USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1051 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 107 ASN : amide:sc= 0.0613 K(o=0.29,f=-2.4!) USER MOD Set 1.2: A 109 SER OG : rot -160:sc= 0.232 USER MOD Set 2.1: A 60 MET CE :methyl -160:sc= -0.049 (180deg=-0.424) USER MOD Set 2.2: A 92 SER OG : rot -121:sc= 1.15 USER MOD Set 2.3: A 95 HIS : no HD1:sc= 0.538 K(o=1.6,f=-6.3!) USER MOD Set 3.1: A 85 ASN : amide:sc= -0.586 K(o=-1.8,f=-4.7) USER MOD Set 3.2: A 86 HIS : no HD1:sc= -1.21 X(o=-1.8,f=-2) USER MOD Set 4.1: A 48 TYR OH : rot 15:sc= 2 USER MOD Set 4.2: A 50 LYS NZ :NH3+ -164:sc= 0.552 (180deg=-0.0625) USER MOD Set 4.3: A 57 TYR OH : rot 180:sc= 0.834 USER MOD Set 5.1: A 40 SER OG : rot 67:sc= 1.04 USER MOD Set 5.2: A 132 SER OG : rot -161:sc= -1.95! USER MOD Set 6.1: A 36 GLN : amide:sc= 0.0458 X(o=-1.3,f=-0.89) USER MOD Set 6.2: A 38 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.4!) USER MOD Set 7.1: A 34 HIS : no HD1:sc= 0.327 K(o=1.6,f=-9.9!) USER MOD Set 7.2: A 52 THR OG1 : rot -135:sc= 1.28 USER MOD Set 8.1: A 33 GLN : amide:sc= 0.667 K(o=1.7,f=-1.6!) USER MOD Set 8.2: A 51 SER OG : rot 80:sc= 0.99 USER MOD Set 9.1: A 11 ASN : amide:sc= -1.49 K(o=-0.54,f=-20!) USER MOD Set 9.2: A 105 LYS NZ :NH3+ -175:sc= 0.951 (180deg=0) USER MOD Set10.1: A 8 TYR OH : rot -134:sc= 1.15 USER MOD Set10.2: A 14 HIS :FLIP no HD1:sc= -0.383 F(o=-0.15,f=0.77) USER MOD Set11.1: A 5 LYS NZ :NH3+ 161:sc= 2.87 (180deg=1.5) USER MOD Set11.2: A 131 SER OG : rot -161:sc= -1.52! USER MOD Set12.1: A 1 TYR OH : rot 180:sc= 0.788 USER MOD Set12.2: A 2 LYS NZ :NH3+ 175:sc= 0.942 (180deg=0) USER MOD Single : A 1 TYR N :NH3+ -148:sc= 0.162 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0219) USER MOD Single : A 9 CYS SG : rot -130:sc= -0.177 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -7:sc= 1.09 USER MOD Single : A 27 THR OG1 : rot 14:sc= -0.173 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -92:sc= 1.01 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.744! K(o=-0.74!,f=-1.4) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -140:sc= 1.26 USER MOD Single : A 69 SER OG : rot 28:sc= 0.202 USER MOD Single : A 70 GLN : amide:sc= -0.697 K(o=-0.7,f=-2) USER MOD Single : A 71 THR OG1 : rot 13:sc= 0.803 USER MOD Single : A 73 ASN : amide:sc= -0.132 K(o=-0.13,f=-9.3!) USER MOD Single : A 76 CYS SG : rot 38:sc= 0.881 USER MOD Single : A 87 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.558 F(o=-4.2!,f=-0.56) USER MOD Single : A 89 THR OG1 : rot 140:sc= -1.59! USER MOD Single : A 90 TYR OH : rot 15:sc= 0.45 USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= 1.08 (180deg=-0.509) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.783) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0621 K(o=-0.062,f=-5.7!) USER MOD Single : A 106 LYS NZ :NH3+ -156:sc= 2.27 (180deg=0.735) USER MOD Single : A 110 CYS SG : rot 150:sc= -0.227 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 130:sc= -0.0914 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -1.6 F(o=-2.3,f=-1.6) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.023) USER MOD Single : A 121 LYS NZ :NH3+ 163:sc= 2.04 (180deg=1.59) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.996 -1.395 -9.282 1.00 0.54 N ATOM 2 CA TYR A 1 14.806 -1.978 -8.612 1.00 0.51 C ATOM 3 C TYR A 1 14.449 -1.215 -7.331 1.00 0.43 C ATOM 4 O TYR A 1 13.299 -0.816 -7.143 1.00 0.59 O ATOM 5 CB TYR A 1 15.028 -3.474 -8.309 1.00 0.57 C ATOM 6 CG TYR A 1 15.986 -3.767 -7.167 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.360 -3.811 -7.375 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.510 -4.006 -5.884 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.231 -4.083 -6.334 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.373 -4.280 -4.841 1.00 0.65 C ATOM 11 CZ TYR A 1 17.731 -4.317 -5.069 1.00 0.85 C ATOM 12 OH TYR A 1 18.595 -4.589 -4.029 1.00 1.08 O ATOM 0 H1 TYR A 1 15.910 -1.517 -10.311 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.059 -0.381 -9.058 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.854 -1.877 -8.947 1.00 0.54 H new ATOM 0 HA TYR A 1 13.964 -1.884 -9.298 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.064 -3.929 -8.079 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.403 -3.959 -9.210 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.754 -3.630 -8.364 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.446 -3.977 -5.699 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.296 -4.112 -6.511 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.985 -4.465 -3.850 1.00 0.65 H new ATOM 0 HH TYR A 1 18.082 -4.728 -3.206 1.00 1.08 H new ATOM 24 N LYS A 2 15.428 -0.989 -6.457 1.00 0.35 N ATOM 25 CA LYS A 2 15.171 -0.287 -5.206 1.00 0.39 C ATOM 26 C LYS A 2 15.385 1.217 -5.354 1.00 0.34 C ATOM 27 O LYS A 2 16.509 1.678 -5.559 1.00 0.48 O ATOM 28 CB LYS A 2 16.044 -0.842 -4.073 1.00 0.54 C ATOM 29 CG LYS A 2 17.542 -0.795 -4.347 1.00 0.73 C ATOM 30 CD LYS A 2 18.320 -1.526 -3.262 1.00 1.05 C ATOM 31 CE LYS A 2 19.779 -1.735 -3.648 1.00 1.15 C ATOM 32 NZ LYS A 2 20.324 -2.995 -3.074 1.00 1.40 N ATOM 0 H LYS A 2 16.396 -1.279 -6.592 1.00 0.35 H new ATOM 0 HA LYS A 2 14.125 -0.455 -4.950 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.836 -0.279 -3.163 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.755 -1.875 -3.882 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.752 -1.247 -5.317 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.873 0.242 -4.400 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.269 -0.957 -2.333 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.854 -2.492 -3.070 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.868 -1.761 -4.734 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.372 -0.890 -3.300 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.291 -3.147 -3.426 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 20.340 -2.925 -2.036 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.722 -3.794 -3.358 1.00 1.40 H new ATOM 46 N LYS A 3 14.289 1.964 -5.264 1.00 0.28 N ATOM 47 CA LYS A 3 14.316 3.419 -5.366 1.00 0.26 C ATOM 48 C LYS A 3 13.209 4.017 -4.500 1.00 0.26 C ATOM 49 O LYS A 3 12.237 3.332 -4.180 1.00 0.29 O ATOM 50 CB LYS A 3 14.144 3.865 -6.823 1.00 0.30 C ATOM 51 CG LYS A 3 15.411 3.738 -7.656 1.00 0.49 C ATOM 52 CD LYS A 3 15.212 4.282 -9.062 1.00 0.55 C ATOM 53 CE LYS A 3 16.511 4.270 -9.858 1.00 0.78 C ATOM 54 NZ LYS A 3 17.010 2.889 -10.101 1.00 1.18 N ATOM 0 H LYS A 3 13.356 1.577 -5.118 1.00 0.28 H new ATOM 0 HA LYS A 3 15.283 3.775 -5.012 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.355 3.271 -7.285 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.812 4.903 -6.839 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.224 4.277 -7.168 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.709 2.691 -7.709 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.462 3.685 -9.581 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.828 5.301 -9.007 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.354 4.771 -10.813 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.270 4.839 -9.320 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 17.837 2.925 -10.730 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.282 2.454 -9.196 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.260 2.322 -10.547 1.00 1.18 H new ATOM 68 N PRO A 4 13.353 5.291 -4.098 1.00 0.28 N ATOM 69 CA PRO A 4 12.360 5.981 -3.267 1.00 0.30 C ATOM 70 C PRO A 4 10.971 5.989 -3.910 1.00 0.27 C ATOM 71 O PRO A 4 10.629 6.893 -4.676 1.00 0.35 O ATOM 72 CB PRO A 4 12.918 7.405 -3.146 1.00 0.35 C ATOM 73 CG PRO A 4 14.377 7.264 -3.407 1.00 0.43 C ATOM 74 CD PRO A 4 14.500 6.158 -4.413 1.00 0.37 C ATOM 0 HA PRO A 4 12.219 5.490 -2.304 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.450 8.076 -3.866 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.731 7.820 -2.156 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.798 8.193 -3.792 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.918 7.024 -2.492 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.452 6.535 -5.435 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.446 5.626 -4.314 1.00 0.37 H new ATOM 82 N LYS A 5 10.189 4.958 -3.610 1.00 0.24 N ATOM 83 CA LYS A 5 8.838 4.831 -4.143 1.00 0.22 C ATOM 84 C LYS A 5 7.834 5.515 -3.213 1.00 0.25 C ATOM 85 O LYS A 5 8.160 5.859 -2.079 1.00 0.48 O ATOM 86 CB LYS A 5 8.482 3.342 -4.309 1.00 0.24 C ATOM 87 CG LYS A 5 7.146 3.084 -4.999 1.00 0.24 C ATOM 88 CD LYS A 5 6.935 1.599 -5.269 1.00 0.34 C ATOM 89 CE LYS A 5 5.552 1.326 -5.845 1.00 0.35 C ATOM 90 NZ LYS A 5 5.611 0.756 -7.219 1.00 0.40 N ATOM 0 H LYS A 5 10.470 4.193 -2.996 1.00 0.24 H new ATOM 0 HA LYS A 5 8.794 5.318 -5.117 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.272 2.854 -4.880 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.465 2.874 -3.325 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.335 3.461 -4.376 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.108 3.635 -5.939 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.696 1.243 -5.963 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.061 1.038 -4.343 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.019 0.636 -5.191 1.00 0.35 H new ATOM 0 HE3 LYS A 5 4.980 2.254 -5.864 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.706 0.295 -7.443 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.790 1.518 -7.904 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.378 0.056 -7.272 1.00 0.40 H new ATOM 104 N LEU A 6 6.624 5.730 -3.709 1.00 0.22 N ATOM 105 CA LEU A 6 5.565 6.341 -2.917 1.00 0.23 C ATOM 106 C LEU A 6 4.214 5.763 -3.325 1.00 0.22 C ATOM 107 O LEU A 6 4.040 5.328 -4.469 1.00 0.25 O ATOM 108 CB LEU A 6 5.567 7.869 -3.066 1.00 0.27 C ATOM 109 CG LEU A 6 5.333 8.405 -4.484 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.739 9.805 -4.426 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.636 8.413 -5.274 1.00 0.50 C ATOM 0 H LEU A 6 6.350 5.489 -4.661 1.00 0.22 H new ATOM 0 HA LEU A 6 5.747 6.113 -1.867 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.798 8.279 -2.412 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.524 8.248 -2.709 1.00 0.27 H new ATOM 0 HG LEU A 6 4.628 7.747 -4.992 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.578 10.174 -5.439 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.788 9.775 -3.895 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.426 10.470 -3.903 1.00 0.45 H new ATOM 0 HD21 LEU A 6 6.451 8.796 -6.277 1.00 0.50 H new ATOM 0 HD22 LEU A 6 7.363 9.050 -4.771 1.00 0.50 H new ATOM 0 HD23 LEU A 6 7.028 7.398 -5.340 1.00 0.50 H new ATOM 123 N LEU A 7 3.277 5.745 -2.385 1.00 0.24 N ATOM 124 CA LEU A 7 1.940 5.216 -2.628 1.00 0.26 C ATOM 125 C LEU A 7 0.913 6.345 -2.592 1.00 0.22 C ATOM 126 O LEU A 7 0.378 6.681 -1.534 1.00 0.24 O ATOM 127 CB LEU A 7 1.597 4.150 -1.581 1.00 0.32 C ATOM 128 CG LEU A 7 0.175 3.585 -1.653 1.00 0.36 C ATOM 129 CD1 LEU A 7 -0.037 2.827 -2.954 