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 92 SER OG : rot 180:sc= 0.414 USER MOD Set 1.2: A 93 ASN : amide:sc= 0.329 K(o=0.74,f=-0.057) USER MOD Set 2.1: A 81 SER OG : rot 169:sc= 1.35 USER MOD Set 2.2: A 82 ASN : amide:sc= 0 X(o=1.4,f=1.4) USER MOD Set 3.1: A 50 GLN : amide:sc= -0.296 X(o=-0.2,f=-0.25!) USER MOD Set 3.2: A 91 TYR OH : rot -173:sc= 0.0964 USER MOD Set 4.1: A 40 LYS NZ :NH3+ -145:sc= 0.64 (180deg=0.184) USER MOD Set 4.2: A 48 THR OG1 : rot 56:sc= 0.358 USER MOD Set 5.1: A 42 THR OG1 : rot -134:sc= 1.05 USER MOD Set 5.2: A 46 THR OG1 : rot 52:sc= 0.137 USER MOD Set 6.1: A 7 LYS NZ :NH3+ -179:sc= -1.97! (180deg=-1.79!) USER MOD Set 6.2: A 59 ASN : amide:sc= -0.259 K(o=-2.6,f=-4.3) USER MOD Set 6.3: A 62 LYS NZ :NH3+ 152:sc= -0.363 (180deg=0) USER MOD Set 7.1: A 1 SER OG : rot -110:sc= 0.742 USER MOD Set 7.2: A 2 THR OG1 : rot 42:sc= 0.787 USER MOD Set 7.3: A 85 THR OG1 : rot -146:sc= 1.86 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 56:sc= 0.705 USER MOD Single : A 18 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 21 CYS SG : rot 170:sc=-0.00551 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 171:sc= 0.801 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.886 K(o=-0.89,f=-4.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.134! C(o=-0.13!,f=-8.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 96:sc= 0.225 USER MOD Single : A 61 MET CE :methyl -171:sc= -1.28 (180deg=-1.41) USER MOD Single : A 63 SER OG : rot -28:sc= 0.0405 USER MOD Single : A 66 SER OG : rot -118:sc= 0.0999 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -75:sc= 0.785 USER MOD Single : A 78 THR OG1 : rot 138:sc= -1.64! USER MOD Single : A 79 ASN : amide:sc= -0.774 X(o=-0.77,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0.195 (180deg=0.195) USER MOD Single : A 87 SER OG : rot 46:sc= 0.0325 USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0224) USER MOD Single : A 95 SER OG : rot 180:sc= -0.749 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.170 -4.070 -15.300 1.00 0.00 N ATOM 2 CA SER A 1 8.780 -2.880 -14.690 1.00 0.00 C ATOM 3 C SER A 1 9.890 -2.210 -15.510 1.00 0.00 C ATOM 4 O SER A 1 10.880 -2.820 -15.890 1.00 0.00 O ATOM 5 CB SER A 1 9.330 -3.180 -13.290 1.00 0.00 C ATOM 6 OG SER A 1 9.940 -2.010 -12.750 1.00 0.00 O ATOM 0 H1 SER A 1 7.434 -4.446 -14.668 1.00 0.00 H new ATOM 0 H2 SER A 1 7.744 -3.812 -16.213 1.00 0.00 H new ATOM 0 H3 SER A 1 8.900 -4.795 -15.451 1.00 0.00 H new ATOM 0 HA SER A 1 7.951 -2.174 -14.644 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.524 -3.516 -12.637 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.057 -3.990 -13.341 1.00 0.00 H new ATOM 0 HG SER A 1 10.911 -2.136 -12.710 1.00 0.00 H new ATOM 11 N THR A 2 9.770 -0.880 -15.530 1.00 0.00 N ATOM 12 CA THR A 2 10.710 0.080 -16.110 1.00 0.00 C ATOM 13 C THR A 2 11.990 0.330 -15.300 1.00 0.00 C ATOM 14 O THR A 2 12.430 1.460 -15.120 1.00 0.00 O ATOM 15 CB THR A 2 9.950 1.380 -16.390 1.00 0.00 C ATOM 16 OG1 THR A 2 8.930 1.590 -15.410 1.00 0.00 O ATOM 17 CG2 THR A 2 9.340 1.380 -17.790 1.00 0.00 C ATOM 0 H THR A 2 8.962 -0.416 -15.115 1.00 0.00 H new ATOM 0 HA THR A 2 11.089 -0.362 -17.031 1.00 0.00 H new ATOM 0 HB THR A 2 10.668 2.198 -16.333 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.277 1.362 -14.522 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.808 2.317 -17.955 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.132 1.277 -18.532 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.644 0.546 -17.884 1.00 0.00 H new ATOM 20 N ALA A 3 12.580 -0.780 -14.870 1.00 0.00 N ATOM 21 CA ALA A 3 13.900 -0.960 -14.230 1.00 0.00 C ATOM 22 C ALA A 3 14.280 -0.180 -12.970 1.00 0.00 C ATOM 23 O ALA A 3 14.660 -0.780 -11.960 1.00 0.00 O ATOM 24 CB ALA A 3 15.000 -0.840 -15.280 1.00 0.00 C ATOM 0 H ALA A 3 12.104 -1.677 -14.967 1.00 0.00 H new ATOM 0 HA ALA A 3 13.792 -1.960 -13.811 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.972 -0.973 -14.805 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.860 -1.606 -16.042 1.00 0.00 H new ATOM 0 HB3 ALA A 3 14.955 0.145 -15.744 1.00 0.00 H new ATOM 26 N ARG A 4 14.120 1.130 -13.030 1.00 0.00 N ATOM 27 CA ARG A 4 14.650 2.150 -12.100 1.00 0.00 C ATOM 28 C ARG A 4 14.500 1.840 -10.610 1.00 0.00 C ATOM 29 O ARG A 4 13.380 1.680 -10.130 1.00 0.00 O ATOM 30 CB ARG A 4 14.040 3.500 -12.480 1.00 0.00 C ATOM 31 CG ARG A 4 14.490 3.970 -13.870 1.00 0.00 C ATOM 32 CD ARG A 4 13.970 5.360 -14.220 1.00 0.00 C ATOM 33 NE ARG A 4 12.500 5.390 -14.310 1.00 0.00 N ATOM 34 CZ ARG A 4 11.720 6.480 -14.310 1.00 0.00 C ATOM 35 NH1 ARG A 4 12.180 7.700 -14.030 1.00 0.00 N ATOM 36 NH2 ARG A 4 10.400 6.330 -14.440 1.00 0.00 N ATOM 0 H ARG A 4 13.577 1.556 -13.782 1.00 0.00 H new ATOM 0 HA ARG A 4 15.733 2.162 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.953 3.424 -12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.322 4.246 -11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 4 15.579 3.973 -13.913 1.00 0.00 H new ATOM 0 HG3 ARG A 4 14.144 3.258 -14.619 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.302 6.073 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.398 5.679 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 4 12.027 4.489 -14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 4 13.165 7.834 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.546 8.499 -14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.000 5.397 -14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.791 7.149 -14.442 1.00 0.00 H new ATOM 43 N PRO A 5 15.600 1.920 -9.860 1.00 0.00 N ATOM 44 CA PRO A 5 15.770 1.310 -8.540 1.00 0.00 C ATOM 45 C PRO A 5 14.720 1.570 -7.450 1.00 0.00 C ATOM 46 O PRO A 5 14.540 0.730 -6.570 1.00 0.00 O ATOM 47 CB PRO A 5 17.140 1.770 -8.040 1.00 0.00 C ATOM 48 CG PRO A 5 17.910 2.050 -9.330 1.00 0.00 C ATOM 49 CD PRO A 5 16.820 2.650 -10.230 1.00 0.00 C ATOM 0 HA PRO A 5 15.654 0.239 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.062 2.661 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.627 1.002 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 5 18.735 2.744 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 5 18.336 1.142 -9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.709 3.721 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.058 2.517 -11.285 1.00 0.00 H new ATOM 50 N LEU A 6 14.090 2.740 -7.460 1.00 0.00 N ATOM 51 CA LEU A 6 13.140 3.120 -6.410 1.00 0.00 C ATOM 52 C LEU A 6 11.700 2.980 -6.890 1.00 0.00 C ATOM 53 O LEU A 6 11.260 3.580 -7.870 1.00 0.00 O ATOM 54 CB LEU A 6 13.400 4.530 -5.870 1.00 0.00 C ATOM 55 CG LEU A 6 14.540 4.670 -4.870 1.00 0.00 C ATOM 56 CD1 LEU A 6 14.310 3.830 -3.610 1.00 0.00 C ATOM 57 CD2 LEU A 6 15.930 4.430 -5.480 1.00 0.00 C ATOM 0 H LEU A 6 14.218 3.447 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 6 13.295 2.427 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.603 5.188 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.485 4.890 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 6 14.532 5.717 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.149 3.962 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 6 13.390 4.151 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.227 2.778 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.691 4.547 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.979 3.420 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.107 5.152 -6.277 1.00 0.00 H new ATOM 59 N LYS A 7 11.000 2.080 -6.210 1.00 0.00 N ATOM 60 CA LYS A 7 9.620 1.710 -6.570 1.00 0.00 C ATOM 61 C LYS A 7 8.600 2.670 -5.950 1.00 0.00 C ATOM 62 O LYS A 7 8.640 2.930 -4.750 1.00 0.00 O ATOM 63 CB LYS A 7 9.380 0.280 -6.100 1.00 0.00 C ATOM 64 CG LYS A 7 8.130 -0.350 -6.700 1.00 0.00 C ATOM 65 CD LYS A 7 8.030 -1.800 -6.210 1.00 0.00 C ATOM 66 CE LYS A 7 6.850 -2.510 -6.860 1.00 0.00 C ATOM 67 NZ LYS A 7 6.790 -3.890 -6.360 1.00 0.00 N ATOM 0 H LYS A 7 11.363 1.583 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 7 9.492 1.778 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.246 -0.330 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.297 0.271 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.244 0.211 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.177 -0.321 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.953 -2.332 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.917 -1.815 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.922 -1.986 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.959 -2.507 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.997 -4.389 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.680 -4.380 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.651 -3.880 -5.329 1.00 0.00 H new ATOM 72 N SER A 8 7.820 3.290 -6.820 1.00 0.00 N ATOM 73 CA SER A 8 6.640 4.090 -6.430 1.00 0.00 C ATOM 74 C SER A 8 5.380 3.320 -6.820 1.00 0.00 C ATOM 75 O SER A 8 4.970 3.230 -7.970 1.00 0.00 O ATOM 76 CB SER A 8 6.610 5.480 -7.070 1.00 0.00 C ATOM 77 OG SER A 8 5.600 6.260 -6.420 1.00 0.00 O ATOM 0 H SER A 8 7.978 3.260 -7.827 1.00 0.00 H new ATOM 0 HA SER A 8 6.693 4.248 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.582 5.963 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.399 5.401 -8.137 1.00 0.00 H new ATOM 0 HG SER A 8 5.570 7.155 -6.819 1.00 0.00 H new ATOM 80 N VAL A 9 4.910 2.570 -5.830 1.00 0.00 N ATOM 81 CA VAL A 9 3.740 1.690 -5.970 1.00 0.00 C ATOM 82 C VAL A 9 2.460 2.340 -5.430 1.00 0.00 C ATOM 83 O VAL A 9 2.320 2.640 -4.240 1.00 0.00 O ATOM 84 CB VAL A 9 4.010 0.270 -5.480 1.00 0.00 C ATOM 85 CG1 VAL A 9 4.420 0.180 -4.000 1.00 0.00 C ATOM 86 CG2 VAL A 9 2.840 -0.660 -5.780 1.00 0.00 C ATOM 0 H VAL A 9 5.327 2.550 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 9 3.549 1.563 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 9 4.878 -0.065 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.593 -0.863 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.334 0.752 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.624 0.587 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.069 -1.662 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.944 -0.289 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.669 -0.695 -6.856 1.00 0.00 H new ATOM 88 N ASP A 10 1.630 2.710 -6.400 1.00 0.00 N ATOM 89 CA ASP A 10 0.270 3.210 -6.170 1.00 0.00 C ATOM 90 C ASP A 10 -0.710 2.040 -6.060 1.00 0.00 C ATOM 91 O ASP A 10 -1.010 1.350 -7.040 1.00 0.00 O ATOM 92 CB ASP A 10 -0.170 4.200 -7.250 1.00 0.00 C ATOM 93 CG ASP A 10 0.510 5.560 -7.080 1.00 0.00 C ATOM 94 OD1 ASP A 10 0.020 6.310 -6.210 1.00 0.00 O ATOM 95 OD2 ASP A 10 1.430 5.870 -7.860 1.00 0.00 O ATOM 0 H ASP A 10 1.884 2.672 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 10 0.271 3.756 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.067 3.795 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.252 4.326 -7.209 1.00 0.00 H new ATOM 97 N TYR A 11 -0.910 1.670 -4.800 1.00 0.00 N ATOM 98 CA TYR A 11 -1.830 0.590 -4.400 1.00 0.00 C ATOM 99 C TYR A 11 -3.300 0.960 -4.580 1.00 0.00 C ATOM 100 O TYR A 11 -3.620 2.090 -4.930 1.00 0.00 O ATOM 101 CB TYR A 11 -1.540 0.140 -2.960 1.00 0.00 C ATOM 102 CG TYR A 11 -1.720 1.190 -1.860 1.00 0.00 C ATOM 103 CD1 TYR A 11 -3.000 1.610 -1.500 1.00 0.00 C ATOM 104 CD2 TYR A 11 -0.590 1.610 -1.180 1.00 0.00 C ATOM 105 CE1 TYR A 11 -3.140 2.500 -0.430 1.00 0.00 C ATOM 106 CE2 TYR A 11 -0.730 2.490 -0.110 1.00 0.00 C ATOM 107 CZ TYR A 11 -2.000 