 N ASN A 82 -0.040 -1.320 -10.930 1.00 0.00 N ATOM 793 CA ASN A 82 0.600 -0.090 -11.420 1.00 0.00 C ATOM 794 C ASN A 82 1.980 0.090 -10.790 1.00 0.00 C ATOM 795 O ASN A 82 2.130 0.500 -9.640 1.00 0.00 O ATOM 796 CB ASN A 82 -0.240 1.170 -11.230 1.00 0.00 C ATOM 797 CG ASN A 82 -1.540 1.120 -12.040 1.00 0.00 C ATOM 798 OD1 ASN A 82 -1.590 1.510 -13.210 1.00 0.00 O ATOM 799 ND2 ASN A 82 -2.600 0.560 -11.470 1.00 0.00 N ATOM 0 H ASN A 82 -0.113 -2.037 -11.652 1.00 0.00 H new ATOM 0 HA ASN A 82 0.702 -0.222 -12.497 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.476 1.293 -10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.341 2.042 -11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.465 0.449 -11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.550 0.241 -10.503 1.00 0.00 H new ATOM 803 N GLU A 83 2.950 -0.470 -11.500 1.00 0.00 N ATOM 804 CA GLU A 83 4.380 -0.460 -11.120 1.00 0.00 C ATOM 805 C GLU A 83 5.210 0.270 -12.170 1.00 0.00 C ATOM 806 O GLU A 83 5.270 -0.140 -13.330 1.00 0.00 O ATOM 807 CB GLU A 83 4.900 -1.890 -10.980 1.00 0.00 C ATOM 808 CG GLU A 83 4.470 -2.630 -9.710 1.00 0.00 C ATOM 809 CD GLU A 83 2.970 -2.950 -9.660 1.00 0.00 C ATOM 810 OE1 GLU A 83 2.480 -3.600 -10.610 1.00 0.00 O ATOM 811 OE2 GLU A 83 2.340 -2.500 -8.680 1.00 0.00 O ATOM 0 H GLU A 83 2.774 -0.958 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 83 4.471 0.058 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.567 -2.465 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.989 -1.866 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.034 -3.560 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.733 -2.026 -8.842 1.00 0.00 H new ATOM 813 N LYS A 84 5.730 1.430 -11.760 1.00 0.00 N ATOM 814 CA LYS A 84 6.530 2.320 -12.600 1.00 0.00 C ATOM 815 C LYS A 84 7.760 2.910 -11.890 1.00 0.00 C ATOM 816 O LYS A 84 7.660 3.660 -10.920 1.00 0.00 O ATOM 817 CB LYS A 84 5.670 3.420 -13.230 1.00 0.00 C ATOM 818 CG LYS A 84 4.750 4.160 -12.240 1.00 0.00 C ATOM 819 CD LYS A 84 3.910 5.220 -12.950 1.00 0.00 C ATOM 820 CE LYS A 84 2.800 5.760 -12.040 1.00 0.00 C ATOM 821 NZ LYS A 84 1.770 4.730 -11.820 1.00 0.00 N ATOM 0 H LYS A 84 5.602 1.783 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 84 6.924 1.691 -13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.326 4.147 -13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.057 2.979 -14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.094 3.444 -11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.352 4.630 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.552 6.041 -13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.468 4.793 -13.850 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.223 6.070 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.349 6.644 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.860 5.063 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.046 3.853 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.676 4.545 -10.801 1.00 0.00 H new ATOM 826 N THR A 85 8.920 2.440 -12.340 1.00 0.00 N ATOM 827 CA THR A 85 10.230 2.940 -11.920 1.00 0.00 C ATOM 828 C THR A 85 10.510 4.360 -12.410 1.00 0.00 C ATOM 829 O THR A 85 10.520 4.640 -13.610 1.00 0.00 O ATOM 830 CB THR A 85 11.370 2.020 -12.390 1.00 0.00 C ATOM 831 OG1 THR A 85 11.030 1.480 -13.670 1.00 0.00 O ATOM 832 CG2 THR A 85 11.720 0.950 -11.360 1.00 