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.096 2.684 -0.457 1.00 0.46 C ATOM 0 H LEU A 7 3.421 6.095 -1.438 1.00 0.24 H new ATOM 0 HA LEU A 7 1.917 4.756 -3.616 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.302 3.325 -1.684 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.749 4.578 -0.590 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.529 4.417 -1.627 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.053 2.434 -2.985 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.117 3.501 -3.797 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.673 2.002 -3.014 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.110 2.289 -0.521 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.615 1.858 -0.455 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.012 3.258 0.463 1.00 0.46 H new ATOM 142 N TYR A 8 0.639 6.928 -3.750 1.00 0.22 N ATOM 143 CA TYR A 8 -0.300 8.034 -3.840 1.00 0.21 C ATOM 144 C TYR A 8 -1.733 7.531 -3.996 1.00 0.21 C ATOM 145 O TYR A 8 -2.027 6.718 -4.873 1.00 0.29 O ATOM 146 CB TYR A 8 0.073 8.940 -5.015 1.00 0.24 C ATOM 147 CG TYR A 8 -0.255 10.398 -4.787 1.00 0.28 C ATOM 148 CD1 TYR A 8 0.628 11.225 -4.107 1.00 0.46 C ATOM 149 CD2 TYR A 8 -1.445 10.945 -5.250 1.00 0.37 C ATOM 150 CE1 TYR A 8 0.336 12.557 -3.895 1.00 0.56 C ATOM 151 CE2 TYR A 8 -1.745 12.277 -5.042 1.00 0.46 C ATOM 152 CZ TYR A 8 -0.852 13.079 -4.364 1.00 0.50 C ATOM 153 OH TYR A 8 -1.146 14.406 -4.150 1.00 0.63 O ATOM 0 H TYR A 8 1.054 6.653 -4.640 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.244 8.605 -2.913 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.141 8.844 -5.212 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.448 8.595 -5.908 1.00 0.24 H new ATOM 0 HD1 TYR A 8 1.559 10.820 -3.738 1.00 0.46 H new ATOM 0 HD2 TYR A 8 -2.147 10.319 -5.781 1.00 0.37 H new ATOM 0 HE1 TYR A 8 1.034 13.188 -3.365 1.00 0.56 H new ATOM 0 HE2 TYR A 8 -2.674 12.688 -5.408 1.00 0.46 H new ATOM 0 HH TYR A 8 -2.070 14.490 -3.835 1.00 0.63 H new ATOM 163 N CYS A 9 -2.615 8.009 -3.130 1.00 0.23 N ATOM 164 CA CYS A 9 -4.022 7.630 -3.175 1.00 0.27 C ATOM 165 C CYS A 9 -4.859 8.806 -3.667 1.00 0.28 C ATOM 166 O CYS A 9 -4.722 9.926 -3.170 1.00 0.30 O ATOM 167 CB CYS A 9 -4.500 7.181 -1.794 1.00 0.30 C ATOM 168 SG CYS A 9 -3.611 5.751 -1.134 1.00 0.37 S ATOM 0 H CYS A 9 -2.380 8.663 -2.384 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.139 6.796 -3.867 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.397 8.013 -1.097 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.562 6.941 -1.849 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.465 4.860 -0.725 1.00 0.37 H new ATOM 174 N SER A 10 -5.713 8.556 -4.650 1.00 0.37 N ATOM 175 CA SER A 10 -6.557 9.604 -5.206 1.00 0.42 C ATOM 176 C SER A 10 -7.742 9.898 -4.281 1.00 0.39 C ATOM 177 O SER A 10 -8.813 9.301 -4.410 1.00 0.51 O ATOM 178 CB SER A 10 -7.050 9.196 -6.599 1.00 0.56 C ATOM 179 OG SER A 10 -7.460 10.324 -7.356 1.00 1.23 O ATOM 0 H SER A 10 -5.839 7.639 -5.078 1.00 0.37 H new ATOM 0 HA SER A 10 -5.965 10.515 -5.294 1.00 0.42 H new ATOM 0 HB2 SER A 10 -6.255 8.671 -7.128 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.883 8.499 -6.502 1.00 0.56 H new ATOM 0 HG SER A 10 -7.767 10.031 -8.239 1.00 1.23 H new ATOM 185 N ASN A 11 -7.533 10.801 -3.324 1.00 0.33 N ATOM 186 CA ASN A 11 -8.594 11.173 -2.390 1.00 0.36 C ATOM 187 C ASN A 11 -8.484 12.645 -1.978 1.00 0.35 C ATOM 188 O ASN A 11 -8.859 13.019 -0.861 1.00 0.47 O ATOM 189 CB ASN A 11 -8.560 10.272 -1.150 1.00 0.44 C ATOM 190 CG ASN A 11 -9.922 10.141 -0.485 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.051 10.287 0.734 1.00 0.63 O ATOM 192 ND2 ASN A 11 -10.946 9.838 -1.273 1.00 0.75 N ATOM 0 H ASN A 11 -6.647 11.285 -3.176 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.547 11.035 -2.900 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.202 9.283 -1.434 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -7.846 10.675 -0.432 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.878 9.718 -0.875 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.801 9.725 -2.276 1.00 0.75 H new ATOM 199 N GLY A 12 -7.987 13.478 -2.887 1.00 0.38 N ATOM 200 CA GLY A 12 -7.845 14.892 -2.601 1.00 0.45 C ATOM 201 C GLY A 12 -6.781 15.172 -1.558 1.00 0.46 C ATOM 202 O GLY A 12 -7.093 15.377 -0.378 1.00 0.87 O ATOM 0 H GLY A 12 -7.680 13.197 -3.818 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.595 15.422 -3.520 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.800 15.287 -2.255 1.00 0.45 H new ATOM 206 N GLY A 13 -5.524 15.177 -1.991 1.00 0.38 N ATOM 207 CA GLY A 13 -4.420 15.435 -1.088 1.00 0.36 C ATOM 208 C GLY A 13 -3.191 14.620 -1.434 1.00 0.31 C ATOM 209 O GLY A 13 -3.048 14.152 -2.565 1.00 0.40 O ATOM 0 H GLY A 13 -5.251 15.005 -2.959 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.170 16.496 -1.117 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.728 15.208 -0.067 1.00 0.36 H new ATOM 213 N HIS A 14 -2.315 14.440 -0.456 1.00 0.26 N ATOM 214 CA HIS A 14 -1.085 13.678 -0.637 1.00 0.24 C ATOM 215 C HIS A 14 -0.987 12.609 0.444 1.00 0.22 C ATOM 216 O HIS A 14 -1.349 12.858 1.596 1.00 0.30 O ATOM 217 CB HIS A 14 0.137 14.600 -0.571 1.00 0.28 C ATOM 218 CG HIS A 14 0.201 15.616 -1.671 1.00 0.38 C ATOM 219 ND1 HIS A 14 1.007 15.694 -2.756 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.628 16.717 -1.734 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.654 16.825 -3.444 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.335 17.424 -2.811 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.435 14.817 0.484 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.106 13.205 -1.619 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.135 15.119 0.388 1.00 0.28 H new ATOM 0 HB3 HIS A 14 1.040 13.990 -0.602 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.396 16.962 -1.016 1.00 0.53 H new ATOM 0 HE1 HIS A 14 1.113 17.171 -4.359 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.795 18.286 -3.103 1.00 0.66 H new ATOM 231 N PHE A 15 -0.501 11.427 0.082 1.00 0.20 N ATOM 232 CA PHE A 15 -0.380 10.326 1.034 1.00 0.21 C ATOM 233 C PHE A 15 0.963 9.618 0.882 1.00 0.21 C ATOM 234 O PHE A 15 1.349 9.252 -0.227 1.00 0.23 O ATOM 235 CB PHE A 15 -1.525 9.324 0.828 1.00 0.27 C ATOM 236 CG PHE A 15 -2.886 9.964 0.795 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.385 10.510 -0.381 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.666 10.027 1.938 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.632 11.102 -0.412 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.914 10.622 1.910 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.397 11.159 0.735 1.00 0.45 C ATOM 0 H PHE A 15 -0.184 11.205 -0.862 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.439 10.739 2.041 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.363 8.786 -0.106 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.499 8.586 1.629 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.790 10.471 -1.282 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.295 9.607 2.861 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.009 11.520 -1.334 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.511 10.666 2.809 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.372 11.623 0.713 1.00 0.45 H new ATOM 251 N LEU A 16 1.676 9.448 1.999 1.00 0.20 N ATOM 252 CA LEU A 16 2.977 8.771 1.987 1.00 0.22 C ATOM 253 C LEU A 16 3.650 8.789 3.368 1.00 0.23 C ATOM 254 O LEU A 16 4.874 8.882 3.467 1.00 0.33 O ATOM 255 CB LEU A 16 3.905 9.402 0.931 1.00 0.23 C ATOM 256 CG LEU A 16 3.963 10.934 0.925 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.983 11.446 1.933 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.284 11.446 -0.474 1.00 0.45 C ATOM 0 H LEU A 16 1.376 9.768 2.920 1.00 0.20 H new ATOM 0 HA LEU A 16 2.796 7.729 1.725 1.00 0.22 H new ATOM 0 HB2 LEU A 16 4.914 9.019 1.086 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.584 9.065 -0.055 1.00 0.23 H new ATOM 0 HG LEU A 16 2.984 11.314 1.218 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.004 12.536 1.908 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.706 11.111 2.933 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.970 11.058 1.681 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.322 12.535 -0.463 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.249 11.053 -0.793 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.511 11.117 -1.168 1.00 0.45 H new ATOM 270 N ARG A 17 2.863 8.669 4.438 1.00 0.24 N ATOM 271 CA ARG A 17 3.426 8.675 5.784 1.00 0.26 C ATOM 272 C ARG A 17 2.969 7.456 6.573 1.00 0.22 C ATOM 273 O ARG A 17 1.796 7.079 6.535 1.00 0.29 O ATOM 274 CB ARG A 17 3.061 9.956 6.534 1.00 0.34 C ATOM 275 CG ARG A 17 3.613 10.001 7.955 1.00 0.47 C ATOM 276 CD ARG A 17 3.435 11.372 8.591 1.00 0.53 C ATOM 277 NE ARG A 17 2.027 11.736 8.741 1.00 0.54 N ATOM 278 CZ ARG A 17 1.599 12.884 9.274 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.467 13.747 9.801 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.299 13.159 9.298 1.00 0.86 N ATOM 0 H ARG A 17 1.849 8.568 4.399 1.00 0.24 H new ATOM 0 HA ARG A 17 4.511 8.636 5.683 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.438 10.814 5.978 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.976 10.051 6.570 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.109 9.250 8.564 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.672 9.742 7.941 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.917 11.382 9.569 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.939 12.121 7.980 1.00 0.53 H new ATOM 0 HE ARG A 17 1.325 11.070 8.418 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.464 13.533 9.799 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.134 14.622 10.206 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.370 12.494 8.910 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.030 14.035 9.705 1.00 0.86 H new ATOM 294 N ILE A 18 3.912 6.849 7.284 1.00 0.21 N ATOM 295 CA ILE A 18 3.643 5.673 8.098 1.00 0.20 C ATOM 296 C ILE A 18 4.131 5.907 9.528 1.00 0.20 C ATOM 297 O ILE A 18 5.269 6.335 9.741 1.00 0.26 O ATOM 298 CB ILE A 18 4.320 4.410 7.508 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.051 3.187 8.388 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.818 4.625 7.335 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.647 2.639 8.247 1.00 0.33 C ATOM 0 H ILE A 18 4.883 7.159 7.312 1.00 0.21 H new ATOM 0 HA ILE A 18 2.566 5.506 8.103 1.00 0.20 H new ATOM 0 HB ILE A 18 3.887 4.227 6.525 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.765 2.403 8.136 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.225 3.454 9.430 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.269 3.724 6.920 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.990 5.462 6.658 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.269 4.843 8.303 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.527 1.774 8.899 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.927 3.407 8.528 