2.940 0.230 1.00 0.00 C ATOM 108 OH TYR A 11 -2.110 4.040 1.030 1.00 0.00 O ATOM 0 H TYR A 11 -0.436 2.111 -4.012 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.646 -0.248 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.188 -0.706 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.513 -0.224 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.867 1.255 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.388 1.260 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.118 2.839 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.135 2.818 0.447 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.806 3.887 1.703 1.00 0.00 H new ATOM 111 N GLU A 12 -4.150 -0.070 -4.500 1.00 0.00 N ATOM 112 CA GLU A 12 -5.610 0.030 -4.370 1.00 0.00 C ATOM 113 C GLU A 12 -6.130 -0.960 -3.330 1.00 0.00 C ATOM 114 O GLU A 12 -5.980 -2.170 -3.470 1.00 0.00 O ATOM 115 CB GLU A 12 -6.290 -0.190 -5.720 1.00 0.00 C ATOM 116 CG GLU A 12 -6.130 1.030 -6.630 1.00 0.00 C ATOM 117 CD GLU A 12 -6.160 0.650 -8.110 1.00 0.00 C ATOM 118 OE1 GLU A 12 -5.100 0.220 -8.600 1.00 0.00 O ATOM 119 OE2 GLU A 12 -7.270 0.740 -8.690 1.00 0.00 O ATOM 0 H GLU A 12 -3.827 -1.037 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.853 1.036 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.863 -1.067 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.349 -0.395 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.928 1.743 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.188 1.530 -6.403 1.00 0.00 H new ATOM 121 N VAL A 13 -6.640 -0.410 -2.230 1.00 0.00 N ATOM 122 CA VAL A 13 -7.100 -1.170 -1.060 1.00 0.00 C ATOM 123 C VAL A 13 -8.430 -1.900 -1.280 1.00 0.00 C ATOM 124 O VAL A 13 -9.460 -1.290 -1.560 1.00 0.00 O ATOM 125 CB VAL A 13 -7.130 -0.250 0.170 1.00 0.00 C ATOM 126 CG1 VAL A 13 -7.850 -0.800 1.400 1.00 0.00 C ATOM 127 CG2 VAL A 13 -5.700 0.100 0.580 1.00 0.00 C ATOM 0 H VAL A 13 -6.749 0.598 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.382 -1.971 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.705 0.617 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.808 -0.066 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.891 -1.005 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.366 -1.721 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.721 0.753 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.157 -0.813 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.200 0.611 -0.243 1.00 0.00 H new ATOM 129 N PHE A 14 -8.380 -3.210 -1.040 1.00 0.00 N ATOM 130 CA PHE A 14 -9.560 -4.070 -0.860 1.00 0.00 C ATOM 131 C PHE A 14 -9.590 -4.550 0.590 1.00 0.00 C ATOM 132 O PHE A 14 -8.850 -5.430 1.020 1.00 0.00 O ATOM 133 CB PHE A 14 -9.520 -5.280 -1.800 1.00 0.00 C ATOM 134 CG PHE A 14 -9.590 -4.930 -3.290 1.00 0.00 C ATOM 135 CD1 PHE A 14 -10.840 -4.810 -3.900 1.00 0.00 C ATOM 136 CD2 PHE A 14 -8.420 -4.840 -4.020 1.00 0.00 C ATOM 137 CE1 PHE A 14 -10.910 -4.600 -5.270 1.00 0.00 C ATOM 138 CE2 PHE A 14 -8.490 -4.630 -5.400 1.00 0.00 C ATOM 139 CZ PHE A 14 -9.730 -4.520 -6.010 1.00 0.00 C ATOM 0 H PHE A 14 -7.500 -3.719 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.455 -3.495 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.603 -5.839 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.351 -5.941 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.743 -4.880 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.462 -4.931 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.868 -4.500 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.586 -4.554 -5.986 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.784 -4.370 -7.078 1.00 0.00 H new ATOM 141 N GLY A 15 -10.300 -3.750 1.380 1.00 0.00 N ATOM 142 CA GLY A 15 -10.480 -3.980 2.820 1.00 0.00 C ATOM 143 C GLY A 15 -11.940 -3.790 3.270 1.00 0.00 C ATOM 144 O GLY A 15 -12.280 -2.750 3.820 1.00 0.00 O ATOM 0 H GLY A 15 -10.774 -2.913 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.156 -4.991 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.840 -3.296 3.377 1.00 0.00 H new ATOM 146 N ARG A 16 -12.700 -4.880 3.160 1.00 0.00 N ATOM 147 CA ARG A 16 -14.130 -4.940 3.480 1.00 0.00 C ATOM 148 C ARG A 16 -14.470 -4.430 4.890 1.00 0.00 C ATOM 149 O ARG A 16 -15.270 -3.510 5.040 1.00 0.00 O ATOM 150 CB ARG A 16 -14.670 -6.360 3.300 1.00 0.00 C ATOM 151 CG ARG A 16 -14.820 -6.750 1.830 1.00 0.00 C ATOM 152 CD ARG A 16 -15.420 -8.140 1.660 1.00 0.00 C ATOM 153 NE ARG A 16 -16.790 -8.210 2.190 1.00 0.00 N ATOM 154 CZ ARG A 16 -17.240 -9.070 3.110 1.00 0.00 C ATOM 155 NH1 ARG A 16 -16.480 -10.050 3.630 1.00 0.00 N ATOM 156 NH2 ARG A 16 -18.520 -9.010 3.510 1.00 0.00 N ATOM 0 H ARG A 16 -12.328 -5.773 2.836 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.616 -4.266 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.000 -7.065 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.638 -6.442 3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.452 -6.019 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.844 -6.716 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.425 -8.408 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.794 -8.871 2.171 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.462 -7.538 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.513 -10.162 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.870 -10.681 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.146 -8.310 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.866 -9.665 4.211 1.00 0.00 H new ATOM 163 N VAL A 17 -13.830 -5.020 5.890 1.00 0.00 N ATOM 164 CA VAL A 17 -13.950 -4.560 7.290 1.00 0.00 C ATOM 165 C VAL A 17 -12.650 -3.900 7.730 1.00 0.00 C ATOM 166 O VAL A 17 -11.570 -4.390 7.390 1.00 0.00 O ATOM 167 CB VAL A 17 -14.420 -5.710 8.190 1.00 0.00 C ATOM 168 CG1 VAL A 17 -13.420 -6.870 8.300 1.00 0.00 C ATOM 169 CG2 VAL A 17 -14.810 -5.200 9.580 1.00 0.00 C ATOM 0 H VAL A 17 -13.215 -5.825 5.769 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.719 -3.792 7.377 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.301 -6.120 7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.828 -7.641 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.240 -7.291 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.481 -6.503 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.139 -6.037 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.949 -4.722 10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.620 -4.477 9.488 1.00 0.00 H new ATOM 171 N GLN A 18 -12.790 -2.700 8.280 1.00 0.00 N ATOM 172 CA GLN A 18 -11.730 -1.860 8.850 1.00 0.00 C ATOM 173 C GLN A 18 -10.770 -1.220 7.850 1.00 0.00 C ATOM 174 O GLN A 18 -10.300 -0.110 8.080 1.00 0.00 O ATOM 175 CB GLN A 18 -11.010 -2.620 9.970 1.00 0.00 C ATOM 176 CG GLN A 18 -9.930 -1.850 10.730 1.00 0.00 C ATOM 177 CD GLN A 18 -10.440 -0.710 11.610 1.00 0.00 C ATOM 178 OE1 GLN A 18 -10.680 -0.870 12.800 1.00 0.00 O ATOM 179 NE2 GLN A 18 -10.530 0.500 11.070 1.00 0.00 N ATOM 0 H GLN A 18 -13.705 -2.254 8.347 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.235 -0.990 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.757 -2.959 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.555 -3.512 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.379 -2.552 11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.222 -1.442 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.330 0.632 10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.799 1.297 11.647 1.00 0.00 H new ATOM 183 N GLY A 19 -10.550 -1.920 6.730 1.00 0.00 N ATOM 184 CA GLY A 19 -9.680 -1.600 5.600 1.00 0.00 C ATOM 185 C GLY A 19 -9.310 -0.130 5.390 1.00 0.00 C ATOM 186 O GLY A 19 -8.140 0.250 5.440 1.00 0.00 O ATOM 0 H GLY A 19 -11.025 -2.811 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.756 -2.167 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.163 -1.959 4.691 1.00 0.00 H new ATOM 188 N VAL A 20 -10.350 0.650 5.100 1.00 0.00 N ATOM 189 CA VAL A 20 -10.260 2.100 4.860 1.00 0.00 C ATOM 190 C VAL A 20 -9.950 2.950 6.090 1.00 0.00 C ATOM 191 O VAL A 20 -10.680 3.850 6.480 1.00 0.00 O ATOM 192 CB VAL A 20 -11.440 2.630 4.040 1.00 0.00 C ATOM 193 CG1 VAL A 20 -11.310 2.180 2.580 1.00 0.00 C ATOM 194 CG2 VAL A 20 -12.810 2.260 4.620 1.00 0.00 C ATOM 0 H VAL A 20 -11.301 0.290 5.022 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.368 2.216 4.245 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.393 3.718 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.154 2.562 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.381 2.567 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.303 1.091 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.596 2.670 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.906 1.175 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.903 2.672 5.625 1.00 0.00 H new ATOM 196 N CYS A 21 -8.750 2.690 6.620 1.00 0.00 N ATOM 197 CA CYS A 21 -8.120 3.400 7.740 1.00 0.00 C ATOM 198 C CYS A 21 -6.600 3.390 7.580 1.00 0.00 C ATOM 199 O CYS A 21 -6.070 4.330 6.980 1.00 0.00 O ATOM 200 CB CYS A 21 -8.590 2.810 9.070 1.00 0.00 C ATOM 201 SG CYS A 21 -7.890 3.610 10.560 1.00 0.00 S ATOM 0 H CYS A 21 -8.160 1.939 6.261 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.428 4.446 7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.677 2.877 9.116 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.335 1.750 9.091 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.512 3.179 11.617 1.00 0.00 H new ATOM 204 N PHE A 22 -5.940 2.340 8.040 1.00 0.00 N ATOM 205 CA PHE A 22 -4.490 2.070 8.000 1.00 0.00 C ATOM 206 C PHE A 22 -3.520 3.060 8.650 1.00 0.00 C ATOM 207 O PHE A 22 -2.680 2.670 9.460 1.00 0.00 O ATOM 208 CB PHE A 22 -3.980 1.570 6.650 1.00 0.00 C ATOM 209 CG PHE A 22 -4.270 2.440 5.420 1.00 0.00 C ATOM 210 CD1 PHE A 22 -3.450 3.540 5.150 1.00 0.00 C ATOM 211 CD2 PHE A 22 -5.260 2.050 4.540 1.00 0.00 C ATOM 212 CE1 PHE A 22 -3.630 4.240 3.970 1.00 0.00 C ATOM 213 CE2 PHE A 22 -5.430 2.740 3.350 1.00 0.00 C ATOM 214 CZ PHE A 22 -4.610 3.840 3.080 1.00 0.00 C ATOM 0 H PHE A 22 -6.441 1.577 8.495 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.465 1.244 8.711 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.900 1.441 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.407 0.583 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.687 3.839 5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.898 1.212 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.008 5.094 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.185 2.432 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.745 4.388 2.159 1.00 0.00 H new ATOM 216 N ARG A 23 -3.740 4.340 8.350 1.00 0.00 N ATOM 217 CA ARG A 23 -2.970 5.530 8.750 1.00 0.00 C ATOM 218 C ARG A 23 -1.920 5.350 9.850 1.00 0.00 C ATOM 219 O ARG A 23 -0.790 5.020 9.510 1.00 0.00 O ATOM 220 CB ARG A 23 -3.940 6.680 9.040 1.00 0.00 C ATOM 221 CG ARG A 23 -3.810 7.800 8.010 1.00 0.00 C ATOM 222 CD ARG A 23 -4.380 7.470 6.630 1.00 0.00 C ATOM 223 NE ARG A 23 -5.850 7.390 6.650 1.00 0.00 N ATOM 224 CZ ARG A 23 -6.720 8.400 6.830 1.00 0.00 C ATOM 225 NH1 ARG A 23 -6.340 9.670 7.020 1.00 0.00 N ATOM 226 NH2 ARG A 23 -8.030 8.160 6.730 1.00 0.00 N ATOM 0 H ARG A 23 -4.535 4.600 7.766 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.337 5.765 7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.963 6.303 9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.746 7.077 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.314 8.687 