0.00 C ATOM 0 H THR A 85 8.979 1.684 -13.022 1.00 0.00 H new ATOM 0 HA THR A 85 10.195 2.952 -10.831 1.00 0.00 H new ATOM 0 HB THR A 85 12.283 2.606 -12.494 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.848 1.315 -14.183 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.530 0.328 -11.742 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.035 1.427 -10.432 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.845 0.329 -11.169 1.00 0.00 H new ATOM 835 N ILE A 86 10.790 5.200 -11.420 1.00 0.00 N ATOM 836 CA ILE A 86 11.040 6.640 -11.560 1.00 0.00 C ATOM 837 C ILE A 86 12.380 7.030 -10.920 1.00 0.00 C ATOM 838 O ILE A 86 13.220 6.180 -10.650 1.00 0.00 O ATOM 839 CB ILE A 86 9.880 7.460 -10.980 1.00 0.00 C ATOM 840 CG1 ILE A 86 9.680 7.230 -9.480 1.00 0.00 C ATOM 841 CG2 ILE A 86 8.590 7.220 -11.760 1.00 0.00 C ATOM 842 CD1 ILE A 86 9.180 8.490 -8.780 1.00 0.00 C ATOM 0 H ILE A 86 10.853 4.887 -10.451 1.00 0.00 H new ATOM 0 HA ILE A 86 11.104 6.870 -12.624 1.00 0.00 H new ATOM 0 HB ILE A 86 10.154 8.509 -11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.966 6.421 -9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.621 6.913 -9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.786 7.814 -11.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.735 7.511 -12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.327 6.163 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.050 8.288 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.907 9.292 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.226 8.792 -9.212 1.00 0.00 H new ATOM 844 N SER A 87 12.540 8.310 -10.610 1.00 0.00 N ATOM 845 CA SER A 87 13.740 8.840 -9.940 1.00 0.00 C ATOM 846 C SER A 87 13.330 9.740 -8.770 1.00 0.00 C ATOM 847 O SER A 87 12.340 10.470 -8.880 1.00 0.00 O ATOM 848 CB SER A 87 14.580 9.650 -10.930 1.00 0.00 C ATOM 849 OG SER A 87 15.930 9.670 -10.470 1.00 0.00 O ATOM 0 H SER A 87 11.840 9.023 -10.815 1.00 0.00 H new ATOM 0 HA SER A 87 14.330 8.003 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.525 9.207 -11.924 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.193 10.666 -11.012 1.00 0.00 H new ATOM 0 HG SER A 87 15.953 9.459 -9.513 1.00 0.00 H new ATOM 852 N LYS A 88 14.110 9.680 -7.700 1.00 0.00 N ATOM 853 CA LYS A 88 13.910 10.430 -6.450 1.00 0.00 C ATOM 854 C LYS A 88 12.590 10.200 -5.710 1.00 0.00 C ATOM 855 O LYS A 88 11.600 9.700 -6.250 1.00 0.00 O ATOM 856 CB LYS A 88 14.160 11.930 -6.630 1.00 0.00 C ATOM 857 CG LYS A 88 15.630 12.310 -6.430 1.00 0.00 C ATOM 858 CD LYS A 88 16.570 11.930 -7.580 1.00 0.00 C ATOM 859 CE LYS A 88 16.420 12.870 -8.780 1.00 0.00 C ATOM 860 NZ LYS A 88 17.340 12.430 -9.840 1.00 0.00 N ATOM 0 H LYS A 88 14.937 9.084 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 88 14.670 9.999 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.844 12.230 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.545 12.485 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.691 13.387 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.990 11.835 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.601 11.954 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.364 10.907 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.392 12.859 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.644 13.896 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.324 13.117 