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.475 2.341 7.213 1.00 0.33 H new ATOM 313 N LEU A 19 3.265 5.645 10.497 1.00 0.21 N ATOM 314 CA LEU A 19 3.605 5.833 11.901 1.00 0.24 C ATOM 315 C LEU A 19 4.139 4.532 12.494 1.00 0.23 C ATOM 316 O LEU A 19 3.487 3.487 12.390 1.00 0.22 O ATOM 317 CB LEU A 19 2.384 6.316 12.697 1.00 0.30 C ATOM 318 CG LEU A 19 1.918 7.751 12.396 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.049 8.744 12.620 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.379 7.868 10.975 1.00 0.48 C ATOM 0 H LEU A 19 2.319 5.300 10.336 1.00 0.21 H new ATOM 0 HA LEU A 19 4.381 6.596 11.966 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.555 5.636 12.503 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.614 6.244 13.760 1.00 0.30 H new ATOM 0 HG LEU A 19 1.108 7.989 13.085 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.697 9.752 12.401 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.379 8.692 13.658 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.883 8.500 11.962 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.057 8.893 10.791 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.162 7.601 10.266 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.531 7.194 10.851 1.00 0.48 H new ATOM 332 N PRO A 20 5.326 4.587 13.135 1.00 0.29 N ATOM 333 CA PRO A 20 5.977 3.417 13.746 1.00 0.33 C ATOM 334 C PRO A 20 5.026 2.564 14.592 1.00 0.30 C ATOM 335 O PRO A 20 5.233 1.359 14.748 1.00 0.36 O ATOM 336 CB PRO A 20 7.079 4.025 14.631 1.00 0.41 C ATOM 337 CG PRO A 20 6.863 5.505 14.598 1.00 0.55 C ATOM 338 CD PRO A 20 6.144 5.794 13.317 1.00 0.38 C ATOM 0 HA PRO A 20 6.350 2.736 12.981 1.00 0.33 H new ATOM 0 HB2 PRO A 20 7.016 3.644 15.650 1.00 0.41 H new ATOM 0 HB3 PRO A 20 8.069 3.766 14.255 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.276 5.832 15.456 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.813 6.038 14.640 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.532 6.693 13.389 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.836 5.945 12.488 1.00 0.38 H new ATOM 346 N ASP A 21 3.997 3.195 15.152 1.00 0.27 N ATOM 347 CA ASP A 21 3.013 2.486 15.967 1.00 0.30 C ATOM 348 C ASP A 21 2.252 1.457 15.134 1.00 0.29 C ATOM 349 O ASP A 21 1.760 0.460 15.668 1.00 0.41 O ATOM 350 CB ASP A 21 2.015 3.466 16.594 1.00 0.36 C ATOM 351 CG ASP A 21 2.567 4.174 17.814 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.957 3.492 18.784 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.594 5.420 17.817 1.00 0.95 O ATOM 0 H ASP A 21 3.823 4.195 15.057 1.00 0.27 H new ATOM 0 HA ASP A 21 3.556 1.971 16.759 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.727 4.208 15.850 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.110 2.926 16.873 1.00 0.36 H new ATOM 358 N GLY A 22 2.164 1.702 13.828 1.00 0.24 N ATOM 359 CA GLY A 22 1.456 0.800 12.941 1.00 0.27 C ATOM 360 C GLY A 22 0.259 1.465 12.292 1.00 0.27 C ATOM 361 O GLY A 22 -0.876 1.021 12.466 1.00 0.35 O ATOM 0 H GLY A 22 2.574 2.515 13.369 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.136 0.444 12.167 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.125 -0.074 13.502 1.00 0.27 H new ATOM 365 N THR A 23 0.499 2.547 11.560 1.00 0.24 N ATOM 366 CA THR A 23 -0.578 3.268 10.887 1.00 0.27 C ATOM 367 C THR A 23 -0.028 4.154 9.770 1.00 0.22 C ATOM 368 O THR A 23 0.992 4.820 9.948 1.00 0.25 O ATOM 369 CB THR A 23 -1.386 4.139 11.885 1.00 0.34 C ATOM 370 OG1 THR A 23 -2.069 3.312 12.847 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.405 5.011 11.158 1.00 0.43 C ATOM 0 H THR A 23 1.427 2.945 11.417 1.00 0.24 H new ATOM 0 HA THR A 23 -1.244 2.520 10.456 1.00 0.27 H new ATOM 0 HB THR A 23 -0.675 4.784 12.402 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.971 2.370 12.597 1.00 0.47 H new ATOM 0 HG21 THR A 23 -2.955 5.610 11.884 1.00 0.43 H new ATOM 0 HG22 THR A 23 -1.888 5.671 10.461 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.101 4.377 10.609 1.00 0.43 H new ATOM 379 N VAL A 24 -0.703 4.143 8.625 1.00 0.25 N ATOM 380 CA VAL A 24 -0.301 4.947 7.474 1.00 0.24 C ATOM 381 C VAL A 24 -1.328 6.051 7.236 1.00 0.28 C ATOM 382 O VAL A 24 -2.535 5.810 7.352 1.00 0.37 O ATOM 383 CB VAL A 24 -0.155 4.079 6.199 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.470 3.394 5.845 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.348 4.912 5.029 1.00 0.32 C ATOM 0 H VAL A 24 -1.539 3.580 8.468 1.00 0.25 H new ATOM 0 HA VAL A 24 0.672 5.388 7.691 1.00 0.24 H new ATOM 0 HB VAL A 24 0.582 3.304 6.409 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.336 2.792 4.946 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.779 2.751 6.669 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.236 4.148 5.666 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.442 4.280 4.146 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.358 5.717 4.825 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.321 5.337 5.276 1.00 0.32 H new ATOM 395 N ASP A 25 -0.862 7.253 6.910 1.00 0.28 N ATOM 396 CA ASP A 25 -1.768 8.376 6.689 1.00 0.35 C ATOM 397 C ASP A 25 -1.268 9.320 5.590 1.00 0.27 C ATOM 398 O ASP A 25 -0.263 9.049 4.920 1.00 0.26 O ATOM 399 CB ASP A 25 -1.989 9.144 8.000 1.00 0.50 C ATOM 400 CG ASP A 25 -0.971 10.246 8.234 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.242 9.965 8.219 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.391 11.406 8.452 1.00 1.19 O ATOM 0 H ASP A 25 0.127 7.474 6.794 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.718 7.966 6.348 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.989 9.579 7.993 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.952 8.443 8.834 1.00 0.50 H new ATOM 407 N GLY A 26 -1.986 10.427 5.413 1.00 0.27 N ATOM 408 CA GLY A 26 -1.644 11.398 4.391 1.00 0.26 C ATOM 409 C GLY A 26 -0.424 12.231 4.736 1.00 0.32 C ATOM 410 O GLY A 26 -0.134 12.472 5.908 1.00 0.72 O ATOM 0 H GLY A 26 -2.807 10.669 5.967 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.465 10.877 3.451 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.494 12.061 4.231 1.00 0.26 H new ATOM 414 N THR A 27 0.277 12.685 3.703 1.00 0.25 N ATOM 415 CA THR A 27 1.477 13.500 3.847 1.00 0.23 C ATOM 416 C THR A 27 1.952 13.938 2.460 1.00 0.23 C ATOM 417 O THR A 27 1.710 13.239 1.472 1.00 0.26 O ATOM 418 CB THR A 27 2.606 12.735 4.582 1.00 0.30 C ATOM 419 OG1 THR A 27 2.335 12.691 5.992 1.00 0.60 O ATOM 420 CG2 THR A 27 3.962 13.388 4.363 1.00 0.65 C ATOM 0 H THR A 27 0.025 12.496 2.733 1.00 0.25 H new ATOM 0 HA THR A 27 1.231 14.373 4.451 1.00 0.23 H new ATOM 0 HB THR A 27 2.635 11.726 4.171 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.405 12.955 6.155 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.728 12.823 4.894 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.193 13.399 3.298 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.939 14.410 4.740 1.00 0.65 H new ATOM 428 N ARG A 28 2.610 15.089 2.385 1.00 0.26 N ATOM 429 CA ARG A 28 3.095 15.609 1.112 1.00 0.29 C ATOM 430 C ARG A 28 4.617 15.732 1.120 1.00 0.29 C ATOM 431 O ARG A 28 5.183 16.501 1.897 1.00 0.39 O ATOM 432 CB ARG A 28 2.455 16.970 0.821 1.00 0.36 C ATOM 433 CG ARG A 28 2.834 18.047 1.825 1.00 0.44 C ATOM 434 CD ARG A 28 1.850 19.203 1.816 1.00 0.57 C ATOM 435 NE ARG A 28 0.536 18.813 2.330 1.00 0.66 N ATOM 436 CZ ARG A 28 0.272 18.559 3.618 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.238 18.631 4.539 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.962 18.231 3.985 1.00 1.12 N ATOM 0 H ARG A 28 2.820 15.679 3.190 1.00 0.26 H new ATOM 0 HA ARG A 28 2.813 14.909 0.325 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.750 17.295 -0.177 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.371 16.858 0.812 1.00 0.36 H new ATOM 0 HG2 ARG A 28 2.875 17.613 2.824 1.00 0.44 H new ATOM 0 HG3 ARG A 28 3.833 18.419 1.598 1.00 0.44 H new ATOM 0 HD2 ARG A 28 2.246 20.020 2.419 1.00 0.57 H new ATOM 0 HD3 ARG A 28 1.743 19.580 0.799 1.00 0.57 H new ATOM 0 HE ARG A 28 -0.230 18.729 1.662 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.188 18.882 4.264 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.026 18.435 5.517 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.703 18.174 3.287 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -1.168 18.037 4.965 1.00 1.12 H new ATOM 452 N ASP A 29 5.270 14.968 0.256 1.00 0.27 N ATOM 453 CA ASP A 29 6.723 14.988 0.158 1.00 0.29 C ATOM 454 C ASP A 29 7.154 14.908 -1.302 1.00 0.30 C ATOM 455 O ASP A 29 6.317 14.733 -2.196 1.00 0.37 O ATOM 456 CB ASP A 29 7.327 13.823 0.950 1.00 0.31 C ATOM 457 CG ASP A 29 8.695 14.146 1.522 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.603 14.515 0.749 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.867 14.036 2.754 1.00 0.53 O ATOM 0 H ASP A 29 4.814 14.324 -0.390 1.00 0.27 H new ATOM 0 HA ASP A 29 7.087 15.924 0.581 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.653 13.554 1.763 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.407 12.951 0.301 1.00 0.31 H new ATOM 464 N ARG A 30 8.450 15.036 -1.543 1.00 0.35 N ATOM 465 CA ARG A 30 8.988 14.972 -2.890 1.00 0.39 C ATOM 466 C ARG A 30 9.312 13.524 -3.236 1.00 0.37 C ATOM 467 O ARG A 30 10.470 13.102 -3.171 1.00 0.41 O ATOM 468 CB ARG A 30 10.239 15.855 -3.014 1.00 0.48 C ATOM 469 CG ARG A 30 10.951 15.746 -4.356 1.00 0.53 C ATOM 470 CD ARG A 30 10.043 16.123 -5.515 1.00 0.62 C ATOM 471 NE ARG A 30 10.645 15.806 -6.812 1.00 0.72 N ATOM 472 CZ ARG A 30 10.018 15.931 -7.985 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.774 16.405 -8.039 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.639 15.594 -9.110 1.00 1.02 N ATOM 0 H ARG A 30 9.151 15.186 -0.817 1.00 0.35 H new ATOM 0 HA ARG A 30 8.244 15.348 -3.593 1.00 0.39 H new ATOM 0 HB2 ARG A 30 9.954 16.894 -2.850 1.00 0.48 H new ATOM 0 HB3 ARG A 30 10.938 15.588 -2.222 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.827 16.395 -4.356 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.310 14.726 -4.494 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.094 15.596 -5.418 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.821 17.189 -5.469 1.00 0.62 H new ATOM 0 HE ARG A 30 11.607 15.467 -6.820 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.294 16.675 -7.181 1.00 1.07 H new ATOM 0 HH12 ARG A 30 8.302 16.497 -8.939 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.595 15.240 -9.078 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.160 15.690 -10.005 1.00 1.02 H new ATOM 488 N SER A 31 8.277 12.760 -3.578 1.00 0.44 N ATOM 489 CA SER A 31 8.446 11.351 -3.921 1.00 0.51 C ATOM 490 C SER A 31 9.186 10.631 -2.795 1.00 0.51 C ATOM 491 O SER A 31 10.147 9.895 -3.030 1.00 0.86 O ATOM 492 CB SER A 31 9.212 11.219 -5.243 1.00 0.65 C ATOM 493 OG SER A 31 8.698 12.115 -6.218 1.00 0.74 O ATOM 0 H SER A 31 7.314 13.093 -3.625 1.00 0.44 H new ATOM 0 HA SER A 31 7.466 10.891 -4.045 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.270 11.423 -5.077 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.139 10.195 -5.610 1.00 