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.756 8.054 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.067 8.232 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.969 6.521 6.284 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.254 6.464 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.349 9.909 7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.042 10.398 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.361 7.219 6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.699 8.918 6.865 1.00 0.00 H new ATOM 233 N MET A 24 -2.350 5.350 11.110 1.00 0.00 N ATOM 234 CA MET A 24 -1.490 5.310 12.290 1.00 0.00 C ATOM 235 C MET A 24 -0.340 4.300 12.190 1.00 0.00 C ATOM 236 O MET A 24 0.820 4.690 12.020 1.00 0.00 O ATOM 237 CB MET A 24 -2.310 5.020 13.550 1.00 0.00 C ATOM 238 CG MET A 24 -3.410 6.040 13.840 1.00 0.00 C ATOM 239 SD MET A 24 -4.890 5.910 12.770 1.00 0.00 S ATOM 240 CE MET A 24 -5.820 7.310 13.360 1.00 0.00 C ATOM 0 H MET A 24 -3.342 5.379 11.345 1.00 0.00 H new ATOM 0 HA MET A 24 -1.038 6.300 12.350 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.763 4.033 13.454 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.636 4.979 14.405 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.721 5.931 14.879 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.992 7.041 13.736 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.759 7.380 12.811 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.029 7.186 14.423 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.242 8.221 13.208 1.00 0.00 H new ATOM 242 N TYR A 25 -0.750 3.070 11.930 1.00 0.00 N ATOM 243 CA TYR A 25 0.110 1.880 11.800 1.00 0.00 C ATOM 244 C TYR A 25 1.170 2.060 10.710 1.00 0.00 C ATOM 245 O TYR A 25 2.360 2.230 11.010 1.00 0.00 O ATOM 246 CB TYR A 25 -0.860 0.730 11.530 1.00 0.00 C ATOM 247 CG TYR A 25 -0.270 -0.680 11.450 1.00 0.00 C ATOM 248 CD1 TYR A 25 0.800 -1.050 12.260 1.00 0.00 C ATOM 249 CD2 TYR A 25 -0.910 -1.590 10.620 1.00 0.00 C ATOM 250 CE1 TYR A 25 1.250 -2.370 12.230 1.00 0.00 C ATOM 251 CE2 TYR A 25 -0.480 -2.910 10.600 1.00 0.00 C ATOM 252 CZ TYR A 25 0.590 -3.270 11.400 1.00 0.00 C ATOM 253 OH TYR A 25 1.060 -4.550 11.360 1.00 0.00 O ATOM 0 H TYR A 25 -1.737 2.851 11.795 1.00 0.00 H new ATOM 0 HA TYR A 25 0.699 1.687 12.697 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.617 0.735 12.315 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.373 0.935 10.591 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.276 -0.324 12.903 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.734 -1.275 9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.088 -2.684 12.835 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.970 -3.640 9.973 1.00 0.00 H new ATOM 0 HH TYR A 25 0.430 -5.114 10.865 1.00 0.00 H new ATOM 256 N ALA A 26 0.690 2.310 9.500 1.00 0.00 N ATOM 257 CA ALA A 26 1.520 2.520 8.300 1.00 0.00 C ATOM 258 C ALA A 26 2.480 3.700 8.420 1.00 0.00 C ATOM 259 O ALA A 26 3.700 3.500 8.500 1.00 0.00 O ATOM 260 CB ALA A 26 0.600 2.660 7.080 1.00 0.00 C ATOM 0 H ALA A 26 -0.310 2.376 9.310 1.00 0.00 H new ATOM 0 HA ALA A 26 2.164 1.648 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.203 2.816 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.008 1.752 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.065 3.512 7.222 1.00 0.00 H new ATOM 262 N GLU A 27 1.910 4.850 8.770 1.00 0.00 N ATOM 263 CA GLU A 27 2.550 6.160 8.930 1.00 0.00 C ATOM 264 C GLU A 27 3.770 6.140 9.850 1.00 0.00 C ATOM 265 O GLU A 27 4.890 6.330 9.370 1.00 0.00 O ATOM 266 CB GLU A 27 1.490 7.130 9.470 1.00 0.00 C ATOM 267 CG GLU A 27 0.870 8.060 8.420 1.00 0.00 C ATOM 268 CD GLU A 27 -0.050 7.480 7.350 1.00 0.00 C ATOM 269 OE1 GLU A 27 -0.030 6.260 7.080 1.00 0.00 O ATOM 270 OE2 GLU A 27 -0.810 8.300 6.790 1.00 0.00 O ATOM 0 H GLU A 27 0.910 4.898 8.965 1.00 0.00 H new ATOM 0 HA GLU A 27 2.928 6.476 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.693 6.551 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.942 7.740 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.307 8.826 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.689 8.565 7.908 1.00 0.00 H new ATOM 272 N ASP A 28 3.550 5.640 11.060 1.00 0.00 N ATOM 273 CA ASP A 28 4.560 5.580 12.130 1.00 0.00 C ATOM 274 C ASP A 28 5.810 4.820 11.690 1.00 0.00 C ATOM 275 O ASP A 28 6.880 5.410 11.560 1.00 0.00 O ATOM 276 CB ASP A 28 3.960 4.960 13.400 1.00 0.00 C ATOM 277 CG ASP A 28 2.760 5.700 13.980 1.00 0.00 C ATOM 278 OD1 ASP A 28 2.640 6.920 13.740 1.00 0.00 O ATOM 279 OD2 ASP A 28 1.970 5.030 14.670 1.00 0.00 O ATOM 0 H ASP A 28 2.648 5.255 11.339 1.00 0.00 H new ATOM 0 HA ASP A 28 4.867 6.602 12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.662 3.935 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.738 4.908 14.162 1.00 0.00 H new ATOM 281 N GLU A 29 5.580 3.610 11.190 1.00 0.00 N ATOM 282 CA GLU A 29 6.660 2.730 10.690 1.00 0.00 C ATOM 283 C GLU A 29 7.350 3.290 9.440 1.00 0.00 C ATOM 284 O GLU A 29 8.560 3.490 9.450 1.00 0.00 O ATOM 285 CB GLU A 29 6.140 1.310 10.430 1.00 0.00 C ATOM 286 CG GLU A 29 5.950 0.500 11.710 1.00 0.00 C ATOM 287 CD GLU A 29 4.620 0.760 12.420 1.00 0.00 C ATOM 288 OE1 GLU A 29 4.580 1.690 13.260 1.00 0.00 O ATOM 289 OE2 GLU A 29 3.690 -0.020 12.140 1.00 0.00 O ATOM 0 H GLU A 29 4.648 3.202 11.115 1.00 0.00 H new ATOM 0 HA GLU A 29 7.413 2.688 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.190 1.369 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.838 0.787 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.021 -0.561 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.766 0.727 12.396 1.00 0.00 H new ATOM 291 N ALA A 30 6.540 3.720 8.480 1.00 0.00 N ATOM 292 CA ALA A 30 6.990 4.290 7.200 1.00 0.00 C ATOM 293 C ALA A 30 7.940 5.470 7.330 1.00 0.00 C ATOM 294 O ALA A 30 9.040 5.440 6.790 1.00 0.00 O ATOM 295 CB ALA A 30 5.760 4.710 6.390 1.00 0.00 C ATOM 0 H ALA A 30 5.524 3.684 8.565 1.00 0.00 H new ATOM 0 HA ALA A 30 7.560 3.509 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.079 5.135 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.131 3.839 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.194 5.456 6.948 1.00 0.00 H new ATOM 297 N ARG A 31 7.570 6.420 8.190 1.00 0.00 N ATOM 298 CA ARG A 31 8.400 7.580 8.530 1.00 0.00 C ATOM 299 C ARG A 31 9.780 7.180 9.050 1.00 0.00 C ATOM 300 O ARG A 31 10.790 7.530 8.450 1.00 0.00 O ATOM 301 CB ARG A 31 7.710 8.460 9.580 1.00 0.00 C ATOM 302 CG ARG A 31 6.570 9.300 9.000 1.00 0.00 C ATOM 303 CD ARG A 31 6.380 10.590 9.800 1.00 0.00 C ATOM 304 NE ARG A 31 7.590 11.410 9.720 1.00 0.00 N ATOM 305 CZ ARG A 31 7.680 12.700 9.350 1.00 0.00 C ATOM 306 NH1 ARG A 31 6.620 13.400 8.920 1.00 0.00 N ATOM 307 NH2 ARG A 31 8.880 13.290 9.310 1.00 0.00 N ATOM 0 H ARG A 31 6.674 6.407 8.677 1.00 0.00 H new ATOM 0 HA ARG A 31 8.532 8.140 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.319 7.827 10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.448 9.122 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.784 9.541 7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.646 8.722 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.527 11.146 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.159 10.353 10.841 1.00 0.00 H new ATOM 0 HE ARG A 31 8.465 10.951 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.704 12.955 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.730 14.377 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.716 12.762 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.958 14.268 9.031 1.00 0.00 H new ATOM 314 N LYS A 32 9.780 6.280 10.030 1.00 0.00 N ATOM 315 CA LYS A 32 10.980 5.720 10.660 1.00 0.00 C ATOM 316 C LYS A 32 11.930 5.020 9.690 1.00 0.00 C ATOM 317 O LYS A 32 13.140 5.050 9.880 1.00 0.00 O ATOM 318 CB LYS A 32 10.590 4.760 11.780 1.00 0.00 C ATOM 319 CG LYS A 32 9.840 5.460 12.920 1.00 0.00 C ATOM 320 CD LYS A 32 9.360 4.460 13.960 1.00 0.00 C ATOM 321 CE LYS A 32 8.530 5.160 15.050 1.00 0.00 C ATOM 322 NZ LYS A 32 8.160 4.190 16.080 1.00 0.00 N ATOM 0 H LYS A 32 8.917 5.906 10.423 1.00 0.00 H new ATOM 0 HA LYS A 32 11.527 6.574 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.965 3.966 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.488 4.286 12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.494 6.194 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.987 6.006 12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.759 3.688 13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.216 3.961 14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.104 5.975 15.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.634 5.601 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.599 4.663 16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.597 3.427 15.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.021 3.789 16.504 1.00 0.00 H new ATOM 327 N ILE A 33 11.360 4.330 8.700 1.00 0.00 N ATOM 328 CA ILE A 33 12.110 3.630 7.650 1.00 0.00 C ATOM 329 C ILE A 33 12.670 4.600 6.600 1.00 0.00 C ATOM 330 O ILE A 33 13.770 4.370 6.090 1.00 0.00 O ATOM 331 CB ILE A 33 11.270 2.530 7.000 1.00 0.00 C ATOM 332 CG1 ILE A 33 10.570 1.600 7.990 1.00 0.00 C ATOM 333 CG2 ILE A 33 12.060 1.710 5.980 1.00 0.00 C ATOM 334 CD1 ILE A 33 11.450 0.940 9.060 1.00 0.00 C ATOM 0 H ILE A 33 10.349 4.239 8.602 1.00 0.00 H new ATOM 0 HA ILE A 33 12.963 3.153 8.133 1.00 0.00 H new ATOM 0 HB ILE A 33 10.486 3.078 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.789 2.168 8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.075 0.811 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.414 0.944 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.422 2.366 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.908 1.235 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.834 0.306 9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.216 0.333 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.926 1.711 9.666 1.00 0.00 H new ATOM 336 N GLY A 34 11.920 5.650 6.280 1.00 0.00 N ATOM 337 CA GLY A 34 12.230 6.610 5.210 1.00 0.00 C ATOM 338 C GLY A 34 11.610 6.160 3.890 1.00 0.00 C ATOM 339 O GLY A 34 12.310 5.860 2.920 1.00 0.00 O ATOM 0 H GLY A 34 11.052 5.869 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.852 7.597 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.310 6.702 5.098 1.00 0.00 H new ATOM 341 N VAL A 35 10.280 6.200 3.860 1.00 0.00 N ATOM 342 CA VAL A 35 9.430 5.700 2.770 1.00 0.00 C ATOM 343 C VAL A 35 8.050 6.350 2.790 1.00 0.00 C ATOM 344 O VAL A 35 7.560 6.810 3.820 1.00 0.00 O ATOM 345 CB VAL A 35 9.400 4.180 2.790 1.00 0.00 C ATOM 346 CG1 VAL A 35 8.800 3.580 4.070 1.00 0.00 C ATOM 347 CG2 VAL A 35 8.720 3.540 1.580 1.00 0.00 C ATOM 0 H VAL A 35 9.737 6.598 4.626 1.00 0.00 H new ATOM 0 HA VAL A 35 9.862 5.991 1.812 1.00 0.00 H new ATOM 0 HB VAL A 35 10.461 3.933 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.816 2.492 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.387 3.900 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.771 3.922 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.746 2.455 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.684 3.875 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.245 3.833 0.671 1.00 0.00 H new ATOM 349 N VAL A 36 7.450 6.370 1.600 1.00 0.00 N ATOM 350 CA VAL A 36 6.060 6.730 1.270 1.00 0.00 C ATOM 351 C VAL A 36 5.680 8.190 1.530 1.00 0.00 C ATOM 352 O VAL A 36 6.470 8.940 2.090 1.00 0.00 O ATOM 353 CB VAL A 36 5.080 5.620 