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.305 12.364 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.043 11.498 -10.193 1.00 0.00 H new ATOM 865 N LEU A 89 12.620 10.490 -4.410 1.00 0.00 N ATOM 866 CA LEU A 89 11.480 10.310 -3.510 1.00 0.00 C ATOM 867 C LEU A 89 10.720 11.630 -3.320 1.00 0.00 C ATOM 868 O LEU A 89 11.020 12.430 -2.430 1.00 0.00 O ATOM 869 CB LEU A 89 11.950 9.740 -2.170 1.00 0.00 C ATOM 870 CG LEU A 89 12.570 8.350 -2.290 1.00 0.00 C ATOM 871 CD1 LEU A 89 13.310 7.980 -1.000 1.00 0.00 C ATOM 872 CD2 LEU A 89 11.510 7.290 -2.600 1.00 0.00 C ATOM 0 H LEU A 89 13.448 10.862 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 89 10.789 9.597 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.680 10.419 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.103 9.695 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 89 13.279 8.377 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.746 6.986 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.102 8.706 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.610 7.984 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.985 6.312 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.770 7.270 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.019 7.532 -3.542 1.00 0.00 H new ATOM 874 N GLU A 90 9.710 11.820 -4.150 1.00 0.00 N ATOM 875 CA GLU A 90 9.000 13.100 -4.300 1.00 0.00 C ATOM 876 C GLU A 90 7.890 13.420 -3.290 1.00 0.00 C ATOM 877 O GLU A 90 6.950 14.150 -3.600 1.00 0.00 O ATOM 878 CB GLU A 90 8.500 13.240 -5.740 1.00 0.00 C ATOM 879 CG GLU A 90 9.650 13.450 -6.730 1.00 0.00 C ATOM 880 CD GLU A 90 9.120 13.680 -8.140 1.00 0.00 C ATOM 881 OE1 GLU A 90 8.890 12.670 -8.840 1.00 0.00 O ATOM 882 OE2 GLU A 90 8.940 14.870 -8.490 1.00 0.00 O ATOM 0 H GLU A 90 9.346 11.083 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 90 9.750 13.854 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.941 12.346 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.809 14.081 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.251 14.305 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.306 12.579 -6.721 1.00 0.00 H new ATOM 884 N TYR A 91 8.090 12.980 -2.050 1.00 0.00 N ATOM 885 CA TYR A 91 7.150 13.200 -0.940 1.00 0.00 C ATOM 886 C TYR A 91 7.850 13.140 0.420 1.00 0.00 C ATOM 887 O TYR A 91 8.850 12.440 0.600 1.00 0.00 O ATOM 888 CB TYR A 91 6.010 12.180 -0.910 1.00 0.00 C ATOM 889 CG TYR A 91 5.010 12.310 -2.050 1.00 0.00 C ATOM 890 CD1 TYR A 91 4.060 13.330 -1.990 1.00 0.00 C ATOM 891 CD2 TYR A 91 5.060 11.410 -3.100 1.00 0.00 C ATOM 892 CE1 TYR A 91 3.140 13.450 -3.020 1.00 0.00 C ATOM 893 CE2 TYR A 91 4.130 11.530 -4.140 1.00 0.00 C ATOM 894 CZ TYR A 91 3.180 12.540 -4.070 1.00 0.00 C ATOM 895 OH TYR A 91 2.170 12.540 -4.970 1.00 0.00 O ATOM 0 H TYR A 91 8.920 12.453 -1.778 1.00 0.00 H new ATOM 0 HA TYR A 91 6.742 14.195 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.437 11.177 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.477 12.279 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.042 14.015 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.804 10.628 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.403 14.239 -3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.151 10.851 -4.979 1.00 0.00 H new ATOM 0 HH TYR A 91 2.176 11.696 -5.468 1.00 0.00 H new ATOM 898 N SER A 92 7.290 