0.65 H new ATOM 0 HG SER A 31 9.202 12.015 -7.052 1.00 0.74 H new ATOM 499 N ASP A 32 8.725 10.853 -1.569 1.00 0.47 N ATOM 500 CA ASP A 32 9.342 10.257 -0.392 1.00 0.47 C ATOM 501 C ASP A 32 8.280 9.639 0.514 1.00 0.49 C ATOM 502 O ASP A 32 7.094 9.630 0.180 1.00 1.05 O ATOM 503 CB ASP A 32 10.132 11.326 0.378 1.00 0.57 C ATOM 504 CG ASP A 32 11.369 10.776 1.063 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.256 9.783 1.810 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.462 11.347 0.864 1.00 0.83 O ATOM 0 H ASP A 32 7.920 11.446 -1.365 1.00 0.47 H new ATOM 0 HA ASP A 32 10.023 9.469 -0.714 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.427 12.117 -0.311 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.482 11.781 1.126 1.00 0.57 H new ATOM 511 N GLN A 33 8.719 9.134 1.657 1.00 0.35 N ATOM 512 CA GLN A 33 7.839 8.515 2.638 1.00 0.34 C ATOM 513 C GLN A 33 8.336 8.894 4.036 1.00 0.35 C ATOM 514 O GLN A 33 9.025 9.906 4.187 1.00 0.54 O ATOM 515 CB GLN A 33 7.851 6.994 2.452 1.00 0.45 C ATOM 516 CG GLN A 33 6.563 6.303 2.880 1.00 0.53 C ATOM 517 CD GLN A 33 6.820 4.999 3.610 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.804 4.866 4.342 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.939 4.030 3.420 1.00 0.82 N ATOM 0 H GLN A 33 9.701 9.142 1.932 1.00 0.35 H new ATOM 0 HA GLN A 33 6.815 8.865 2.509 1.00 0.34 H new ATOM 0 HB2 GLN A 33 8.039 6.769 1.402 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.681 6.576 3.022 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.993 6.971 3.526 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.949 6.109 2.001 1.00 0.53 H new ATOM 0 HE21 GLN A 33 5.139 4.182 2.806 1.00 0.82 H new ATOM 0 HE22 GLN A 33 6.060 3.132 3.887 1.00 0.82 H new ATOM 528 N HIS A 34 7.998 8.098 5.057 1.00 0.34 N ATOM 529 CA HIS A 34 8.472 8.372 6.418 1.00 0.39 C ATOM 530 C HIS A 34 9.982 8.609 6.391 1.00 0.37 C ATOM 531 O HIS A 34 10.517 9.395 7.166 1.00 0.50 O ATOM 532 CB HIS A 34 8.145 7.199 7.353 1.00 0.48 C ATOM 533 CG HIS A 34 8.909 7.223 8.644 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.916 6.325 8.943 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.808 8.043 9.717 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.398 6.595 10.143 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.744 7.632 10.631 1.00 0.95 N ATOM 0 H HIS A 34 7.407 7.271 4.970 1.00 0.34 H new ATOM 0 HA HIS A 34 7.967 9.262 6.794 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.077 7.209 7.573 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.355 6.264 6.834 1.00 0.48 H new ATOM 0 HD2 HIS A 34 8.119 8.867 9.831 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.192 6.058 10.640 1.00 0.99 H new ATOM 0 HE2 HIS A 34 9.908 8.060 11.542 1.00 0.95 H new ATOM 546 N ILE A 35 10.644 7.905 5.483 1.00 0.31 N ATOM 547 CA ILE A 35 12.088 8.005 5.294 1.00 0.34 C ATOM 548 C ILE A 35 12.457 7.549 3.880 1.00 0.33 C ATOM 549 O ILE A 35 13.340 8.120 3.242 1.00 0.40 O ATOM 550 CB ILE A 35 12.865 7.163 6.335 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.761 7.805 7.723 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.325 7.007 5.927 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.640 7.153 8.768 1.00 0.51 C ATOM 0 H ILE A 35 10.193 7.243 4.852 1.00 0.31 H new ATOM 0 HA ILE A 35 12.370 9.049 5.434 1.00 0.34 H new ATOM 0 HB ILE A 35 12.417 6.170 6.375 1.00 0.39 H new ATOM 0 HG12 ILE A 35 13.027 8.859 7.646 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.724 7.761 8.056 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.850 6.412 6.674 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.381 6.507 4.960 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.790 7.990 5.855 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.510 7.663 9.722 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.361 6.105 8.876 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.683 7.220 8.459 1.00 0.51 H new ATOM 565 N GLN A 36 11.785 6.494 3.417 1.00 0.29 N ATOM 566 CA GLN A 36 11.990 5.950 2.081 1.00 0.30 C ATOM 567 C GLN A 36 11.044 4.771 1.875 1.00 0.30 C ATOM 568 O GLN A 36 10.624 4.144 2.847 1.00 0.64 O ATOM 569 CB GLN A 36 13.447 5.508 1.906 1.00 0.37 C ATOM 570 CG GLN A 36 13.758 4.894 0.550 1.00 0.40 C ATOM 571 CD GLN A 36 15.233 4.577 0.392 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.999 5.371 -0.149 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.643 3.418 0.880 1.00 0.61 N ATOM 0 H GLN A 36 11.082 5.994 3.962 1.00 0.29 H new ATOM 0 HA GLN A 36 11.778 6.717 1.336 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.096 6.370 2.059 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.690 4.784 2.684 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.176 3.981 0.424 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.449 5.581 -0.238 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.976 2.786 1.322 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.627 3.156 0.814 1.00 0.61 H new ATOM 582 N LEU A 37 10.685 4.489 0.632 1.00 0.27 N ATOM 583 CA LEU A 37 9.792 3.374 0.337 1.00 0.25 C ATOM 584 C LEU A 37 10.378 2.523 -0.779 1.00 0.22 C ATOM 585 O LEU A 37 10.634 3.017 -1.878 1.00 0.26 O ATOM 586 CB LEU A 37 8.400 3.881 -0.056 1.00 0.33 C ATOM 587 CG LEU A 37 7.244 2.926 0.253 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.906 3.611 0.018 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.347 1.667 -0.593 1.00 0.53 C ATOM 0 H LEU A 37 10.995 5.013 -0.187 1.00 0.27 H new ATOM 0 HA LEU A 37 9.690 2.764 1.235 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.217 4.825 0.458 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.398 4.094 -1.125 1.00 0.33 H new ATOM 0 HG LEU A 37 7.309 2.643 1.304 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.097 2.916 0.243 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.825 4.484 0.666 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.836 3.925 -1.024 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.516 1.002 -0.358 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.310 1.934 -1.649 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.289 1.161 -0.379 1.00 0.53 H new ATOM 601 N GLN A 38 10.598 1.250 -0.484 1.00 0.23 N ATOM 602 CA GLN A 38 11.165 0.324 -1.452 1.00 0.27 C ATOM 603 C GLN A 38 10.169 -0.776 -1.799 1.00 0.24 C ATOM 604 O GLN A 38 9.452 -1.278 -0.928 1.00 0.32 O ATOM 605 CB GLN A 38 12.459 -0.288 -0.903 1.00 0.38 C ATOM 606 CG GLN A 38 13.610 0.707 -0.801 1.00 0.51 C ATOM 607 CD GLN A 38 14.584 0.374 0.320 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.204 -0.191 1.344 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.848 0.719 0.137 1.00 0.75 N ATOM 0 H GLN A 38 10.391 0.834 0.424 1.00 0.23 H new ATOM 0 HA GLN A 38 11.393 0.878 -2.362 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.263 -0.706 0.084 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.761 -1.115 -1.545 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.149 0.730 -1.748 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.206 1.706 -0.640 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.129 1.187 -0.725 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.541 0.517 0.858 1.00 0.75 H new ATOM 618 N LEU A 39 10.113 -1.119 -3.079 1.00 0.24 N ATOM 619 CA LEU A 39 9.226 -2.165 -3.569 1.00 0.24 C ATOM 620 C LEU A 39 9.853 -2.825 -4.795 1.00 0.26 C ATOM 621 O LEU A 39 9.979 -2.195 -5.843 1.00 0.34 O ATOM 622 CB LEU A 39 7.849 -1.579 -3.913 1.00 0.26 C ATOM 623 CG LEU A 39 6.762 -2.601 -4.261 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.406 -1.919 -4.362 1.00 0.38 C ATOM 625 CD2 LEU A 39 7.087 -3.316 -5.563 1.00 0.41 C ATOM 0 H LEU A 39 10.680 -0.681 -3.805 1.00 0.24 H new ATOM 0 HA LEU A 39 9.088 -2.917 -2.792 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.506 -0.984 -3.067 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.965 -0.897 -4.756 1.00 0.26 H new ATOM 0 HG LEU A 39 6.725 -3.342 -3.462 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.644 -2.658 -4.610 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.162 -1.452 -3.408 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.439 -1.157 -5.141 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.301 -4.036 -5.789 1.00 0.41 H new ATOM 0 HD22 LEU A 39 7.155 -2.588 -6.371 1.00 0.41 H new ATOM 0 HD23 LEU A 39 8.039 -3.837 -5.464 1.00 0.41 H new ATOM 637 N SER A 40 10.269 -4.082 -4.648 1.00 0.25 N ATOM 638 CA SER A 40 10.901 -4.829 -5.738 1.00 0.28 C ATOM 639 C SER A 40 11.391 -6.194 -5.231 1.00 0.29 C ATOM 640 O SER A 40 10.882 -6.698 -4.225 1.00 0.38 O ATOM 641 CB SER A 40 12.075 -4.017 -6.322 1.00 0.36 C ATOM 642 OG SER A 40 11.644 -3.129 -7.338 1.00 0.55 O ATOM 0 H SER A 40 10.179 -4.609 -3.779 1.00 0.25 H new ATOM 0 HA SER A 40 10.166 -4.997 -6.526 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.558 -3.451 -5.525 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.823 -4.699 -6.728 1.00 0.36 H new ATOM 0 HG SER A 40 11.078 -2.432 -6.945 1.00 0.55 H new ATOM 648 N ALA A 41 12.340 -6.804 -5.952 1.00 0.33 N ATOM 649 CA ALA A 41 12.930 -8.088 -5.564 1.00 0.37 C ATOM 650 C ALA A 41 12.050 -9.267 -5.968 1.00 0.36 C ATOM 651 O ALA A 41 12.506 -10.177 -6.662 1.00 0.76 O ATOM 652 CB ALA A 41 13.218 -8.126 -4.065 1.00 0.46 C ATOM 0 H ALA A 41 12.719 -6.421 -6.818 1.00 0.33 H new ATOM 0 HA ALA A 41 13.873 -8.182 -6.103 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.655 -9.089 -3.803 1.00 0.46 H new ATOM 0 HB2 ALA A 41 13.916 -7.329 -3.808 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.289 -7.987 -3.512 1.00 0.46 H new ATOM 658 N GLU A 42 10.793 -9.242 -5.536 1.00 0.35 N ATOM 659 CA GLU A 42 9.853 -10.315 -5.844 1.00 0.30 C ATOM 660 C GLU A 42 9.697 -10.499 -7.357 1.00 0.33 C ATOM 661 O GLU A 42 10.052 -9.609 -8.139 1.00 0.51 O ATOM 662 CB GLU A 42 8.497 -10.037 -5.191 1.00 0.32 C ATOM 663 CG GLU A 42 8.562 -9.916 -3.672 1.00 0.54 C ATOM 664 CD GLU A 42 9.226 -11.113 -3.019 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.611 -12.197 -2.990 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.369 -10.978 -2.534 1.00 1.05 O ATOM 0 H GLU A 42 10.401 -8.489 -4.971 1.00 0.35 H new ATOM 0 HA GLU A 42 10.253 -11.243 -5.436 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.087 -9.115 -5.603 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.806 -10.838 -5.454 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.110 -9.012 -3.406 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.552 -9.805 -3.277 1.00 0.54 H new ATOM 673 N SER A 43 9.177 -11.657 -7.760 1.00 0.31 N ATOM 674 CA SER A 43 8.992 -11.974 -9.173 1.00 0.38 C ATOM 675 C SER A 43 7.857 -11.151 -9.789 1.00 0.34 C ATOM 676 O SER A 43 7.104 -10.487 -9.077 1.00 0.61 O ATOM 677 CB SER A 43 8.702 -13.472 -9.341 1.00 0.52 C ATOM 678 OG SER A 43 7.427 -13.815 -8.815 1.00 1.04 O ATOM 0 H SER A 43 8.875 -12.394 -7.123 1.00 0.31 H new ATOM 0 HA SER A 43 9.914 -11.720 -9.696 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.745 -13.736 -10.398 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.474 -14.053 -8.836 1.00 0.52 H new ATOM 0 HG SER A 43 7.523 -14.096 -7.881 1.00 1.04 H new ATOM 684 N VAL A 44 7.738 -11.207 -11.117 1.00 0.39 N ATOM 685 CA VAL A 44 6.695 -10.476 -11.835 1.00 0.39 C ATOM 686 C VAL A 44 5.335 -10.657 -11.153 1.00 0.36 C ATOM 687 O VAL A 44 4.834 -11.779 -11.020 1.00 0.59 O ATOM 688 CB VAL A 44 6.605 -10.920 -13.319 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.399 -12.429 -13.433 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.498 -10.164 -14.043 1.00 0.58 C ATOM 0 H VAL A 44 8.355 -11.754 -11.718 1.00 0.39 H new ATOM 0 HA VAL A 44 6.966 -9.421 -11.811 1.00 0.39 H new ATOM 0 HB VAL A 44 7.553 -10.677 -13.799 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.340 -12.710 -14.485 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.237 -12.947 -12.966 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.473 -12.709 -12.930 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.453 -10.491 -15.082 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.543 -10.365 -13.558 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.705 -9.094 -14.008 1.00 0.58 H new ATOM 700 N GLY A 45 4.758 -9.551 -10.702 1.00 0.32 N ATOM 701 CA GLY A 45 3.471 -9.594 -10.028 1.00 0.33 C ATOM 702 C GLY A 45 3.615 -9.477 -8.523 1.00 0.28 C ATOM 703 O GLY A 45 2.941 -8.664 -7.887 1.00 0.33 O ATOM 0 H GLY A 45 5.160 -8.618 -10.791 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.841 -8.784 -10.396 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.964 -10.528 -10.272 1.00 0.33 H new ATOM 707 N GLU A 46 4.506 -10.285 -7.955 1.00 0.27 N ATOM 708 CA GLU A 46 4.747 -10.277 -6.516 1.00 0.28 C ATOM 709 C GLU A 46 5.576 -9.053 -6.146 1.00 0.24 C ATOM 710 O GLU A 46 6.478 -8.663 -6.891 1.00 0.31 O ATOM 711 CB GLU A 46 5.464 -11.562 -6.084 1.00 0.39 C ATOM 712 CG GLU A 46 4.725 -12.833 -6.476 1.00 0.51 C ATOM 713 CD GLU A 46 5.387 -14.087 -5.943 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.311 -14.605 -6.602 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.983 -14.565 -4.863 1.00 0.82 O ATOM 0 H GLU A 46 5.075 -10.956 -8.472 1.00 0.27 H new ATOM 0 HA GLU A 46 3.791 -10.232 -5.994 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.460 -11.579 -6.527 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.597 -11.548 -5.002 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.702 -12.782 -6.104 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.666 -12.893 -7.563 1.00 0.51 H new ATOM 722 N VAL A 47 5.274 -8.438 -5.009 1.00 0.22 N ATOM 723 CA VAL A 47 6.003 -7.250 -4.590 1.00 0.25 C ATOM 724 C VAL A 47 6.297 -7.245 -3.094 1.00 0.23 C ATOM 725 O VAL A 47 5.447 -7.603 -2.275 1.00 0.29 O ATOM 726 CB VAL A 47 5.244 -5.959 -4.966 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.188 -5.797 -6.479 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.841 -5.953 -4.370 1.00 0.35 C ATOM 0 H VAL A 47 4.539 -8.738 -4.369 1.00 0.22 H new ATOM 0 HA VAL A 47 6.953 -7.277 -5.124 1.00 0.25 H new ATOM 0 HB VAL A 47 5.787 -5.112 -4.547 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.650 -4.882 -6.727 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.201 -5.741 -6.877 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.673 -6.652 -6.918 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.330 -5.032 -4.651 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.281 -6.808 -4.748 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.907 -6.014 -3.284 1.00 0.35 H new ATOM 738 N TYR A 48 7.522 -6.851 -2.762 1.00 0.22 N ATOM 739 CA TYR A 48 7.979 -6.756 -1.382 1.00 0.22 C ATOM 740 C TYR A 48 8.046 -5.285 -0.986 1.00 0.22 C ATOM 741 O TYR A 48 8.916 -4.548 -1.456 1.00 0.29 O ATOM 742 CB TYR A 48 9.353 -7.429 -1.248 1.00 0.25 C ATOM 743 CG TYR A 48 10.099 -7.120 0.034 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.508 -7.315 1.277 1.00 0.49 C ATOM 745 CD2 TYR A 48 11.407 -6.651 -0.003 1.00 0.58 C ATOM 746 CE1 TYR A 48 10.201 -7.053 2.444 1.00 0.66 C ATOM 747 CE2 TYR A 48 12.106 -6.383 1.159 1.00 0.74 C ATOM 748 CZ TYR A 48 11.501 -6.586 2.380 1.00 0.72 C ATOM 749 OH TYR A 48 12.201 -6.327 3.542 1.00 0.92 O ATOM 0 H TYR A 48 8.229 -6.587 -3.448 1.00 0.22 H new ATOM 0 HA TYR A 48 7.285 -7.268 -0.715 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.220 -8.508 -1.321 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.972 -7.126 -2.092 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.492 -7.677 1.332 1.00 0.49 H new ATOM 0 HD2 TYR A 48 11.886 -6.493 -0.958 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.729 -7.212 3.402 1.00 0.66 H new ATOM 0 HE2 TYR A 48 13.121 -6.017 1.110 1.00 0.74 H new ATOM 0 HH TYR A 48 11.740 -6.741 4.301 1.00 0.92 H new ATOM 759 N ILE A 49 7.117 -4.861 -0.135 1.00 0.21 N ATOM 760 CA ILE A 49 7.044 -3.467 0.295 1.00 0.22 C ATOM 761 C ILE A 49 7.938 -3.195 1.507 1.00 0.23 C ATOM 762 O ILE A 49 7.822 -3.849 2.544 1.00 0.37 O ATOM 763 CB ILE A 49 5.591 -3.056 0.628 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.670 -3.350 -0.563 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.525 -1.579 1.002 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.212 -3.047 -0.296 1.00 0.38 C ATOM 0 H ILE A 49 6.402 -5.464 0.272 1.00 0.21 H new ATOM 0 HA ILE A 49 7.403 -2.867 -0.542 1.00 0.22 H new ATOM 0 HB ILE A 49 5.252 -3.641 1.483 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.002 -2.765 -1.420 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.769 -4.400 -0.836 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.495 -1.308 1.233 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.153 -1.396 1.874 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.880 -0.976 0.166 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.624 -3.280 -1.183 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.862 -3.652 0.541 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.099 -1.991 -0.052 1.00 0.38 H new ATOM 778 N LYS A 50 8.825 -2.219 1.362 1.00 0.21 N ATOM 779 CA LYS A 50 9.740 -1.836 2.427 1.00 0.25 C ATOM 780 C LYS A 50 9.638 -0.338 2.714 1.00 0.21 C ATOM 781 O LYS A 50 9.985 0.488 1.870 1.00 0.26 O ATOM 782 CB LYS A 50 11.172 -2.206 2.030 1.00 0.34 C ATOM 783 CG LYS A 50 12.248 -1.587 2.911 1.00 0.49 C ATOM 784 CD LYS A 50 12.175 -2.089 4.345 1.00 0.73 C ATOM 785 CE LYS A 50 12.293 -3.605 4.422 1.00 1.35 C ATOM 786 NZ LYS A 50 13.579 -4.108 3.863 1.00 1.74 N ATOM 0 H LYS A 50 8.930 -1.673 0.507 1.00 0.21 H new ATOM 0 HA LYS A 50 9.469 -2.374 3.336 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.275 -3.291 2.059 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.342 -1.897 0.999 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.230 -1.816 2.497 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.143 -0.502 2.902 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.973 -1.632 4.931 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.232 -1.775 4.792 1.00 0.73 H new ATOM 0 HE2 LYS A 50 12.205 -3.920 5.462 1.00 1.35 H new ATOM 0 HE3 LYS A 50 11.463 -4.058 3.880 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 13.505 -5.130 3.687 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 13.785 -3.617 2.969 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.346 -3.928 4.541 1.00 1.74 H new ATOM 800 N SER A 51 9.153 0.001 3.904 1.00 0.24 N ATOM 801 CA SER A 51 9.013 1.394 4.314 1.00 0.25 C ATOM 802 C SER A 51 10.160 1.780 5.247 1.00 0.25 C ATOM 803 O SER A 51 10.357 1.148 6.284 1.00 0.33 O ATOM 804 CB SER A 51 7.661 1.620 5.000 1.00 0.32 C ATOM 805 OG SER A 51 6.588 1.490 4.075 1.00 0.53 O ATOM 0 H SER A 51 8.849 -0.674 4.605 1.00 0.24 H new ATOM 0 HA SER A 51 9.053 2.027 3.428 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.536 0.901 5.810 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.639 2.613 5.449 1.00 0.32 H new ATOM 0 HG SER A 51 6.393 0.540 3.931 1.00 0.53 H new ATOM 811 N THR A 52 10.895 2.824 4.873 1.00 0.24 N ATOM 812 CA THR A 52 12.041 3.298 5.640 1.00 0.28 C ATOM 813 C THR A 52 13.233 2.365 5.415 1.00 0.28 C ATOM 814 O THR A 52 13.136 1.161 5.651 1.00 0.34 O ATOM 815 CB THR A 52 11.724 3.406 7.151 1.00 0.32 C ATOM 816 OG1 THR A 52 10.572 4.245 7.352 1.00 0.35 O ATOM 817 CG2 THR A 52 12.909 3.975 7.919 1.00 0.38 C ATOM 0 H THR A 52 10.712 3.365 4.028 1.00 0.24 H new ATOM 0 HA THR A 52 12.286 4.300 5.289 1.00 0.28 H new ATOM 0 HB THR A 52 11.517 2.404 7.526 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.746 4.869 8.087 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.659 4.040 8.978 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.773 3.323 7.790 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.144 4.970 7.540 1.00 0.38 H new ATOM 825 N GLU A 53 14.348 2.926 4.932 1.00 0.31 N ATOM 826 CA GLU A 53 15.555 2.143 4.654 1.00 0.35 C ATOM 827 C GLU A 53 15.779 1.088 5.738 1.00 0.31 C ATOM 828 O GLU A 53 16.005 -0.086 5.435 1.00 0.37 O ATOM 829 CB GLU A 53 16.778 3.063 4.542 1.00 0.43 C ATOM 830 CG GLU A 53 18.020 2.376 3.987 1.00 0.47 C ATOM 831 CD GLU A 53 17.832 1.873 2.566 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.385 0.718 2.395 1.00 0.74 O ATOM 833 OE2 GLU A 53 18.130 2.627 1.613 1.00 0.73 O ATOM 0 H GLU A 53 14.438 3.921 4.726 1.00 0.31 H new ATOM 0 HA GLU A 53 15.417 1.631 3.702 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.526 3.909 3.902 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.008 3.466 5.528 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.857 3.074 4.012 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.284 1.538 4.632 1.00 0.47 H new ATOM 840 N THR A 54 15.707 1.512 6.995 1.00 0.28 N ATOM 841 CA THR A 54 15.883 0.608 8.121 1.00 0.31 C ATOM 842 C THR A 54 15.137 1.128 9.348 1.00 0.33 C ATOM 843 O THR A 54 15.245 2.309 9.687 1.00 0.52 O ATOM 844 CB THR A 54 17.376 0.426 8.468 1.00 0.40 C ATOM 845 OG1 THR A 54 18.054 1.691 8.412 1.00 0.63 O ATOM 846 CG2 THR A 54 18.040 -0.556 7.513 1.00 0.68 C ATOM 0 H THR A 54 15.527 2.481 7.258 1.00 0.28 H new ATOM 0 HA THR A 54 15.473 -0.359 7.830 1.00 0.31 H new ATOM 0 HB THR A 54 17.443 0.025 9.479 1.00 0.40 H new ATOM 0 HG1 THR A 54 19.000 1.565 8.635 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.091 -0.667 7.778 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.544 -1.524 7.583 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.961 -0.181 6.493 1.00 0.68 H new ATOM 854 N GLY A 55 14.369 0.254 9.996 1.00 0.39 N ATOM 855 CA GLY A 55 13.627 0.649 11.182 1.00 0.44 C ATOM 856 C GLY A 55 12.145 0.322 11.101 1.00 0.42 C ATOM 857 O GLY A 55 11.508 0.070 12.126 1.00 0.76 O ATOM 0 H GLY A 55 14.248 -0.721 9.721 1.00 0.39 H new ATOM 0 HA2 GLY A 55 14.055 0.151 12.052 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.747 1.721 11.337 1.00 0.44 H new ATOM 861 N GLN A 56 11.589 0.320 9.896 1.00 0.34 N ATOM 862 CA GLN A 56 10.170 0.035 9.712 1.00 0.30 C ATOM 863 C GLN A 56 9.944 -1.154 8.782 1.00 0.27 C ATOM 864 O GLN A 56 10.832 -1.543 8.019 1.00 0.38 O ATOM 865 CB GLN A 56 9.461 1.275 9.167 1.00 0.37 C ATOM 866 CG GLN A 56 9.070 2.270 10.244 1.00 0.49 C ATOM 867 CD GLN