1.630 1.00 0.00 C ATOM 354 CG1 VAL A 36 5.140 5.080 3.060 1.00 0.00 C ATOM 355 CG2 VAL A 36 3.620 5.890 1.270 1.00 0.00 C ATOM 0 H VAL A 36 7.968 6.111 0.760 1.00 0.00 H new ATOM 0 HA VAL A 36 5.970 6.763 0.184 1.00 0.00 H new ATOM 0 HB VAL A 36 5.467 4.839 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.393 4.296 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.131 4.670 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.939 5.888 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.008 5.039 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.276 6.784 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.532 6.040 0.194 1.00 0.00 H new ATOM 357 N GLY A 37 4.710 8.620 0.730 1.00 0.00 N ATOM 358 CA GLY A 37 4.210 10.010 0.710 1.00 0.00 C ATOM 359 C GLY A 37 2.750 10.130 1.140 1.00 0.00 C ATOM 360 O GLY A 37 2.440 10.210 2.330 1.00 0.00 O ATOM 0 H GLY A 37 4.235 8.011 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.827 10.621 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.320 10.415 -0.296 1.00 0.00 H new ATOM 362 N TRP A 38 1.850 10.020 0.170 1.00 0.00 N ATOM 363 CA TRP A 38 0.430 10.340 0.410 1.00 0.00 C ATOM 364 C TRP A 38 -0.570 9.330 -0.160 1.00 0.00 C ATOM 365 O TRP A 38 -0.240 8.490 -0.990 1.00 0.00 O ATOM 366 CB TRP A 38 0.130 11.760 -0.080 1.00 0.00 C ATOM 367 CG TRP A 38 0.310 11.970 -1.580 1.00 0.00 C ATOM 368 CD1 TRP A 38 1.470 12.040 -2.230 1.00 0.00 C ATOM 369 CD2 TRP A 38 -0.680 12.340 -2.490 1.00 0.00 C ATOM 370 NE1 TRP A 38 1.270 12.430 -3.490 1.00 0.00 N ATOM 371 CE2 TRP A 38 -0.030 12.620 -3.680 1.00 0.00 C ATOM 372 CE3 TRP A 38 -2.060 12.520 -2.370 1.00 0.00 C ATOM 373 CZ2 TRP A 38 -0.740 13.100 -4.780 1.00 0.00 C ATOM 374 CZ3 TRP A 38 -2.760 13.000 -3.460 1.00 0.00 C ATOM 375 CH2 TRP A 38 -2.110 13.290 -4.660 1.00 0.00 C ATOM 0 H TRP A 38 2.064 9.717 -0.780 1.00 0.00 H new ATOM 0 HA TRP A 38 0.287 10.276 1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.896 12.012 0.187 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.778 12.457 0.451 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.434 11.814 -1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.997 12.561 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.568 12.289 -1.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.233 13.320 -5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.826 13.153 -3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.676 13.664 -5.500 1.00 0.00 H new ATOM 378 N VAL A 39 -1.770 9.400 0.420 1.00 0.00 N ATOM 379 CA VAL A 39 -2.940 8.630 -0.030 1.00 0.00 C ATOM 380 C VAL A 39 -3.930 9.600 -0.660 1.00 0.00 C ATOM 381 O VAL A 39 -4.250 10.660 -0.130 1.00 0.00 O ATOM 382 CB VAL A 39 -3.670 7.890 1.100 1.00 0.00 C ATOM 383 CG1 VAL A 39 -4.410 6.690 0.510 1.00 0.00 C ATOM 384 CG2 VAL A 39 -2.800 7.370 2.240 1.00 0.00 C ATOM 0 H VAL A 39 -1.963 9.998 1.224 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.573 7.877 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.326 8.642 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.932 6.158 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.132 7.036 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.695 6.020 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.427 6.867 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.067 6.666 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.284 8.205 2.714 1.00 0.00 H new ATOM 386 N LYS A 40 -4.460 9.150 -1.800 1.00 0.00 N ATOM 387 CA LYS A 40 -5.490 9.820 -2.610 1.00 0.00 C ATOM 388 C LYS A 40 -6.770 8.990 -2.720 1.00 0.00 C ATOM 389 O LYS A 40 -6.770 7.770 -2.900 1.00 0.00 O ATOM 390 CB LYS A 40 -4.980 10.260 -3.980 1.00 0.00 C ATOM 391 CG LYS A 40 -3.910 9.370 -4.620 1.00 0.00 C ATOM 392 CD LYS A 40 -3.360 10.000 -5.900 1.00 0.00 C ATOM 393 CE LYS A 40 -2.080 9.310 -6.370 1.00 0.00 C ATOM 394 NZ LYS A 40 -2.360 7.970 -6.890 1.00 0.00 N ATOM 0 H LYS A 40 -4.169 8.261 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.744 10.733 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.830 10.317 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.577 11.269 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.097 9.209 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.335 8.392 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.113 9.942 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.160 11.057 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.603 9.911 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.376 9.241 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.572 7.334 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.237 7.608 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.470 8.015 -7.923 1.00 0.00 H new ATOM 399 N ASN A 41 -7.860 9.720 -2.490 1.00 0.00 N ATOM 400 CA ASN A 41 -9.240 9.210 -2.370 1.00 0.00 C ATOM 401 C ASN A 41 -9.850 8.830 -3.720 1.00 0.00 C ATOM 402 O ASN A 41 -9.610 9.490 -4.730 1.00 0.00 O ATOM 403 CB ASN A 41 -10.140 10.270 -1.730 1.00 0.00 C ATOM 404 CG ASN A 41 -9.690 10.810 -0.380 1.00 0.00 C ATOM 405 OD1 ASN A 41 -8.670 10.460 0.210 1.00 0.00 O ATOM 406 ND2 ASN A 41 -10.400 11.820 0.110 1.00 0.00 N ATOM 0 H ASN A 41 -7.811 10.732 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.181 8.315 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.227 11.108 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.138 9.847 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.096 12.291 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.249 12.125 -0.366 1.00 0.00 H new ATOM 410 N THR A 42 -10.690 7.800 -3.690 1.00 0.00 N ATOM 411 CA THR A 42 -11.540 7.450 -4.830 1.00 0.00 C ATOM 412 C THR A 42 -13.020 7.440 -4.410 1.00 0.00 C ATOM 413 O THR A 42 -13.360 7.200 -3.250 1.00 0.00 O ATOM 414 CB THR A 42 -11.240 6.080 -5.430 1.00 0.00 C ATOM 415 OG1 THR A 42 -11.670 5.060 -4.520 1.00 0.00 O ATOM 416 CG2 THR A 42 -9.790 5.930 -5.880 1.00 0.00 C ATOM 0 H THR A 42 -10.803 7.187 -2.883 1.00 0.00 H new ATOM 0 HA THR A 42 -11.329 8.210 -5.582 1.00 0.00 H new ATOM 0 HB THR A 42 -11.810 5.969 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.967 4.383 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.640 4.934 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.565 6.680 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.128 6.069 -5.026 1.00 0.00 H new ATOM 419 N SER A 43 -13.860 7.520 -5.440 1.00 0.00 N ATOM 420 CA SER A 43 -15.310 7.320 -5.360 1.00 0.00 C ATOM 421 C SER A 43 -15.720 5.900 -4.960 1.00 0.00 C ATOM 422 O SER A 43 -16.790 5.710 -4.380 1.00 0.00 O ATOM 423 CB SER A 43 -15.900 7.620 -6.740 1.00 0.00 C ATOM 424 OG SER A 43 -15.140 6.920 -7.720 1.00 0.00 O ATOM 0 H SER A 43 -13.542 7.733 -6.386 1.00 0.00 H new ATOM 0 HA SER A 43 -15.686 7.985 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.945 7.312 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.876 8.692 -6.937 1.00 0.00 H new ATOM 0 HG SER A 43 -15.508 7.101 -8.610 1.00 0.00 H new ATOM 427 N LYS A 44 -14.830 4.940 -5.170 1.00 0.00 N ATOM 428 CA LYS A 44 -15.130 3.500 -5.070 1.00 0.00 C ATOM 429 C LYS A 44 -14.660 2.830 -3.780 1.00 0.00 C ATOM 430 O LYS A 44 -14.650 1.600 -3.690 1.00 0.00 O ATOM 431 CB LYS A 44 -14.500 2.810 -6.280 1.00 0.00 C ATOM 432 CG LYS A 44 -15.190 3.190 -7.590 1.00 0.00 C ATOM 433 CD LYS A 44 -14.350 2.830 -8.820 1.00 0.00 C ATOM 434 CE LYS A 44 -13.150 3.760 -8.990 1.00 0.00 C ATOM 435 NZ LYS A 44 -12.390 3.370 -10.190 1.00 0.00 N ATOM 0 H LYS A 44 -13.860 5.133 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.215 3.398 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.444 3.076 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.550 1.729 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.153 2.683 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.393 4.261 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.001 1.801 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.975 2.879 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.487 4.793 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.510 3.709 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.573 4.004 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.056 2.390 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.003 3.440 -11.027 1.00 0.00 H new ATOM 440 N GLY A 45 -14.250 3.630 -2.790 1.00 0.00 N ATOM 441 CA GLY A 45 -13.730 3.150 -1.510 1.00 0.00 C ATOM 442 C GLY A 45 -12.300 2.610 -1.580 1.00 0.00 C ATOM 443 O GLY A 45 -11.550 2.680 -0.610 1.00 0.00 O ATOM 0 H GLY A 45 -14.272 4.647 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.764 3.965 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.386 2.364 -1.135 1.00 0.00 H new ATOM 445 N THR A 46 -11.990 1.960 -2.700 1.00 0.00 N ATOM 446 CA THR A 46 -10.670 1.480 -3.110 1.00 0.00 C ATOM 447 C THR A 46 -9.670 2.630 -3.260 1.00 0.00 C ATOM 448 O THR A 46 -9.540 3.270 -4.300 1.00 0.00 O ATOM 449 CB THR A 46 -10.760 0.700 -4.430 1.00 0.00 C ATOM 450 OG1 THR A 46 -11.560 1.440 -5.350 1.00 0.00 O ATOM 451 CG2 THR A 46 -11.300 -0.710 -4.230 1.00 0.00 C ATOM 0 H THR A 46 -12.704 1.739 -3.394 1.00 0.00 H new ATOM 0 HA THR A 46 -10.312 0.816 -2.323 1.00 0.00 H new ATOM 0 HB THR A 46 -9.755 0.582 -4.835 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.226 2.359 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.345 -1.222 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.642 -1.260 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.300 -0.659 -3.799 1.00 0.00 H new ATOM 454 N VAL A 47 -9.180 3.020 -2.080 1.00 0.00 N ATOM 455 CA VAL A 47 -8.250 4.140 -1.920 1.00 0.00 C ATOM 456 C VAL A 47 -6.850 3.780 -2.440 1.00 0.00 C ATOM 457 O VAL A 47 -6.390 2.640 -2.310 1.00 0.00 O ATOM 458 CB VAL A 47 -8.320 4.620 -0.460 1.00 0.00 C ATOM 459 CG1 VAL A 47 -7.630 3.690 0.540 1.00 0.00 C ATOM 460 CG2 VAL A 47 -7.810 6.050 -0.340 1.00 0.00 C ATOM 0 H VAL A 47 -9.420 2.562 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.535 4.990 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.375 4.596 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.725 4.101 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.098 2.706 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.574 3.599 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.868 6.371 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.774 6.096 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.422 6.708 -0.957 1.00 0.00 H new ATOM 462 N THR A 48 -6.250 4.780 -3.080 1.00 0.00 N ATOM 463 CA THR A 48 -4.970 4.660 -3.780 1.00 0.00 C ATOM 464 C THR A 48 -3.870 5.480 -3.100 1.00 0.00 C ATOM 465 O THR A 48 -4.070 6.640 -2.760 1.00 0.00 O ATOM 466 CB THR A 48 -5.100 5.000 -5.270 1.00 0.00 C ATOM 467 OG1 THR A 48 -3.820 4.890 -5.890 1.00 0.00 O ATOM 468 CG2 THR A 48 -5.740 6.350 -5.580 1.00 0.00 C ATOM 0 H THR A 48 -6.647 5.718 -3.129 1.00 0.00 H new ATOM 0 HA THR A 48 -4.670 3.614 -3.719 1.00 0.00 H new ATOM 0 HB THR A 48 -5.798 4.273 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.457 3.993 -5.735 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.784 6.492 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.749 6.377 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.144 7.146 -5.133 1.00 0.00 H new ATOM 471 N GLY A 49 -2.720 4.830 -2.890 1.00 0.00 N ATOM 472 CA GLY A 49 -1.600 5.450 -2.160 1.00 0.00 C ATOM 473 C GLY A 49 -0.250 5.260 -2.850 1.00 0.00 C ATOM 474 O GLY A 49 0.140 4.130 -3.160 1.00 0.00 O ATOM 0 H GLY A 49 -2.537 3.880 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.795 6.516 