13.890 1.360 1.00 0.00 N ATOM 899 CA SER A 92 7.690 13.890 2.770 1.00 0.00 C ATOM 900 C SER A 92 7.130 12.680 3.520 1.00 0.00 C ATOM 901 O SER A 92 6.010 12.690 4.020 1.00 0.00 O ATOM 902 CB SER A 92 7.250 15.220 3.400 1.00 0.00 C ATOM 903 OG SER A 92 5.910 15.520 3.010 1.00 0.00 O ATOM 0 H SER A 92 6.524 14.534 1.162 1.00 0.00 H new ATOM 0 HA SER A 92 8.774 13.802 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.317 15.158 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.918 16.021 3.084 1.00 0.00 H new ATOM 0 HG SER A 92 5.339 14.741 3.176 1.00 0.00 H new ATOM 906 N ASN A 93 7.910 11.600 3.410 1.00 0.00 N ATOM 907 CA ASN A 93 7.620 10.270 3.950 1.00 0.00 C ATOM 908 C ASN A 93 6.330 9.640 3.410 1.00 0.00 C ATOM 909 O ASN A 93 5.820 10.080 2.390 1.00 0.00 O ATOM 910 CB ASN A 93 7.680 10.250 5.480 1.00 0.00 C ATOM 911 CG ASN A 93 9.120 10.060 5.970 1.00 0.00 C ATOM 912 OD1 ASN A 93 10.030 10.810 5.640 1.00 0.00 O ATOM 913 ND2 ASN A 93 9.360 9.010 6.750 1.00 0.00 N ATOM 0 H ASN A 93 8.803 11.632 2.918 1.00 0.00 H new ATOM 0 HA ASN A 93 8.420 9.628 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.277 11.182 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.053 9.444 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.308 8.824 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.596 8.390 7.020 1.00 0.00 H new ATOM 917 N PHE A 94 6.090 8.400 3.840 1.00 0.00 N ATOM 918 CA PHE A 94 4.770 7.790 3.700 1.00 0.00 C ATOM 919 C PHE A 94 3.850 8.330 4.800 1.00 0.00 C ATOM 920 O PHE A 94 4.090 8.180 6.000 1.00 0.00 O ATOM 921 CB PHE A 94 4.860 6.260 3.730 1.00 0.00 C ATOM 922 CG PHE A 94 3.610 5.600 3.150 1.00 0.00 C ATOM 923 CD1 PHE A 94 2.480 5.420 3.950 1.00 0.00 C ATOM 924 CD2 PHE A 94 3.600 5.220 1.810 1.00 0.00 C ATOM 925 CE1 PHE A 94 1.330 4.870 3.400 1.00 0.00 C ATOM 926 CE2 PHE A 94 2.450 4.670 1.260 1.00 0.00 C ATOM 927 CZ PHE A 94 1.320 4.510 2.060 1.00 0.00 C ATOM 0 H PHE A 94 6.788 7.804 4.285 1.00 0.00 H new ATOM 0 HA PHE A 94 4.349 8.055 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.735 5.937 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.003 5.926 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.500 5.707 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.483 5.353 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.451 4.724 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 94 2.431 4.369 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.420 4.098 1.629 1.00 0.00 H new ATOM 929 N SER A 95 2.880 9.090 4.300 1.00 0.00 N ATOM 930 CA SER A 95 2.060 10.030 5.080 1.00 0.00 C ATOM 931 C SER A 95 0.610 9.600 5.290 1.00 0.00 C ATOM 932 O SER A 95 0.300 8.410 5.410 1.00 0.00 O ATOM 933 CB SER A 95 2.180 11.340 4.290 1.00 0.00 C ATOM 934 OG SER A 95 1.490 11.050 3.060 1.00 0.00 O ATOM 0 H SER A 95 2.630 9.073 3.311 1.00 0.00 H new ATOM 0 HA SER A 95 2.416 10.106 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.721 12.174 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.221 11.609 4.113 1.00 0.00 H new ATOM 0 HG SER A 95 2.118 10.658 2.417 1.00 0.00 H new ATOM 937 N VAL A 96 -0.300 10.560 5.190 1.00 0.00 N ATOM 938 CA VAL A 96 -1.700 10.490 5.650 1.00 0.00 C ATOM 939 C VAL A 96 -2.680 10.300 4.490 1.00 0.00 C ATOM 940 O VAL A 96 -2.280 10.020 3.360 1.00 0.00 O ATOM 941 CB VAL A 96 -2.030 11.730 6.480 1.00 0.00 C ATOM 942 CG1 VAL A 96 -1.230 11.750 