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.550 5.026 -1.157 1.00 0.00 H new ATOM 476 N GLN A 50 0.540 6.320 -2.740 1.00 0.00 N ATOM 477 CA GLN A 50 1.840 6.470 -3.420 1.00 0.00 C ATOM 478 C GLN A 50 3.020 6.120 -2.510 1.00 0.00 C ATOM 479 O GLN A 50 3.600 6.940 -1.810 1.00 0.00 O ATOM 480 CB GLN A 50 1.890 7.900 -3.980 1.00 0.00 C ATOM 481 CG GLN A 50 2.950 8.060 -5.070 1.00 0.00 C ATOM 482 CD GLN A 50 2.700 9.340 -5.880 1.00 0.00 C ATOM 483 OE1 GLN A 50 2.950 10.470 -5.460 1.00 0.00 O ATOM 484 NE2 GLN A 50 2.210 9.180 -7.110 1.00 0.00 N ATOM 0 H GLN A 50 0.297 7.125 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 50 1.933 5.758 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.913 8.163 -4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.098 8.598 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.942 8.096 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.933 7.194 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.003 8.244 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.043 9.994 -7.702 1.00 0.00 H new ATOM 488 N VAL A 51 3.300 4.820 -2.540 1.00 0.00 N ATOM 489 CA VAL A 51 4.390 4.190 -1.780 1.00 0.00 C ATOM 490 C VAL A 51 5.700 4.250 -2.570 1.00 0.00 C ATOM 491 O VAL A 51 6.050 3.340 -3.320 1.00 0.00 O ATOM 492 CB VAL A 51 4.040 2.770 -1.320 1.00 0.00 C ATOM 493 CG1 VAL A 51 5.100 2.190 -0.390 1.00 0.00 C ATOM 494 CG2 VAL A 51 2.720 2.730 -0.550 1.00 0.00 C ATOM 0 H VAL A 51 2.768 4.156 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 51 4.532 4.763 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 51 3.972 2.184 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.809 1.183 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.058 2.152 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.192 2.820 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.509 1.706 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.794 3.366 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.914 3.090 -1.190 1.00 0.00 H new ATOM 496 N GLN A 52 6.330 5.410 -2.440 1.00 0.00 N ATOM 497 CA GLN A 52 7.670 5.640 -2.990 1.00 0.00 C ATOM 498 C GLN A 52 8.730 5.220 -1.970 1.00 0.00 C ATOM 499 O GLN A 52 8.720 5.660 -0.820 1.00 0.00 O ATOM 500 CB GLN A 52 7.870 7.090 -3.430 1.00 0.00 C ATOM 501 CG GLN A 52 9.130 7.210 -4.290 1.00 0.00 C ATOM 502 CD GLN A 52 9.550 8.670 -4.520 1.00 0.00 C ATOM 503 OE1 GLN A 52 9.620 9.500 -3.620 1.00 0.00 O ATOM 504 NE2 GLN A 52 10.080 8.940 -5.700 1.00 0.00 N ATOM 0 H GLN A 52 5.935 6.216 -1.955 1.00 0.00 H new ATOM 0 HA GLN A 52 7.777 5.026 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.002 7.430 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.954 7.735 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.947 6.672 -3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.956 6.730 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.025 8.254 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.544 9.835 -5.858 1.00 0.00 H new ATOM 508 N GLY A 53 9.470 4.200 -2.400 1.00 0.00 N ATOM 509 CA GLY A 53 10.520 3.510 -1.640 1.00 0.00 C ATOM 510 C GLY A 53 10.760 2.110 -2.200 1.00 0.00 C ATOM 511 O GLY A 53 11.550 2.000 -3.140 1.00 0.00 O ATOM 0 H GLY A 53 9.350 3.810 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.444 4.087 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.232 3.443 -0.591 1.00 0.00 H new ATOM 513 N PRO A 54 9.950 1.130 -1.820 1.00 0.00 N ATOM 514 CA PRO A 54 10.270 -0.310 -1.870 1.00 0.00 C ATOM 515 C PRO A 54 11.470 -0.760 -2.710 1.00 0.00 C ATOM 516 O PRO A 54 11.360 -1.070 -3.900 1.00 0.00 O ATOM 517 CB PRO A 54 8.970 -1.000 -2.270 1.00 0.00 C ATOM 518 CG PRO A 54 7.950 -0.150 -1.510 1.00 0.00 C ATOM 519 CD PRO A 54 8.500 1.270 -1.650 1.00 0.00 C ATOM 0 HA PRO A 54 10.633 -0.601 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.805 -0.979 -3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.946 -2.046 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.952 -0.239 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.875 -0.451 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.055 1.778 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.267 1.867 -0.768 1.00 0.00 H new ATOM 520 N GLU A 55 12.630 -0.640 -2.080 1.00 0.00 N ATOM 521 CA GLU A 55 13.900 -1.160 -2.620 1.00 0.00 C ATOM 522 C GLU A 55 14.620 -2.010 -1.570 1.00 0.00 C ATOM 523 O GLU A 55 14.850 -1.560 -0.450 1.00 0.00 O ATOM 524 CB GLU A 55 14.760 0.000 -3.130 1.00 0.00 C ATOM 525 CG GLU A 55 15.980 -0.510 -3.900 1.00 0.00 C ATOM 526 CD GLU A 55 16.910 0.590 -4.420 1.00 0.00 C ATOM 527 OE1 GLU A 55 16.880 1.720 -3.870 1.00 0.00 O ATOM 528 OE2 GLU A 55 17.730 0.240 -5.290 1.00 0.00 O ATOM 0 H GLU A 55 12.728 -0.179 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 55 13.699 -1.814 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.162 0.642 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.087 0.610 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.551 -1.174 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.637 -1.107 -4.745 1.00 0.00 H new ATOM 530 N GLU A 56 14.580 -3.300 -1.850 1.00 0.00 N ATOM 531 CA GLU A 56 15.210 -4.400 -1.100 1.00 0.00 C ATOM 532 C GLU A 56 14.780 -4.500 0.360 1.00 0.00 C ATOM 533 O GLU A 56 13.710 -5.050 0.620 1.00 0.00 O ATOM 534 CB GLU A 56 16.730 -4.450 -1.290 1.00 0.00 C ATOM 535 CG GLU A 56 17.110 -5.130 -2.610 1.00 0.00 C ATOM 536 CD GLU A 56 18.600 -5.430 -2.700 1.00 0.00 C ATOM 537 OE1 GLU A 56 19.160 -5.960 -1.720 1.00 0.00 O ATOM 538 OE2 GLU A 56 19.150 -5.170 -3.800 1.00 0.00 O ATOM 0 H GLU A 56 14.072 -3.644 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 56 14.815 -5.309 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.133 -3.438 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.184 -4.989 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.548 -6.059 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.820 -4.489 -3.443 1.00 0.00 H new ATOM 540 N LYS A 57 15.460 -3.800 1.270 1.00 0.00 N ATOM 541 CA LYS A 57 15.090 -3.750 2.690 1.00 0.00 C ATOM 542 C LYS A 57 13.660 -3.250 2.890 1.00 0.00 C ATOM 543 O LYS A 57 12.850 -3.930 3.510 1.00 0.00 O ATOM 544 CB LYS A 57 16.100 -2.870 3.430 1.00 0.00 C ATOM 545 CG LYS A 57 15.940 -2.950 4.940 1.00 0.00 C ATOM 546 CD LYS A 57 16.920 -2.030 5.660 1.00 0.00 C ATOM 547 CE LYS A 57 16.720 -2.110 7.180 1.00 0.00 C ATOM 548 NZ LYS A 57 17.660 -1.210 7.860 1.00 0.00 N ATOM 0 H LYS A 57 16.287 -3.248 1.044 1.00 0.00 H new ATOM 0 HA LYS A 57 15.118 -4.760 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 57 17.111 -3.174 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.981 -1.835 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.920 -2.680 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.097 -3.977 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 17.943 -2.310 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.778 -1.003 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.696 -1.839 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.873 -3.134 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.517 -1.271 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 18.635 -1.488 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.494 -0.233 7.545 1.00 0.00 H new ATOM 553 N VAL A 58 13.300 -2.200 2.150 1.00 0.00 N ATOM 554 CA VAL A 58 11.960 -1.600 2.230 1.00 0.00 C ATOM 555 C VAL A 58 10.900 -2.270 1.360 1.00 0.00 C ATOM 556 O VAL A 58 9.720 -1.960 1.480 1.00 0.00 O ATOM 557 CB VAL A 58 12.090 -0.070 2.170 1.00 0.00 C ATOM 558 CG1 VAL A 58 12.660 0.490 0.860 1.00 0.00 C ATOM 559 CG2 VAL A 58 10.790 0.630 2.550 1.00 0.00 C ATOM 0 H VAL A 58 13.921 -1.742 1.483 1.00 0.00 H new ATOM 0 HA VAL A 58 11.518 -1.818 3.202 1.00 0.00 H new ATOM 0 HB VAL A 58 12.844 0.159 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.711 1.577 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.660 0.089 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.015 0.202 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.928 1.710 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.000 0.329 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.511 0.352 3.566 1.00 0.00 H new ATOM 561 N ASN A 59 11.270 -3.340 0.660 1.00 0.00 N ATOM 562 CA ASN A 59 10.300 -4.260 0.050 1.00 0.00 C ATOM 563 C ASN A 59 9.400 -4.900 1.100 1.00 0.00 C ATOM 564 O ASN A 59 8.200 -5.080 0.880 1.00 0.00 O ATOM 565 CB ASN A 59 10.960 -5.390 -0.740 1.00 0.00 C ATOM 566 CG ASN A 59 11.480 -4.980 -2.120 1.00 0.00 C ATOM 567 OD1 ASN A 59 11.840 -3.840 -2.390 1.00 0.00 O ATOM 568 ND2 ASN A 59 11.620 -5.950 -3.020 1.00 0.00 N ATOM 0 H ASN A 59 12.244 -3.597 0.498 1.00 0.00 H new ATOM 0 HA ASN A 59 9.718 -3.641 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.790 -5.788 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.240 -6.199 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.026 -5.744 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.321 -6.899 -2.797 1.00 0.00 H new ATOM 572 N SER A 60 9.980 -5.170 2.270 1.00 0.00 N ATOM 573 CA SER A 60 9.280 -5.660 3.470 1.00 0.00 C ATOM 574 C SER A 60 8.060 -4.830 3.860 1.00 0.00 C ATOM 575 O SER A 60 6.990 -5.410 4.090 1.00 0.00 O ATOM 576 CB SER A 60 10.270 -5.720 4.630 1.00 0.00 C ATOM 577 OG SER A 60 11.390 -6.500 4.210 1.00 0.00 O ATOM 0 H SER A 60 10.982 -5.052 2.419 1.00 0.00 H new ATOM 0 HA SER A 60 8.896 -6.652 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.588 -4.716 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.802 -6.165 5.508 1.00 0.00 H new ATOM 0 HG SER A 60 12.096 -5.907 3.880 1.00 0.00 H new ATOM 580 N MET A 61 8.150 -3.510 3.720 1.00 0.00 N ATOM 581 CA MET A 61 7.030 -2.600 3.980 1.00 0.00 C ATOM 582 C MET A 61 5.840 -2.910 3.070 1.00 0.00 C ATOM 583 O MET A 61 4.770 -3.290 3.540 1.00 0.00 O ATOM 584 CB MET A 61 7.480 -1.140 3.800 1.00 0.00 C ATOM 585 CG MET A 61 6.500 -0.170 4.460 1.00 0.00 C ATOM 586 SD MET A 61 5.970 1.190 3.350 1.00 0.00 S ATOM 587 CE MET A 61 4.440 1.630 4.150 1.00 0.00 C ATOM 0 H MET A 61 9.003 -3.037 3.422 1.00 0.00 H new ATOM 0 HA MET A 61 6.707 -2.746 5.011 1.00 0.00 H new ATOM 0 HB2 MET A 61 8.472 -1.007 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 61 7.561 -0.911 2.737 1.00 0.00 H new ATOM 0 HG2 MET A 61 5.621 -0.722 4.792 1.00 0.00 H new ATOM 0 HG3 MET A 61 6.964 0.256 5.350 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.893 2.336 3.525 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.837 0.734 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.653 2.089 5.115 1.00 0.00 H new ATOM 589 N LYS A 62 6.110 -2.950 1.770 1.00 0.00 N ATOM 590 CA LYS A 62 5.160 -3.370 0.730 1.00 0.00 C ATOM 591 C LYS A 62 4.570 -4.750 0.990 1.00 0.00 C ATOM 592 O LYS A 62 3.360 -4.910 1.140 1.00 0.00 O ATOM 593 CB LYS A 62 5.950 -3.300 -0.580 1.00 0.00 C ATOM 594 CG LYS A 62 5.240 -3.780 -1.850 1.00 0.00 C ATOM 595 CD LYS A 62 6.230 -3.810 -3.020 1.00 0.00 C ATOM 596 CE LYS A 62 7.290 -4.900 -2.880 1.00 0.00 C ATOM 597 NZ LYS A 62 8.410 -4.640 -3.800 1.00 0.00 N ATOM 0 H LYS A 62 7.020 -2.685 1.393 1.00 0.00 H new ATOM 0 HA LYS A 62 4.285 -2.721 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.257 -2.266 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.860 -3.888 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.822 -4.774 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.407 -3.118 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.681 -3.963 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.722 -2.841 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.654 -4.934 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.851 -5.874 -3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.283 -5.046 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.210 -5.076 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.529 -3.614 -3.920 1.00 0.00 H new ATOM 602 N SER A 63 5.460 -5.720 1.230 1.00 0.00 N ATOM 603 CA SER A 63 5.150 -7.130 1.500 1.00 0.00 C ATOM 604 C SER A 63 4.230 -7.380 2.700 1.00 0.00 C ATOM 605 O SER A 63 3.630 -8.450 2.780 1.00 0.00 O ATOM 606 CB SER A 63 6.470 -7.880 1.670 1.00 0.00 C ATOM 607 OG SER A 63 6.270 -9.290 1.530 1.00 0.00 O ATOM 0 H SER A 63 6.463 -5.535 1.242 1.00 0.00 H new ATOM 0 HA SER A 63 4.580 -7.497 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.189 -7.534 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.894 -7.663 2.650 1.00 0.00 H new ATOM 0 HG SER A 63 5.354 -9.518 1.794 1.00 0.00 H new ATOM 610 N TRP A 64 4.330 -6.500 3.690 1.00 0.00 N ATOM 611 CA TRP A 64 3.430 -6.390 4.850 1.00 0.00 C ATOM 612 C TRP A 64 2.090 -5.720 4.550 1.00 0.00 C ATOM 613 O TRP A 64 1.030 -6.270 4.870 1.00 0.00 O ATOM 614 CB TRP A 64 4.230 -5.670 5.940 1.00 0.00 C ATOM 615 CG TRP A 64 3.440 -4.860 6.970 1.00 0.00 C ATOM 616 CD1 TRP A 64 2.690 -5.360 7.960 1.00 0.00 C ATOM 617 CD2 TRP A 64 3.320 -3.480 7.030 1.00 0.00 C ATOM 618 NE1 TRP A 64 2.120 -4.360 8.630 1.00 0.00 N ATOM 619 CE2 TRP A 64 2.460 -3.200 8.080 1.00 0.00 C ATOM 620 CE3 TRP A 64 3.870 -2.440 6.280 1.00 0.00 C ATOM 621 CZ2 TRP A 64 2.110 -1.890 8.390 1.00 0.00 C ATOM 622 CZ3 TRP A 64 3.530 -1.130 6.590 1.00 0.00 C ATOM 623 CH2 TRP A 64 2.670 -0.860 7.640 1.00 0.00 C ATOM 0 H TRP A 64 5.076 -5.805 3.714 1.00 0.00 H new ATOM 0 HA TRP A 64 3.124 -7.384 5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.817 -6.416 6.476 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.936 -4.998 5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.567 -6.410 8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.514 -4.469 9.443 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.551 -2.651 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.420 -1.677 9.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.939 -0.317 6.008 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.430 0.165 7.881 1.00 0.00 H new ATOM 626 N LEU A 65 2.150 -4.550 3.920 1.00 0.00 N ATOM 627 CA LEU A 65 1.030 -3.650 3.610 1.00 0.00 C ATOM 628 C LEU A 65 -0.160 -4.300 2.900 1.00 0.00 C ATOM 629 O LEU A 65 -1.300 -3.860 3.030 1.00 0.00 O ATOM 630 CB LEU A 65 1.630 -2.480 2.840 1.00 0.00 C ATOM 631 CG LEU A 65 0.790 -1.210 2.830 1.00 0.00 C ATOM 632 CD1 LEU A 65 0.660 -0.590 4.220 1.00 0.00 C ATOM 633 CD2 LEU A 65 1.460 -0.190 1.890 1.00 0.00 C ATOM 0 H LEU A 65 3.039 -4.176 3.588 1.00 0.00 H new ATOM 0 HA LEU A 65 0.566 -3.320 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.606 -2.248 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.799 -2.793 1.810 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.212 -1.470 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.052 0.313 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.185 -1.303 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.650 -0.337 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.872 0.727 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.465 0.031 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.518 -0.606 0.884 1.00 0.00 H new ATOM 635 N SER A 66 0.130 -5.370 2.170 1.00 0.00 N ATOM 636 CA SER A 66 -0.820 -6.300 1.540 1.00 0.00 C ATOM 637 C SER A 66 -1.850 -6.890 2.510 1.00 0.00 C ATOM 638 O SER A 66 -3.040 -6.670 2.330 1.00 0.00 O ATOM 639 CB SER A 66 -0.020 -7.410 0.860 1.00 0.00 C ATOM 640 OG SER A 66 0.940 -7.880 1.810 1.00 0.00 O ATOM 0 H SER A 66 1.098 -5.635 1.986 1.00 0.00 H new ATOM 0 HA SER A 66 -1.406 -5.736 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.677 -8.220 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.476 -7.034 -0.035 1.00 0.00 H new ATOM 0 HG SER A 66 1.844 -7.724 1.466 1.00 0.00 H new ATOM 643 N LYS A 67 -1.330 -7.590 3.510 1.00 0.00 N ATOM 644 CA LYS A 67 -2.040 -8.270 4.590 1.00 0.00 C ATOM 645 C LYS A 67 -1.470 -7.820 5.940 1.00 0.00 C ATOM 646 O LYS A 67 -0.830 -8.550 6.690 1.00 0.00 O ATOM 647 CB LYS A 67 -1.920 -9.790 4.420 1.00 0.00 C ATOM 648 CG LYS A 67 -3.160 -10.450 3.830 1.00 0.00 C ATOM 649 CD LYS A 67 -3.440 -10.120 2.360 1.00 0.00 C ATOM 650 CE LYS A 67 -2.450 -10.770 1.390 1.00 0.00 C ATOM 651 NZ LYS A 67 -2.840 -10.430 0.020 1.00 0.00 N ATOM 0 H LYS A 67 -0.320 -7.707 3.595 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.098 -8.008 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.066 -10.007 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.710 -10.238 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.059 -11.531 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.026 -10.155 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.450 -10.445 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.411 -9.039 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.438 -10.420 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.445 -11.852 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.174 -10.866 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.800 -10.785 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.824 -9.397 -0.099 1.00 0.00 H new ATOM 656 N VAL A 68 -1.790 -6.560 6.240 1.00 0.00 N ATOM 657 CA VAL A 68 -1.360 -5.830 7.440 1.00 0.00 C ATOM 658 C VAL A 68 -1.670 -6.480 8.790 1.00 0.00 C ATOM 659 O VAL A 68 -1.120 -6.070 9.810 1.00 0.00 O ATOM 660 CB VAL A 68 -1.880 -4.390 7.430 1.00 0.00 C ATOM 661 CG1 VAL A 68 -0.990 -3.460 6.620 1.00 0.00 C ATOM 662 CG2 VAL A 68 -3.340 -4.270 7.000 1.00 0.00 C ATOM 0 H VAL A 68 -2.380 -5.994 5.630 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.273 -5.854 7.363 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.839 -4.067 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.401 -2.451 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.013 -3.453 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.943 -3.809 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.639 -3.222 7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.456 -4.664 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.969 -4.838 7.685 1.00 0.00 H new ATOM 664 N GLY A 69 -2.750 -7.250 8.800 1.00 0.00 N ATOM 665 CA GLY A 69 -3.140 -8.120 9.920 1.00 0.00 C ATOM 666 C GLY A 69 -4.280 -7.510 10.740 1.00 0.00 C ATOM 667 O GLY A 69 -5.450 -7.850 10.550 1.00 0.00 O ATOM 0 H GLY A 69 -3.400 -7.294 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.448 -9.092 9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.278 -8.291 10.565 1.00 0.00 H new ATOM 669 N SER A 70 -3.890 -6.650 11.670 1.00 0.00 N ATOM 670 CA SER A 70 -4.840 -5.970 12.560 1.00 0.00 C ATOM 671 C SER A 70 -4.730 -4.440 12.650 1.00 0.00 C ATOM 672 O SER A 70 -5.530 -3.800 11.960 1.00 0.00 O ATOM 673 CB SER A 70 -4.920 -6.630 13.940 1.00 0.00 C ATOM 674 OG SER A 70 -5.750 -5.870 14.810 1.00 0.00 O ATOM 0 H SER A 70 -2.915 -6.400 11.834 1.00 0.00 H new ATOM 0 HA SER A 70 -5.794 -6.116 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.315 -7.641 13.843 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.921 -6.717 14.366 1.00 0.00 H new ATOM 0 HG SER A 70 -5.792 -6.306 15.686 1.00 0.00 H new ATOM 677 N PRO A 71 -3.740 -3.870 13.330 1.00 0.00 N ATOM 678 CA PRO A 71 -3.810 -2.530 13.920 1.00 0.00 C ATOM 679 C PRO A 71 -4.430 -1.470 13.000 1.00 0.00 C ATOM 680 O PRO A 71 -3.910 -1.200 11.920 1.00 0.00 O ATOM 681 CB PRO A 71 -2.380 -2.160 14.310 1.00 0.00 C ATOM 682 CG PRO A 71 -1.720 -3.520 14.520 1.00 0.00 C ATOM 683 CD PRO A 71 -2.360 -4.370 13.410 1.00 0.00 C ATOM 0 HA PRO A 71 -4.478 -2.552 14.781 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.883 -1.587 13.527 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.352 -1.554 15.215 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.636 -3.466 14.417 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.926 -3.923 15.511 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.836 -4.249 12.462 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.334 -5.432 13.655 1.00 0.00 H new ATOM 684 N SER A 72 -5.690 -1.200 13.340 1.00 0.00 N ATOM 685 CA SER A 72 -6.570 -0.220 12.690 1.00 0.00 C ATOM 686 C SER A 72 -6.510 -0.200 11.160 1.00 0.00 C ATOM 687 O SER A 72 -6.330 0.840 10.530 1.00 0.00 O ATOM 688 CB SER A 72 -6.350 1.160 13.310 1.00 0.00 C ATOM 689 OG SER A 72 -5.000 1.600 13.090 1.00 0.00 O ATOM 0 H SER A 72 -6.150 -1.680 14.113 1.00 0.00 H new ATOM 0 HA SER A 72 -7.592 -0.545 12.887 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.048 1.876 12.876 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.557 1.122 14.380 1.00 0.00 H new ATOM 0 HG SER A 72 -4.875 2.485 13.491 1.00 0.00 H new ATOM 692 N SER A 73 -6.550 -1.400 10.590 1.00 0.00 N ATOM 693 CA SER A 73 -6.430 -1.630 9.140 1.00 0.00 C ATOM 694 C SER A 73 -7.070 -2.930 8.650 1.00 0.00 C ATOM 695 O SER A 73 -8.040 -2.880 7.900 1.00 0.00 O ATOM 696 CB SER A 73 -4.970 -1.570 8.680 1.00 0.00 C ATOM 697 OG SER A 73 -4.190 -2.530 9.410 1.00 0.00 O ATOM 0 H SER A 73 -6.669 -2.260 11.125 1.00 0.00 H new ATOM 0 HA SER A 73 -6.994 -0.815 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.907 -1.774 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.570 -0.568 8.837 1.00 0.00 H new ATOM 0 HG SER A 73 -4.029 -2.198 10.318 1.00 0.00 H new ATOM 700 N ARG A 74 -6.520 -4.070 9.060 1.00 0.00 N ATOM 701 CA ARG A 74 -6.890 -5.430 8.640 1.00 0.00 C ATOM 702 C ARG A 74 -6.550 -5.750 7.180 1.00 0.00 C ATOM 703 O ARG A 74 -5.630 -6.530 6.940 1.00 0.00 O ATOM 704 CB ARG A 74 -8.320 -5.820 9.000 1.00 0.00 C ATOM 705 CG ARG A 74 -8.410 -6.160 10.490 1.00 0.00 C ATOM 706 CD ARG A 74 -9.810 -6.650 10.880 1.00 0.00 C ATOM 707 NE ARG A 74 -9.740 -7.260 12.210 1.00 0.00 N ATOM 708 CZ ARG A 74 -10.340 -6.830 13.330 1.00 0.00 C ATOM 709 NH1 ARG A 74 -11.190 -5.800 13.340 1.00 0.00 N ATOM 710 NH2 ARG A 74 -10.170 -7.500 14.470 1.00 0.00 N ATOM 0 H ARG A 74 -5.756 -4.075 9.736 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.244 -6.071 9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.000 -5.001 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.633 -6.677 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.676 -6.928 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.156 -5.279 11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.515 -5.818 10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.174 -7.374 10.151 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.173 -8.104 12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.405 -5.308 12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.624 -5.506 14.215 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.586 -8.336 14.488 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.624 -7.177 15.324 1.00 0.00 H new ATOM 717 N ILE A 75 -7.160 -4.990 6.270 1.00 0.00 N ATOM 718 CA ILE A 75 -7.080 -5.060 4.800 1.00 0.00 C ATOM 719 C ILE A 75 -6.870 -6.480 4.260 1.00 0.00 C ATOM 720 O ILE A 75 -5.760 -7.000 4.230 1.00 0.00 O ATOM 721 CB ILE A 75 -6.050 -4.090 4.210 1.00 0.00 C ATOM 722 CG1 ILE A 75 -6.150 -2.680 4.790 1.00 0.00 C ATOM 723 CG2 ILE A 75 -6.290 -4.010 2.700 1.00 0.00 C ATOM 724 CD1 ILE A 75 -4.910 -1.820 4.560 1.00 0.00 C ATOM 0 H ILE A 75 -7.782 -4.238 6.565 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.065 -4.739 4.460 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.058 -4.470 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.013 -2.179 4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.335 -2.752 5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.570 -3.325 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.171 -5.000 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.301 -3.648 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.063 -0.836 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.046 -2.296 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.734 -1.714 3.490 1.00 0.00 H new ATOM 726 N ASP A 76 -7.930 -6.960 3.620 1.00 0.00 N ATOM 727 CA ASP A 76 -7.930 -8.310 3.020 1.00 0.00 C ATOM 728 C ASP A 76 -7.000 -8.510 1.820 1.00 0.00 C ATOM 729 O ASP A 76 -6.610 -9.640 1.540 1.00 0.00 O ATOM 730 CB ASP A 76 -9.340 -8.830 2.740 1.00 0.00 C ATOM 731 CG ASP A 76 -10.220 -7.920 1.890 1.00 0.00 C ATOM 732 OD1 ASP A 76 -10.110 -7.990 0.650 1.00 0.00 O ATOM 733 OD2 ASP A 76 -10.970 -7.130 2.510 1.00 0.00 O ATOM 0 H ASP A 76 -8.802 -6.445 3.498 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.490 -8.928 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.260 -9.796 2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.840 -9.003 3.693 1.00 0.00 H new ATOM 735 N ARG A 77 -6.810 -7.450 1.030 1.00 0.00 N ATOM 736 CA ARG A 77 -5.820 -7.400 -0.060 1.00 0.00 C ATOM 737 C ARG A 77 -5.550 -5.970 -0.510 1.00 0.00 C ATOM 738 O ARG A 77 -6.430 -5.280 -1.040 1.00 0.00 O ATOM 739 CB ARG A 77 -6.280 -8.210 -1.280 1.00 0.00 C ATOM 740 CG ARG A 77 -5.130 -8.440 -2.260 1.00 0.00 C ATOM 741 CD ARG A 77 -5.600 -8.830 -3.660 1.00 0.00 C ATOM 742 NE ARG A 77 -6.270 -10.130 -3.690 1.00 0.00 N ATOM 743 CZ ARG A 77 -7.490 -10.370 -4.190 1.00 0.00 C ATOM 744 NH1 ARG A 77 -8.270 -9.400 -4.680 1.00 0.00 N ATOM 745 NH2 ARG A 77 -7.920 -11.640 -4.310 1.00 0.00 N ATOM 0 H ARG A 77 -7.345 -6.587 1.127 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.905 -7.834 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.679 -9.170 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.090 -7.684 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.530 -7.532 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.481 -9.224 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.281 -8.066 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.743 -8.852 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.764 -10.923 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.942 -8.434 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.193 -9.626 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.319 -12.412 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.847 -11.831 -4.690 1.00 0.00 H new ATOM 752 N THR A 78 -4.350 -5.480 -0.220 1.00 0.00 N ATOM 753 CA THR A 78 -3.850 -4.240 -0.830 1.00 0.00 C ATOM 754 C THR A 78 -3.130 -4.570 -2.140 1.00 0.00 C ATOM 755 O THR A 78 -1.990 -5.030 -2.190 1.00 0.00 O ATOM 756 CB THR A 78 -2.950 -3.460 0.130 1.00 0.00 C ATOM 757 OG1 THR A 78 -3.700 -3.210 1.320 1.00 0.00 O ATOM 758 CG2 THR A 78 -2.500 -2.110 -0.420 1.00 0.00 C ATOM 0 H THR A 78 -3.700 -5.918 0.433 1.00 0.00 H new ATOM 0 HA THR A 78 -4.698 -3.592 -1.051 1.00 0.00 H new ATOM 0 HB THR A 78 -2.056 -4.061 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.129 -3.356 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.865 -1.612 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.939 -2.262 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.374 -1.491 -0.624 1.00 0.00 H new ATOM 761 N ASN A 79 -3.900 -4.320 -3.200 1.00 0.00 N ATOM 762 CA ASN A 79 -3.540 -4.570 -4.610 1.00 0.00 C ATOM 763 C ASN A 79 -2.420 -3.630 -5.070 1.00 0.00 C ATOM 764 O ASN A 79 -2.640 -2.430 -5.240 1.00 0.00 O ATOM 765 CB ASN A 79 -4.840 -4.390 -5.390 1.00 0.00 C ATOM 766 CG ASN A 79 -4.740 -4.450 -6.920 1.00 0.00 C ATOM 767 OD1 ASN A 79 -3.750 -4.840 -7.520 1.00 0.00 O ATOM 768 ND2 ASN A 79 -5.810 -4.030 -7.590 1.00 0.00 N ATOM 0 H ASN A 79 -4.833 -3.920 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.135 -5.569 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.541 -5.158 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.271 -3.428 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.806 -4.033 -8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.634 -3.705 -7.084 1.00 0.00 H new ATOM 772 N PHE A 80 -1.200 -4.160 -5.060 1.00 0.00 N ATOM 773 CA PHE A 80 0.000 -3.470 -5.540 1.00 0.00 C ATOM 774 C PHE A 80 0.120 -3.500 -7.070 1.00 0.00 C ATOM 775 O PHE A 80 0.980 -4.130 -7.680 1.00 0.00 O ATOM 776 CB PHE A 80 1.260 -4.010 -4.870 1.00 0.00 C ATOM 777 CG PHE A 80 1.290 -3.780 -3.360 1.00 0.00 C ATOM 778 CD1 PHE A 80 1.290 -2.490 -2.840 1.00 0.00 C ATOM 779 CD2 PHE A 80 1.280 -4.890 -2.530 1.00 0.00 C ATOM 780 CE1 PHE A 80 1.280 -2.310 -1.460 1.00 0.00 C ATOM 781 CE2 PHE A 80 1.260 -4.710 -1.150 1.00 0.00 C ATOM 782 CZ PHE A 80 1.260 -3.420 -0.630 1.00 0.00 C ATOM 0 H PHE A 80 -1.011 -5.100 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.105 -2.423 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.339 -5.079 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.133 -3.537 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.298 -1.636 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.288 -5.885 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.288 -1.315 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.245 -5.564 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.244 -3.281 0.441 1.00 0.00 H new ATOM 784 N SER A 81 -0.680 -2.590 -7.630 1.00 0.00 N ATOM 785 CA SER A 81 -1.000 -2.480 -9.060 1.00 0.00 C ATOM 786 C SER A 81 -0.100 -1.540 -9.860 1.00 0.00 C ATOM 787 O SER A 81 0.690 -1.990 -10.690 1.00 0.00 O ATOM 788 CB SER A 81 -2.460 -2.050 -9.140 1.00 0.00 C ATOM 789 OG SER A 81 -2.630 -0.990 -8.190 1.00 0.00 O ATOM 0 H SER A 81 -1.146 -1.874 -7.074 1.00 0.00 H new ATOM 0 HA SER A 81 -0.822 -3.449 -9.527 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.709 -1.712 -10.146 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.122 -2.885 -8.911 1.00 0.00 H new ATOM 0 HG SER A 81 -3.499 -0.560 -8.332 1.00 0.00 H new ATOM 792 N ASN A 82 -0.210 -0.240 -9.610 1.00 0.00 N ATOM 793 CA ASN A 82 0.500 0.820 -10.340 1.00 0.00 C ATOM 794 C ASN A 82 1.930 0.970 -9.830 1.00 0.00 C ATOM 795 O ASN A 82 2.280 1.830 -9.020 1.00 0.00 O ATOM 796 CB ASN A 82 -0.280 2.130 -10.270 1.00 0.00 C ATOM 797 CG ASN A 82 -1.680 2.030 -10.890 1.00 0.00 C ATOM 798 OD1 ASN A 82 -2.650 1.660 -10.240 1.00 0.00 O ATOM 799 ND2 ASN A 82 -1.810 2.360 -12.170 1.00 0.00 N ATOM 0 H ASN A 82 -0.813 0.123 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 82 0.568 0.538 -11.391 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.372 2.436 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.283 2.909 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.724 2.307 -12.620 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.996 2.667 -12.703 1.00 0.00 H new ATOM 803 N GLU A 83 2.720 -0.010 -10.270 1.00 0.00 N ATOM 804 CA GLU A 83 4.130 -0.200 -9.910 1.00 0.00 C ATOM 805 C GLU A 83 5.050 0.590 -10.840 1.00 0.00 C ATOM 806 O GLU A 83 5.620 0.090 -11.820 1.00 0.00 O ATOM 807 CB GLU A 83 4.450 -1.700 -9.920 1.00 0.00 C ATOM 808 CG GLU A 83 3.560 -2.480 -8.950 1.00 0.00 C ATOM 809 CD GLU A 83 3.860 -3.980 -8.910 1.00 0.00 C ATOM 810 OE1 GLU A 83 3.870 -4.600 -10.000 1.00 0.00 O ATOM 811 OE2 GLU A 83 4.140 -4.480 -7.800 1.00 0.00 O ATOM 0 H GLU A 83 2.383 -0.725 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 83 4.305 0.187 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.319 -2.092 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.496 -1.850 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.681 -2.068 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.517 -2.335 -9.231 1.00 0.00 H new ATOM 813 N LYS A 84 5.190 1.860 -10.480 1.00 0.00 N ATOM 814 CA LYS A 84 5.910 2.890 -11.240 1.00 0.00 C ATOM 815 C LYS A 84 7.330 3.030 -10.680 1.00 0.00 C ATOM 816 O LYS A 84 7.580 3.650 -9.650 1.00 0.00 O ATOM 817 CB LYS A 84 5.170 4.230 -11.100 1.00 0.00 C ATOM 818 CG LYS A 84 3.710 4.170 -11.550 1.00 0.00 C ATOM 819 CD LYS A 84 2.960 5.420 -11.090 1.00 0.00 C ATOM 820 CE LYS A 84 1.480 5.350 -11.470 1.00 0.00 C ATOM 821 NZ LYS A 84 0.790 6.510 -10.890 1.00 0.00 N ATOM 0 H LYS A 84 4.790 2.222 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 84 5.959 2.607 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.208 4.550 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.692 4.987 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.660 4.087 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.233 3.280 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.056 5.527 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.412 6.304 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.368 5.347 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.038 4.424 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.212 6.493 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.861 6.474 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.231 7.386 -11.237 1.00 0.00 H new ATOM 826 N THR A 85 8.220 2.260 -11.290 1.00 0.00 N ATOM 827 CA THR A 85 9.650 2.300 -10.980 1.00 0.00 C ATOM 828 C THR A 85 10.330 3.540 -11.550 1.00 0.00 C ATOM 829 O THR A 85 10.470 3.730 -12.760 1.00 0.00 O ATOM 830 CB THR A 85 10.400 1.060 -11.480 1.00 0.00 C ATOM 831 OG1 THR A 85 9.890 0.740 -12.780 1.00 0.00 O ATOM 832 CG2 THR A 85 10.330 -0.060 -10.450 1.00 0.00 C ATOM 0 H THR A 85 7.974 1.587 -12.016 1.00 0.00 H new ATOM 0 HA THR A 85 9.700 2.327 -9.891 1.00 0.00 H new ATOM 0 HB THR A 85 11.469 1.240 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.892 -0.232 -12.902 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.868 -0.932 -10.823 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.784 0.275 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.288 -0.326 -10.272 1.00 0.00 H new ATOM 835 N ILE A 86 10.780 4.320 -10.570 1.00 0.00 N ATOM 836 CA ILE A 86 11.380 5.650 -10.740 1.00 0.00 C ATOM 837 C ILE A 86 12.790 5.710 -10.160 1.00 0.00 C ATOM 838 O ILE A 86 13.210 4.920 -9.320 1.00 0.00 O ATOM 839 CB ILE A 86 10.470 6.750 -10.190 1.00 0.00 C ATOM 840 CG1 ILE A 86 9.940 6.510 -8.780 1.00 0.00 C ATOM 841 CG2 ILE A 86 9.280 6.970 -11.130 1.00 0.00 C ATOM 842 CD1 ILE A 86 10.990 6.720 -7.690 1.00 0.00 C ATOM 0 H ILE A 86 10.737 4.034 -9.592 1.00 0.00 H new ATOM 0 HA ILE A 86 11.479 5.834 -11.810 1.00 0.00 H new ATOM 0 HB ILE A 86 11.107 7.632 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.099 7.180 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.557 5.492 -8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.639 7.755 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.644 7.266 -12.114 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.709 6.045 -11.217 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.543 6.532 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.821 6.032 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.356 7.746 -7.730 1.00 0.00 H new ATOM 844 N SER A 87 13.590 6.560 -10.790 1.00 0.00 N ATOM 845 CA SER A 87 14.950 6.890 -10.340 1.00 0.00 C ATOM 846 C SER A 87 14.950 7.960 -9.240 1.00 0.00 C ATOM 847 O SER A 87 14.570 9.100 -9.490 1.00 0.00 O ATOM 848 CB SER A 87 15.820 7.310 -11.520 1.00 0.00 C ATOM 849 OG SER A 87 15.080 8.200 -12.360 1.00 0.00 O ATOM 0 H SER A 87 13.315 7.051 -11.641 1.00 0.00 H new ATOM 0 HA SER A 87 15.378 5.988 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.726 