7.790 1.00 0.00 C ATOM 943 CG2 VAL A 96 -1.860 13.060 5.740 1.00 0.00 C ATOM 0 H VAL A 96 -0.080 11.461 4.765 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.811 9.609 6.282 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.095 11.642 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.486 12.644 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.472 10.864 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.164 11.756 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.116 13.883 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.825 13.166 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.517 13.079 4.871 1.00 0.00 H new ATOM 945 N ARG A 97 -3.970 10.420 4.810 1.00 0.00 N ATOM 946 CA ARG A 97 -5.060 10.380 3.820 1.00 0.00 C ATOM 947 C ARG A 97 -5.210 11.680 3.020 1.00 0.00 C ATOM 948 O ARG A 97 -5.150 12.780 3.560 1.00 0.00 O ATOM 949 CB ARG A 97 -6.390 9.980 4.470 1.00 0.00 C ATOM 950 CG ARG A 97 -6.910 11.000 5.490 1.00 0.00 C ATOM 951 CD ARG A 97 -8.370 10.710 5.850 1.00 0.00 C ATOM 952 NE ARG A 97 -8.800 11.670 6.880 1.00 0.00 N ATOM 953 CZ ARG A 97 -9.550 11.380 7.950 1.00 0.00 C ATOM 954 NH1 ARG A 97 -10.050 10.160 8.180 1.00 0.00 N ATOM 955 NH2 ARG A 97 -9.730 12.310 8.900 1.00 0.00 N ATOM 0 H ARG A 97 -4.295 10.549 5.768 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.778 9.611 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.139 9.845 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.267 9.016 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.295 10.968 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.824 12.007 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.002 10.796 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.473 9.689 6.218 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.501 12.639 6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.865 9.401 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.616 9.989 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.297 13.228 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.300 12.099 9.719 1.00 0.00 H new ATOM 962 N TYR A 98 -5.180 11.480 1.710 1.00 0.00 N ATOM 963 CA TYR A 98 -5.360 12.530 0.690 1.00 0.00 C ATOM 964 C TYR A 98 -6.610 12.260 -0.150 1.00 0.00 C ATOM 965 O TYR A 98 -7.350 13.230 -0.410 1.00 0.00 O ATOM 966 CB TYR A 98 -4.150 12.600 -0.250 1.00 0.00 C ATOM 967 CG TYR A 98 -2.780 13.000 0.320 1.00 0.00 C ATOM 968 CD1 TYR A 98 -2.450 12.760 1.640 1.00 0.00 C ATOM 969 CD2 TYR A 98 -1.820 13.420 -0.600 1.00 0.00 C ATOM 970 CE1 TYR A 98 -1.130 12.900 2.060 1.00 0.00 C ATOM 971 CE2 TYR A 98 -0.500 13.560 -0.190 1.00 0.00 C ATOM 972 CZ TYR A 98 -0.170 13.280 1.130 1.00 0.00 C ATOM 973 OH TYR A 98 1.130 13.220 1.500 1.00 0.00 O ATOM 974 OXT TYR A 98 -6.800 11.090 -0.550 1.00 0.00 O ATOM 0 H TYR A 98 -5.025 10.557 1.304 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.466 13.477 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.039 11.620 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.393 13.305 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.214 12.465 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.100 13.634 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.857 12.717 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.259 13.882 -0.888 1.00 0.00 H new ATOM 0 HH TYR A 98 1.237 12.557 2.214 1.00 0.00 H new TER 977 TYR A 98