7.798 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.133 6.433 -12.086 1.00 0.00 H new ATOM 0 HG SER A 87 14.633 8.875 -11.808 1.00 0.00 H new ATOM 852 N LYS A 88 15.130 7.450 -8.030 1.00 0.00 N ATOM 853 CA LYS A 88 15.410 8.180 -6.780 1.00 0.00 C ATOM 854 C LYS A 88 14.210 8.440 -5.860 1.00 0.00 C ATOM 855 O LYS A 88 13.070 8.580 -6.300 1.00 0.00 O ATOM 856 CB LYS A 88 16.270 9.430 -6.930 1.00 0.00 C ATOM 857 CG LYS A 88 17.680 9.120 -7.430 1.00 0.00 C ATOM 858 CD LYS A 88 18.470 8.210 -6.490 1.00 0.00 C ATOM 859 CE LYS A 88 19.830 7.820 -7.070 1.00 0.00 C ATOM 860 NZ LYS A 88 20.730 8.990 -7.130 1.00 0.00 N ATOM 0 H LYS A 88 15.083 6.443 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 88 16.020 7.441 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.786 10.118 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.334 9.939 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.614 8.648 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.225 10.055 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.616 8.716 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.891 7.309 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 88 20.281 7.039 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.699 7.405 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.673 8.687 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 20.348 9.688 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.804 9.420 -6.186 1.00 0.00 H new ATOM 865 N LEU A 89 14.510 8.480 -4.560 1.00 0.00 N ATOM 866 CA LEU A 89 13.520 8.580 -3.480 1.00 0.00 C ATOM 867 C LEU A 89 13.460 10.000 -2.910 1.00 0.00 C ATOM 868 O LEU A 89 14.490 10.650 -2.700 1.00 0.00 O ATOM 869 CB LEU A 89 13.870 7.560 -2.410 1.00 0.00 C ATOM 870 CG LEU A 89 12.990 7.560 -1.160 1.00 0.00 C ATOM 871 CD1 LEU A 89 11.530 7.240 -1.470 1.00 0.00 C ATOM 872 CD2 LEU A 89 13.540 6.540 -0.150 1.00 0.00 C ATOM 0 H LEU A 89 15.470 8.443 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 89 12.526 8.364 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.829 6.567 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.902 7.728 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 89 13.017 8.566 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.951 7.253 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.132 7.985 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.463 6.252 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.914 6.538 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.537 5.546 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.560 6.811 0.123 1.00 0.00 H new ATOM 874 N GLU A 90 12.230 10.500 -2.820 1.00 0.00 N ATOM 875 CA GLU A 90 11.900 11.800 -2.230 1.00 0.00 C ATOM 876 C GLU A 90 10.950 11.680 -1.040 1.00 0.00 C ATOM 877 O GLU A 90 11.130 12.340 -0.020 1.00 0.00 O ATOM 878 CB GLU A 90 11.290 12.740 -3.270 1.00 0.00 C ATOM 879 CG GLU A 90 12.220 13.130 -4.420 1.00 0.00 C ATOM 880 CD GLU A 90 12.440 12.000 -5.430 1.00 0.00 C ATOM 881 OE1 GLU A 90 11.420 11.490 -5.940 1.00 0.00 O ATOM 882 OE2 GLU A 90 13.620 11.660 -5.660 1.00 0.00 O ATOM 0 H GLU A 90 11.411 10.000 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 90 12.842 12.215 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.401 12.267 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.961 13.649 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 90 11.804 13.995 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.183 13.436 -4.012 1.00 0.00 H new ATOM 884 N TYR A 91 9.920 10.850 -1.200 1.00 0.00 N ATOM 885 CA TYR A 91 8.900 10.570 -0.180 1.00 0.00 C ATOM 886 C TYR A 91 9.390 9.680 0.960 1.00 0.00 C ATOM 887 O TYR A 91 9.560 8.470 0.830 1.00 0.00 O ATOM 888 CB TYR A 91 7.660 9.940 -0.830 1.00 0.00 C ATOM 889 CG TYR A 91 6.870 10.850 -1.770 1.00 0.00 C ATOM 890 CD1 TYR A 91 6.630 12.180 -1.450 1.00 0.00 C ATOM 891 CD2 TYR A 91 6.270 10.230 -2.870 1.00 0.00 C ATOM 892 CE1 TYR A 91 5.760 12.920 -2.240 1.00 0.00 C ATOM 893 CE2 TYR A 91 5.400 10.970 -3.660 1.00 0.00 C ATOM 894 CZ TYR A 91 5.160 12.300 -3.330 1.00 0.00 C ATOM 895 OH TYR A 91 4.280 12.990 -4.100 1.00 0.00 O ATOM 0 H TYR A 91 9.764 10.337 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 91 8.651 11.533 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.973 9.057 -1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.992 9.598 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.114 12.633 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.479 9.196 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.554 13.955 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.918 10.521 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 91 3.869 12.383 -4.750 1.00 0.00 H new ATOM 898 N SER A 92 9.800 10.400 2.000 1.00 0.00 N ATOM 899 CA SER A 92 10.270 9.860 3.280 1.00 0.00 C ATOM 900 C SER A 92 9.180 9.560 4.320 1.00 0.00 C ATOM 901 O SER A 92 9.360 8.700 5.170 1.00 0.00 O ATOM 902 CB SER A 92 11.210 10.900 3.900 1.00 0.00 C ATOM 903 OG SER A 92 10.540 12.160 3.970 1.00 0.00 O ATOM 0 H SER A 92 9.816 11.420 1.977 1.00 0.00 H new ATOM 0 HA SER A 92 10.738 8.904 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.516 10.582 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.117 10.990 3.302 1.00 0.00 H new ATOM 0 HG SER A 92 11.138 12.827 4.368 1.00 0.00 H new ATOM 906 N ASN A 93 8.030 10.220 4.160 1.00 0.00 N ATOM 907 CA ASN A 93 7.040 10.340 5.230 1.00 0.00 C ATOM 908 C ASN A 93 5.610 10.140 4.730 1.00 0.00 C ATOM 909 O ASN A 93 5.140 10.850 3.840 1.00 0.00 O ATOM 910 CB ASN A 93 7.210 11.690 5.940 1.00 0.00 C ATOM 911 CG ASN A 93 6.860 12.920 5.110 1.00 0.00 C ATOM 912 OD1 ASN A 93 5.820 13.560 5.290 1.00 0.00 O ATOM 913 ND2 ASN A 93 7.750 13.370 4.230 1.00 0.00 N ATOM 0 H ASN A 93 7.761 10.683 3.291 1.00 0.00 H new ATOM 0 HA ASN A 93 7.218 9.538 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.589 11.690 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 93 8.245 11.779 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.568 14.232 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.615 12.853 4.069 1.00 0.00 H new ATOM 917 N PHE A 94 5.050 9.000 5.110 1.00 0.00 N ATOM 918 CA PHE A 94 3.620 8.720 4.890 1.00 0.00 C ATOM 919 C PHE A 94 2.750 9.650 5.730 1.00 0.00 C ATOM 920 O PHE A 94 2.920 9.750 6.940 1.00 0.00 O ATOM 921 CB PHE A 94 3.290 7.260 5.210 1.00 0.00 C ATOM 922 CG PHE A 94 2.060 6.680 4.510 1.00 0.00 C ATOM 923 CD1 PHE A 94 1.350 7.400 3.550 1.00 0.00 C ATOM 924 CD2 PHE A 94 1.830 5.320 4.670 1.00 0.00 C ATOM 925 CE1 PHE A 94 0.460 6.750 2.710 1.00 0.00 C ATOM 926 CE2 PHE A 94 0.940 4.660 3.840 1.00 0.00 C ATOM 927 CZ PHE A 94 0.270 5.380 2.860 1.00 0.00 C ATOM 0 H PHE A 94 5.557 8.247 5.574 1.00 0.00 H new ATOM 0 HA PHE A 94 3.406 8.899 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.154 6.648 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.147 7.168 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.494 8.467 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.348 4.775 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.078 7.298 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.769 3.600 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.413 4.866 2.200 1.00 0.00 H new ATOM 929 N SER A 95 1.830 10.340 5.050 1.00 0.00 N ATOM 930 CA SER A 95 0.850 11.250 5.660 1.00 0.00 C ATOM 931 C SER A 95 -0.480 11.370 4.920 1.00 0.00 C ATOM 932 O SER A 95 -0.550 11.790 3.770 1.00 0.00 O ATOM 933 CB SER A 95 1.440 12.650 5.840 1.00 0.00 C ATOM 934 OG SER A 95 0.490 13.490 6.500 1.00 0.00 O ATOM 0 H SER A 95 1.742 10.282 4.035 1.00 0.00 H new ATOM 0 HA SER A 95 0.627 10.789 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.359 12.596 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.702 13.073 4.870 1.00 0.00 H new ATOM 0 HG SER A 95 0.870 14.386 6.616 1.00 0.00 H new ATOM 937 N VAL A 96 -1.490 10.830 5.600 1.00 0.00 N ATOM 938 CA VAL A 96 -2.940 11.050 5.430 1.00 0.00 C ATOM 939 C VAL A 96 -3.570 10.980 4.040 1.00 0.00 C ATOM 940 O VAL A 96 -2.940 10.610 3.050 1.00 0.00 O ATOM 941 CB VAL A 96 -3.440 12.250 6.230 1.00 0.00 C ATOM 942 CG1 VAL A 96 -3.330 12.000 7.740 1.00 0.00 C ATOM 943 CG2 VAL A 96 -2.810 13.590 5.840 1.00 0.00 C ATOM 0 H VAL A 96 -1.306 10.167 6.353 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.320 10.121 5.855 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.493 12.346 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.694 12.873 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.929 11.130 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.288 11.818 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.227 14.383 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.731 13.542 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.023 13.801 4.792 1.00 0.00 H new ATOM 945 N ARG A 97 -4.880 11.220 4.030 1.00 0.00 N ATOM 946 CA ARG A 97 -5.720 11.140 2.820 1.00 0.00 C ATOM 947 C ARG A 97 -6.140 12.510 2.270 1.00 0.00 C ATOM 948 O ARG A 97 -6.520 13.420 3.000 1.00 0.00 O ATOM 949 CB ARG A 97 -6.990 10.320 3.060 1.00 0.00 C ATOM 950 CG ARG A 97 -6.680 8.830 3.200 1.00 0.00 C ATOM 951 CD ARG A 97 -7.950 8.010 2.980 1.00 0.00 C ATOM 952 NE ARG A 97 -7.660 6.590 3.200 1.00 0.00 N ATOM 953 CZ ARG A 97 -8.340 5.760 4.000 1.00 0.00 C ATOM 954 NH1 ARG A 97 -9.400 6.170 4.710 1.00 0.00 N ATOM 955 NH2 ARG A 97 -8.020 4.460 4.040 1.00 0.00 N ATOM 0 H ARG A 97 -5.401 11.479 4.868 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.084 10.650 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.488 10.675 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.683 10.472 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.919 8.539 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.272 8.626 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.733 8.342 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.324 8.163 1.968 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.865 6.197 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.710 7.140 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.897 5.512 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.259 4.104 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.537 3.826 4.649 1.00 0.00 H new ATOM 962 N TYR A 98 -6.090 12.560 0.940 1.00 0.00 N ATOM 963 CA TYR A 98 -6.430 13.740 0.130 1.00 0.00 C ATOM 964 C TYR A 98 -7.490 13.460 -0.940 1.00 0.00 C ATOM 965 O TYR A 98 -7.320 12.480 -1.690 1.00 0.00 O ATOM 966 CB TYR A 98 -5.160 14.290 -0.520 1.00 0.00 C ATOM 967 CG TYR A 98 -4.090 14.680 0.500 1.00 0.00 C ATOM 968 CD1 TYR A 98 -4.190 15.920 1.120 1.00 0.00 C ATOM 969 CD2 TYR A 98 -3.130 13.750 0.870 1.00 0.00 C ATOM 970 CE1 TYR A 98 -3.310 16.230 2.150 1.00 0.00 C ATOM 971 CE2 TYR A 98 -2.250 14.050 1.900 1.00 0.00 C ATOM 972 CZ TYR A 98 -2.360 15.290 2.520 1.00 0.00 C ATOM 973 OH TYR A 98 -1.510 15.590 3.540 1.00 0.00 O ATOM 974 OXT TYR A 98 -8.450 14.260 -1.010 1.00 0.00 O ATOM 0 H TYR A 98 -5.804 11.760 0.375 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.866 14.477 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.752 13.541 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.415 15.162 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.940 16.631 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.068 12.800 0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.365 17.184 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.499 13.339 2.212 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.900 14.838 3.690 1.00 0.00 H new TER 977 TYR A 98