A 56 7.662 2.044 10.754 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.707 2.628 10.244 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.521 1.193 11.760 1.00 0.89 N ATOM 0 H GLN A 56 12.097 0.512 9.033 1.00 0.34 H new ATOM 0 HA GLN A 56 9.752 -0.228 10.684 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.112 1.769 8.446 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.566 0.965 8.628 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.771 2.196 11.075 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.152 3.282 9.847 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.340 0.729 12.154 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.594 1.002 12.140 1.00 0.89 H new ATOM 878 N TYR A 57 8.746 -1.725 8.857 1.00 0.24 N ATOM 879 CA TYR A 57 8.370 -2.862 8.030 1.00 0.23 C ATOM 880 C TYR A 57 6.874 -2.802 7.734 1.00 0.25 C ATOM 881 O TYR A 57 6.067 -2.645 8.648 1.00 0.42 O ATOM 882 CB TYR A 57 8.724 -4.175 8.737 1.00 0.26 C ATOM 883 CG TYR A 57 9.343 -5.212 7.828 1.00 0.35 C ATOM 884 CD1 TYR A 57 10.563 -4.978 7.210 1.00 0.53 C ATOM 885 CD2 TYR A 57 8.708 -6.424 7.589 1.00 0.54 C ATOM 886 CE1 TYR A 57 11.132 -5.919 6.378 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.274 -7.373 6.759 1.00 0.73 C ATOM 888 CZ TYR A 57 10.487 -7.115 6.153 1.00 0.79 C ATOM 889 OH TYR A 57 11.061 -8.054 5.318 1.00 1.03 O ATOM 0 H TYR A 57 8.011 -1.412 9.492 1.00 0.24 H new ATOM 0 HA TYR A 57 8.922 -2.821 7.091 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.415 -3.962 9.553 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.821 -4.591 9.184 1.00 0.26 H new ATOM 0 HD1 TYR A 57 11.076 -4.043 7.383 1.00 0.53 H new ATOM 0 HD2 TYR A 57 7.757 -6.628 8.059 1.00 0.54 H new ATOM 0 HE1 TYR A 57 12.081 -5.719 5.904 1.00 0.73 H new ATOM 0 HE2 TYR A 57 8.770 -8.312 6.585 1.00 0.73 H new ATOM 0 HH TYR A 57 10.481 -8.842 5.265 1.00 1.03 H new ATOM 899 N LEU A 58 6.508 -2.908 6.464 1.00 0.20 N ATOM 900 CA LEU A 58 5.104 -2.843 6.066 1.00 0.22 C ATOM 901 C LEU A 58 4.481 -4.235 6.079 1.00 0.23 C ATOM 902 O LEU A 58 4.977 -5.148 5.413 1.00 0.30 O ATOM 903 CB LEU A 58 4.975 -2.221 4.670 1.00 0.27 C ATOM 904 CG LEU A 58 3.634 -1.540 4.368 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.481 -2.532 4.466 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.408 -0.359 5.305 1.00 0.38 C ATOM 0 H LEU A 58 7.161 -3.039 5.691 1.00 0.20 H new ATOM 0 HA LEU A 58 4.571 -2.216 6.781 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.771 -1.487 4.544 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.141 -3.002 3.928 1.00 0.27 H new ATOM 0 HG LEU A 58 3.670 -1.166 3.345 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.543 -2.022 4.247 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.632 -3.338 3.748 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.442 -2.946 5.473 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.452 0.110 5.075 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.401 -0.710 6.337 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.210 0.368 5.174 1.00 0.38 H new ATOM 918 N ALA A 59 3.404 -4.396 6.838 1.00 0.23 N ATOM 919 CA ALA A 59 2.722 -5.677 6.929 1.00 0.27 C ATOM 920 C ALA A 59 1.212 -5.491 7.046 1.00 0.24 C ATOM 921 O ALA A 59 0.734 -4.472 7.557 1.00 0.26 O ATOM 922 CB ALA A 59 3.256 -6.473 8.109 1.00 0.35 C ATOM 0 H ALA A 59 2.985 -3.654 7.399 1.00 0.23 H new ATOM 0 HA ALA A 59 2.918 -6.233 6.012 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.738 -7.430 8.167 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.324 -6.646 7.978 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.090 -5.914 9.030 1.00 0.35 H new ATOM 928 N MET A 60 0.469 -6.478 6.557 1.00 0.28 N ATOM 929 CA MET A 60 -0.991 -6.448 6.604 1.00 0.30 C ATOM 930 C MET A 60 -1.502 -7.112 7.879 1.00 0.26 C ATOM 931 O MET A 60 -0.805 -7.933 8.486 1.00 0.44 O ATOM 932 CB MET A 60 -1.591 -7.157 5.383 1.00 0.40 C ATOM 933 CG MET A 60 -1.191 -8.623 5.261 1.00 0.73 C ATOM 934 SD MET A 60 -2.242 -9.547 4.124 1.00 0.93 S ATOM 935 CE MET A 60 -3.764 -9.632 5.069 1.00 1.97 C ATOM 0 H MET A 60 0.856 -7.315 6.120 1.00 0.28 H new ATOM 0 HA MET A 60 -1.302 -5.403 6.595 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.678 -7.090 5.434 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.281 -6.630 4.481 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.157 -8.685 4.923 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.233 -9.089 6.246 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.383 -10.446 4.690 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.531 -9.812 6.119 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.305 -8.690 4.974 1.00 1.97 H new ATOM 945 N ASP A 61 -2.710 -6.741 8.287 1.00 0.30 N ATOM 946 CA ASP A 61 -3.334 -7.309 9.477 1.00 0.31 C ATOM 947 C ASP A 61 -4.365 -8.371 9.085 1.00 0.29 C ATOM 948 O ASP A 61 -4.929 -8.330 7.989 1.00 0.34 O ATOM 949 CB ASP A 61 -3.977 -6.201 10.331 1.00 0.42 C ATOM 950 CG ASP A 61 -5.407 -6.510 10.740 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.607 -7.323 11.669 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.334 -5.946 10.130 1.00 0.96 O ATOM 0 H ASP A 61 -3.281 -6.044 7.808 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.563 -7.792 10.078 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.375 -6.047 11.227 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -3.961 -5.265 9.772 1.00 0.42 H new ATOM 957 N THR A 62 -4.592 -9.315 9.994 1.00 0.37 N ATOM 958 CA THR A 62 -5.534 -10.410 9.778 1.00 0.44 C ATOM 959 C THR A 62 -6.930 -9.903 9.403 1.00 0.41 C ATOM 960 O THR A 62 -7.565 -10.442 8.493 1.00 0.50 O ATOM 961 CB THR A 62 -5.614 -11.316 11.037 1.00 0.59 C ATOM 962 OG1 THR A 62 -4.727 -12.432 10.891 1.00 0.85 O ATOM 963 CG2 THR A 62 -7.029 -11.823 11.296 1.00 0.74 C ATOM 0 H THR A 62 -4.128 -9.343 10.902 1.00 0.37 H new ATOM 0 HA THR A 62 -5.160 -10.995 8.938 1.00 0.44 H new ATOM 0 HB THR A 62 -5.318 -10.708 11.892 1.00 0.59 H new ATOM 0 HG1 THR A 62 -4.780 -12.999 11.689 1.00 0.85 H new ATOM 0 HG21 THR A 62 -7.033 -12.452 12.186 1.00 0.74 H new ATOM 0 HG22 THR A 62 -7.697 -10.975 11.447 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.369 -12.405 10.440 1.00 0.74 H new ATOM 971 N ASP A 63 -7.399 -8.873 10.096 1.00 0.36 N ATOM 972 CA ASP A 63 -8.726 -8.316 9.839 1.00 0.41 C ATOM 973 C ASP A 63 -8.785 -7.670 8.457 1.00 0.40 C ATOM 974 O ASP A 63 -9.508 -8.132 7.573 1.00 0.65 O ATOM 975 CB ASP A 63 -9.088 -7.287 10.915 1.00 0.47 C ATOM 976 CG ASP A 63 -10.575 -7.007 10.982 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.144 -6.513 9.986 1.00 0.75 O ATOM 978 OD2 ASP A 63 -11.184 -7.277 12.038 1.00 0.82 O ATOM 0 H ASP A 63 -6.882 -8.405 10.841 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.449 -9.131 9.870 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.747 -7.647 11.885 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.556 -6.357 10.715 1.00 0.47 H new ATOM 983 N GLY A 64 -8.003 -6.617 8.274 1.00 0.45 N ATOM 984 CA GLY A 64 -7.969 -5.914 7.007 1.00 0.50 C ATOM 985 C GLY A 64 -7.385 -4.521 7.147 1.00 0.43 C ATOM 986 O GLY A 64 -7.937 -3.550 6.621 1.00 0.64 O ATOM 0 H GLY A 64 -7.385 -6.233 8.988 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.378 -6.485 6.291 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.979 -5.845 6.603 1.00 0.50 H new ATOM 990 N LEU A 65 -6.268 -4.431 7.859 1.00 0.40 N ATOM 991 CA LEU A 65 -5.587 -3.169 8.093 1.00 0.34 C ATOM 992 C LEU A 65 -4.125 -3.272 7.666 1.00 0.33 C ATOM 993 O LEU A 65 -3.556 -4.367 7.632 1.00 0.60 O ATOM 994 CB LEU A 65 -5.676 -2.807 9.583 1.00 0.37 C ATOM 995 CG LEU A 65 -6.151 -1.382 9.905 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.083 -0.355 9.552 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.455 -1.078 9.179 1.00 1.16 C ATOM 0 H LEU A 65 -5.810 -5.234 8.290 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.067 -2.388 7.503 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.352 -3.512 10.067 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.692 -2.950 10.030 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.331 -1.319 10.978 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.446 0.645 9.790 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.179 -0.559 10.125 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.858 -0.415 8.487 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.777 -0.065 9.418 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.302 -1.165 8.103 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.221 -1.786 9.495 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.536 -2.136 7.313 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.138 -2.076 6.903 1.00 0.36 C ATOM 1011 C LEU A 66 -1.344 -1.326 7.964 1.00 0.34 C ATOM 1012 O LEU A 66 -1.759 -0.251 8.402 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.998 -1.374 5.547 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.581 -2.132 4.348 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.107 -2.120 4.385 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.073 -1.533 3.046 1.00 0.61 C ATOM 0 H LEU A 66 -4.011 -1.234 7.303 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.752 -3.090 6.799 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.483 -0.400 5.610 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.940 -1.191 5.360 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.251 -3.169 4.406 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.496 -2.664 3.524 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.452 -2.597 5.302 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.464 -1.090 4.355 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.495 -2.081 2.204 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.373 -0.487 2.985 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.986 -1.601 3.014 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.218 -1.886 8.385 1.00 0.28 N ATOM 1029 CA TYR A 67 0.595 -1.252 9.415 1.00 0.33 C ATOM 1030 C TYR A 67 2.084 -1.327 9.091 1.00 0.30 C ATOM 1031 O TYR A 67 2.530 -2.173 8.307 1.00 0.32 O ATOM 1032 CB TYR A 67 0.325 -1.904 10.776 1.00 0.43 C ATOM 1033 CG TYR A 67 0.420 -3.414 10.757 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.644 -4.056 10.894 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.715 -4.196 10.593 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.733 -5.435 10.869 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.633 -5.571 10.565 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.591 -6.188 10.704 1.00 0.63 C ATOM 1039 OH TYR A 67 0.671 -7.564 10.668 1.00 0.80 O ATOM 0 H TYR A 67 0.151 -2.770 8.034 1.00 0.28 H new ATOM 0 HA TYR A 67 0.315 -0.199 9.451 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.036 -1.513 11.504 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.670 -1.616 11.116 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.541 -3.468 11.022 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.678 -3.719 10.486 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.692 -5.919 10.978 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.526 -6.164 10.434 1.00 0.55 H new ATOM 0 HH TYR A 67 0.065 -7.909 9.979 1.00 0.80 H new ATOM 1049 N GLY A 68 2.843 -0.424 9.707 1.00 0.34 N ATOM 1050 CA GLY A 68 4.275 -0.378 9.520 1.00 0.38 C ATOM 1051 C GLY A 68 5.001 -0.589 10.833 1.00 0.52 C ATOM 1052 O GLY A 68 5.048 0.314 11.672 1.00 1.27 O ATOM 0 H GLY A 68 2.479 0.286 10.342 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.577 -1.144 8.806 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.559 0.584 9.094 1.00 0.38 H new ATOM 1056 N SER A 69 5.542 -1.784 11.022 1.00 0.36 N ATOM 1057 CA SER A 69 6.262 -2.123 12.240 1.00 0.39 C ATOM 1058 C SER A 69 7.243 -3.257 11.974 1.00 0.32 C ATOM 1059 O SER A 69 7.006 -4.103 11.108 1.00 0.37 O ATOM 1060 CB SER A 69 5.286 -2.515 13.354 1.00 0.51 C ATOM 1061 OG SER A 69 5.072 -1.436 14.246 1.00 1.23 O ATOM 0 H SER A 69 5.495 -2.541 10.340 1.00 0.36 H new ATOM 0 HA SER A 69 6.820 -1.245 12.566 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.336 -2.824 12.918 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.679 -3.371 13.902 1.00 0.51 H new ATOM 0 HG SER A 69 5.197 -0.588 13.770 1.00 1.23 H new ATOM 1067 N GLN A 70 8.343 -3.272 12.713 1.00 0.31 N ATOM 1068 CA GLN A 70 9.357 -4.300 12.540 1.00 0.33 C ATOM 1069 C GLN A 70 8.801 -5.669 12.930 1.00 0.32 C ATOM 1070 O GLN A 70 8.745 -6.019 14.112 1.00 0.45 O ATOM 1071 CB GLN A 70 10.607 -3.973 13.364 1.00 0.43 C ATOM 1072 CG GLN A 70 11.903 -4.413 12.700 1.00 0.61 C ATOM 1073 CD GLN A 70 11.977 -5.915 12.502 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.487 -6.687 13.326 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.579 -6.342 11.403 1.00 1.29 N ATOM 0 H GLN A 70 8.555 -2.585 13.437 1.00 0.31 H new ATOM 0 HA GLN A 70 9.640 -4.328 11.488 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.645 -2.898 13.541 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.526 -4.454 14.339 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.998 -3.918 11.734 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.747 -4.089 13.309 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.973 -5.671 10.744 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.649 -7.342 11.216 1.00 1.29 H new ATOM 1084 N THR A 71 8.344 -6.412 11.933 1.00 0.29 N ATOM 1085 CA THR A 71 7.798 -7.747 12.141 1.00 0.33 C ATOM 1086 C THR A 71 7.849 -8.553 10.840 1.00 0.30 C ATOM 1087 O THR A 71 7.034 -8.347 9.941 1.00 0.38 O ATOM 1088 CB THR A 71 6.345 -7.692 12.674 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.327 -7.228 14.037 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.682 -9.062 12.604 1.00 0.58 C ATOM 0 H THR A 71 8.341 -6.109 10.959 1.00 0.29 H new ATOM 0 HA THR A 71 8.413 -8.241 12.893 1.00 0.33 H new ATOM 0 HB THR A 71 5.789 -6.998 12.043 1.00 0.43 H new ATOM 0 HG1 THR A 71 7.203 -6.853 14.267 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.663 -8.993 12.985 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.660 -9.403 11.569 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.248 -9.771 13.208 1.00 0.58 H new ATOM 1098 N PRO A 72 8.837 -9.456 10.712 1.00 0.30 N ATOM 1099 CA PRO A 72 8.990 -10.296 9.521 1.00 0.33 C ATOM 1100 C PRO A 72 7.939 -11.405 9.469 1.00 0.31 C ATOM 1101 O PRO A 72 7.766 -12.149 10.439 1.00 0.44 O ATOM 1102 CB PRO A 72 10.392 -10.889 9.682 1.00 0.44 C ATOM 1103 CG PRO A 72 10.621 -10.916 11.154 1.00 0.50 C ATOM 1104 CD PRO A 72 9.885 -9.726 11.716 1.00 0.41 C ATOM 0 HA PRO A 72 8.860 -9.732 8.597 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.451 -11.889 9.253 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.141 -10.280 9.175 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.250 -11.844 11.589 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.685 -10.860 11.384 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.456 -9.946 12.694 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.547 -8.870 11.844 1.00 0.41 H new ATOM 1112 N ASN A 73 7.237 -11.506 8.344 1.00 0.28 N ATOM 1113 CA ASN A 73 6.206 -12.528 8.165 1.00 0.31 C ATOM 1114 C ASN A 73 5.676 -12.500 6.735 1.00 0.28 C ATOM 1115 O ASN A 73 5.792 -11.484 6.039 1.00 0.31 O ATOM 1116 CB ASN A 73 5.048 -12.315 9.152 1.00 0.38 C ATOM 1117 CG ASN A 73 4.247 -13.587 9.417 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.131 -14.461 8.555 1.00 1.01 O ATOM 1119 ND2 ASN A 73 3.682 -13.694 10.612 1.00 1.26 N ATOM 0 H ASN A 73 7.363 -10.892 7.540 1.00 0.28 H new ATOM 0 HA ASN A 73 6.657 -13.501 8.361 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.446 -11.940 10.095 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.381 -11.547 8.760 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.130 -14.520 10.843 1.00 1.26 H new ATOM 0 HD22 ASN A 73 3.800 -12.950 11.300 1.00 1.26 H new ATOM 1126 N GLU A 74 5.082 -13.608 6.311 1.00 0.28 N ATOM 1127 CA GLU A 74 4.528 -13.729 4.962 1.00 0.30 C ATOM 1128 C GLU A 74 3.546 -12.594 4.661 1.00 0.28 C ATOM 1129 O GLU A 74 3.341 -12.228 3.503 1.00 0.31 O ATOM 1130 CB GLU A 74 3.829 -15.078 4.795 1.00 0.37 C ATOM 1131 CG GLU A 74 4.769 -16.267 4.911 1.00 0.45 C ATOM 1132 CD GLU A 74 4.031 -17.570 5.133 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.551 -18.161 4.145 1.00 0.79 O ATOM 1134 OE2 GLU A 74 3.935 -18.014 6.298 1.00 0.66 O ATOM 0 H GLU A 74 4.969 -14.444 6.885 1.00 0.28 H new ATOM 0 HA GLU A 74 5.355 -13.662 4.255 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.047 -15.169 5.549 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.339 -15.106 3.822 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.368 -16.342 4.003 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.461 -16.100 5.736 1.00 0.45 H new ATOM 1141 N GLU A 75 2.952 -12.030 5.712 1.00 0.28 N ATOM 1142 CA GLU A 75 1.996 -10.933 5.565 1.00 0.30 C ATOM 1143 C GLU A 75 2.613 -9.746 4.808 1.00 0.34 C ATOM 1144 O GLU A 75 1.891 -8.867 4.339 1.00 0.60 O ATOM 1145 CB GLU A 75 1.491 -10.463 6.937 1.00 0.37 C ATOM 1146 CG GLU A 75 1.164 -11.590 7.910 1.00 0.49 C ATOM 1147 CD GLU A 75 0.587 -12.819 7.229 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.532 -12.741 6.684 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.256 -13.875 7.242 1.00 1.26 O ATOM 0 H GLU A 75 3.117 -12.316 6.677 1.00 0.28 H new ATOM 0 HA GLU A 75 1.155 -11.313 4.985 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.247 -9.819 7.387 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.598 -9.854 6.793 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.070 -11.872 8.447 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.453 -11.226 8.652 1.00 0.49 H new ATOM 1156 N CYS A 76 3.942 -9.722 4.697 1.00 0.25 N ATOM 1157 CA CYS A 76 4.637 -8.646 3.998 1.00 0.28 C ATOM 1158 C CYS A 76 4.621 -8.851 2.475 1.00 0.28 C ATOM 1159 O CYS A 76 5.025 -7.962 1.721 1.00 0.36 O ATOM 1160 CB CYS A 76 6.083 -8.550 4.501 1.00 0.31 C ATOM 1161 SG CYS A 76 6.813 -6.903 4.355 1.00 0.49 S ATOM 0 H CYS A 76 4.557 -10.438 5.084 1.00 0.25 H new ATOM 0 HA CYS A 76 4.112 -7.715 4.210 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.113 -8.857 5.547 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.697 -9.258 3.944 1.00 0.31 H new ATOM 0 HG CYS A 76 5.912 -6.004 4.618 1.00 0.49 H new ATOM 1167 N LEU A 77 4.148 -10.014 2.016 1.00 0.27 N ATOM 1168 CA LEU A 77 4.100 -10.302 0.585 1.00 0.31 C ATOM 1169 C LEU A 77 2.792 -9.808 -0.026 1.00 0.25 C ATOM 1170 O LEU A 77 1.709 -10.325 0.283 1.00 0.31 O ATOM 1171 CB LEU A 77 4.274 -11.804 0.318 1.00 0.41 C ATOM 1172 CG LEU A 77 5.697 -12.344 0.502 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.697 -11.539 -0.322 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.090 -12.340 1.972 1.00 0.58 C ATOM 0 H LEU A 77 3.796 -10.764 2.612 1.00 0.27 H new ATOM 0 HA LEU A 77 4.927 -9.770 0.114 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.606 -12.353 0.982 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.953 -12.014 -0.702 1.00 0.41 H new ATOM 0 HG LEU A 77 5.714 -13.374 0.145 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.699 -11.942 -0.174 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.433 -11.602 -1.378 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.675 -10.497 -0.004 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.103 -12.727 2.079 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.048 -11.321 2.357 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.400 -12.969 2.535 1.00 0.58 H new ATOM 1186 N PHE A 78 2.897 -8.815 -0.900 1.00 0.21 N ATOM 1187 CA PHE A 78 1.728 -8.240 -1.551 1.00 0.21 C ATOM 1188 C PHE A 78 1.811 -8.392 -3.068 1.00 0.19 C ATOM 1189 O PHE A 78 2.870 -8.709 -3.618 1.00 0.23 O ATOM 1190 CB PHE A 78 1.595 -6.754 -1.193 1.00 0.26 C ATOM 1191 CG PHE A 78 1.512 -6.487 0.286 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.291 -6.505 0.940 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.657 -6.221 1.021 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.214 -6.262 2.298 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.586 -5.976 2.379 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.363 -5.997 3.018 1.00 0.45 C ATOM 0 H PHE A 78 3.783 -8.390 -1.175 1.00 0.21 H new ATOM 0 HA PHE A 78 0.851 -8.780 -1.194 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.449 -6.214 -1.602 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.704 -6.353 -1.675 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.611 -6.711 0.382 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.617 -6.205 0.526 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.744 -6.279 2.796 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.486 -5.769 2.939 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.304 -5.807 4.079 1.00 0.45 H new ATOM 1206 N LEU A 79 0.679 -8.180 -3.731 1.00 0.21 N ATOM 1207 CA LEU A 79 0.597 -8.260 -5.183 1.00 0.21 C ATOM 1208 C LEU A 79 0.279 -6.879 -5.757 1.00 0.20 C ATOM 1209 O LEU A 79 -0.790 -6.324 -5.486 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.490 -9.267 -5.590 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.364 -9.864 -6.999 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.341 -8.768 -8.057 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.875 -10.749 -7.103 1.00 0.35 C ATOM 0 H LEU A 79 -0.205 -7.949 -3.277 1.00 0.21 H new ATOM 0 HA LEU A 79 1.554 -8.597 -5.580 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.487 -10.085 -4.869 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.460 -8.776 -5.511 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.241 -10.486 -7.181 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.251 -9.218 -9.046 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.264 -8.191 -8.004 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.509 -8.109 -7.880 1.00 0.34 H new ATOM 0 HD21 LEU A 79 0.944 -11.161 -8.110 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.765 -10.156 -6.892 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.802 -11.563 -6.382 1.00 0.35 H new ATOM 1225 N GLU A 80 1.214 -6.325 -6.526 1.00 0.21 N ATOM 1226 CA GLU A 80 1.035 -5.007 -7.134 1.00 0.22 C ATOM 1227 C GLU A 80 0.611 -5.160 -8.588 1.00 0.22 C ATOM 1228 O GLU A 80 1.357 -5.695 -9.412 1.00 0.35 O ATOM 1229 CB GLU A 80 2.331 -4.188 -7.042 1.00 0.28 C ATOM 1230 CG GLU A 80 2.239 -2.799 -7.671 1.00 0.33 C ATOM 1231 CD GLU A 80 3.502 -1.972 -7.479 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.611 -2.524 -7.622 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.394 -0.755 -7.193 1.00 0.45 O ATOM 0 H GLU A 80 2.106 -6.769 -6.744 1.00 0.21 H new ATOM 0 HA GLU A 80 0.254 -4.475 -6.590 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.607 -4.082 -5.993 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.134 -4.743 -7.528 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.038 -2.902 -8.737 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.393 -2.266 -7.237 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.594 -4.710 -8.901 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.107 -4.809 -10.256 1.00 0.23 C ATOM 1242 C ARG A 81 -1.376 -3.424 -10.848 1.00 0.20 C ATOM 1243 O ARG A 81 -2.394 -2.796 -10.551 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.377 -5.662 -10.279 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.930 -5.897 -11.673 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.171 -6.774 -11.637 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.661 -7.107 -12.977 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.712 -7.897 -13.221 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.385 -8.463 -12.216 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.087 -8.130 -14.476 1.00 1.02 N ATOM 0 H ARG A 81 -1.233 -4.274 -8.236 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.349 -5.292 -10.873 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.165 -6.625 -9.815 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.141 -5.176 -9.672 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.172 -4.940 -12.136 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.168 -6.368 -12.294 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -3.947 -7.694 -11.097 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.958 -6.262 -11.083 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.168 -6.710 -13.777 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.099 -8.294 -11.252 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.185 -9.064 -12.413 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.573 -7.707 -15.249 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.888 -8.732 -14.665 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.450 -2.950 -11.675 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.584 -1.651 -12.329 1.00 0.24 C ATOM 1266 C LEU A 82 -1.321 -1.819 -13.656 1.00 0.27 C ATOM 1267 O LEU A 82 -1.053 -2.764 -14.397 1.00 0.40 O ATOM 1268 CB LEU A 82 0.799 -1.034 -12.568 1.00 0.32 C ATOM 1269 CG LEU A 82 0.800 0.402 -13.103 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.421 1.389 -12.011 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.159 0.745 -13.692 1.00 0.54 C ATOM 0 H LEU A 82 0.408 -3.449 -11.910 1.00 0.22 H new ATOM 0 HA LEU A 82 -1.156 -0.984 -11.684 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.353 -1.053 -11.629 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.342 -1.665 -13.272 1.00 0.32 H new ATOM 0 HG LEU A 82 0.052 0.474 -13.893 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.429 2.401 -12.416 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.577 1.155 -11.639 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.138 1.320 -11.193 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.145 1.768 -14.068 1.00 0.54 H new ATOM 0 HD22 LEU A 82 2.924 0.652 -12.921 1.00 0.54 H new ATOM 0 HD23 LEU A 82 2.384 0.061 -14.510 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.252 -0.914 -13.954 1.00 0.28 N ATOM 1284 CA GLU A 83 -3.020 -1.002 -15.195 1.00 0.36 C ATOM 1285 C GLU A 83 -2.635 0.111 -16.173 1.00 0.44 C ATOM 1286 O GLU A 83 -3.444 0.521 -17.011 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.521 -0.953 -14.901 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.347 -1.772 -15.883 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.839 -1.603 -15.687 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.410 -2.287 -14.811 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.450 -0.790 -16.407 1.00 1.24 O ATOM 0 H GLU A 83 -2.491 -0.120 -13.360 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.782 -1.957 -15.664 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.700 -1.320 -13.890 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.857 0.084 -14.928 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -5.085 -1.482 -16.900 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.089 -2.826 -15.776 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.397 0.592 -16.063 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.868 1.648 -16.933 1.00 0.38 C ATOM 1300 C GLU A 84 -1.609 2.984 -16.781 1.00 0.31 C ATOM 1301 O GLU A 84 -0.973 4.023 -16.602 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.907 1.203 -18.395 1.00 0.50 C ATOM 1303 CG GLU A 84 0.067 1.960 -19.282 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.348 1.951 -20.736 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.332 0.874 -21.360 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -0.700 3.026 -21.261 1.00 1.23 O ATOM 0 H GLU A 84 -0.729 0.261 -15.367 1.00 0.37 H new ATOM 0 HA GLU A 84 0.163 1.815 -16.620 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.683 0.138 -18.449 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.918 1.337 -18.781 1.00 0.50 H new ATOM 0 HG2 GLU A 84 0.143 2.991 -18.936 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.059 1.518 -19.188 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.938 2.957 -16.866 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.762 4.166 -16.761 1.00 0.37 C ATOM 1315 C ASN A 85 -3.625 4.856 -15.398 1.00 0.29 C ATOM 1316 O ASN A 85 -4.591 4.953 -14.639 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.232 3.824 -17.038 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.120 5.056 -17.065 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.680 6.146 -17.435 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.376 4.894 -16.677 1.00 0.79 N ATOM 0 H ASN A 85 -3.475 2.102 -17.009 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.400 4.870 -17.511 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.307 3.305 -17.993 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.592 3.137 -16.273 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.016 5.688 -16.678 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.703 3.975 -16.378 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.413 5.330 -15.101 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.108 6.040 -13.854 1.00 0.33 C ATOM 1329 C HIS A 86 -2.866 5.469 -12.652 1.00 0.30 C ATOM 1330 O HIS A 86 -3.351 6.222 -11.804 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.410 7.538 -14.009 1.00 0.45 C ATOM 1332 CG HIS A 86 -3.856 7.857 -14.245 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.415 7.929 -15.504 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -4.856 8.136 -13.377 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -5.694 8.240 -15.397 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -5.986 8.370 -14.118 1.00 0.71 N ATOM 0 H HIS A 86 -1.610 5.232 -15.722 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.045 5.900 -13.658 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.078 8.058 -13.111 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -1.824 7.930 -14.840 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -4.779 8.168 -12.300 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.384 8.366 -16.218 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -6.904 8.606 -13.741 1.00 0.71 H new ATOM 1345 N TYR A 87 -2.954 4.146 -12.573 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.647 3.490 -11.471 1.00 0.34 C ATOM 1347 C TYR A 87 -3.211 2.029 -11.356 1.00 0.24 C ATOM 1348 O TYR A 87 -2.845 1.391 -12.355 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.174 3.601 -11.644 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.883 2.281 -11.859 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.219 1.467 -10.785 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.212 1.853 -13.136 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.861 0.262 -10.977 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.854 0.650 -13.337 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.177 -0.144 -12.255 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.811 -1.348 -12.451 1.00 1.27 O ATOM 0 H TYR A 87 -2.554 3.507 -13.260 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.378 3.997 -10.544 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.592 4.083 -10.760 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.384 4.253 -12.492 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.973 1.783 -9.782 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -5.962 2.471 -13.985 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.115 -0.360 -10.131 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.104 0.330 -14.338 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.963 -1.485 -13.409 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.249 1.511 -10.135 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.858 0.133 -9.861 1.00 0.20 C ATOM 1368 C ASN A 88 -3.742 -0.475 -8.776 1.00 0.20 C ATOM 1369 O ASN A 88 -4.565 0.219 -8.173 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.387 0.080 -9.427 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.209 0.119 -7.920 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.431 1.281 -7.322 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.902 -0.891 -7.294 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.550 2.030 -9.310 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.984 -0.447 -10.775 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.932 -0.830 -9.817 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.853 0.919 -9.872 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.739 -1.768 -7.789 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.810 -0.854 -6.279 1.00 0.24 H new ATOM 1380 N THR A 89 -3.566 -1.765 -8.540 1.00 0.23 N ATOM 1381 CA THR A 89 -4.323 -2.481 -7.529 1.00 0.26 C ATOM 1382 C THR A 89 -3.386 -3.308 -6.649 1.00 0.21 C ATOM 1383 O THR A 89 -2.461 -3.955 -7.152 1.00 0.25 O ATOM 1384 CB THR A 89 -5.380 -3.401 -8.171 1.00 0.34 C ATOM 1385 OG1 THR A 89 -4.881 -3.966 -9.396 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.666 -2.635 -8.447 1.00 0.72 C ATOM 0 H THR A 89 -2.894 -2.344 -9.044 1.00 0.23 H new ATOM 0 HA THR A 89 -4.837 -1.742 -6.914 1.00 0.26 H new ATOM 0 HB THR A 89 -5.594 -4.207 -7.469 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.158 -4.904 -9.460 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.398 -3.304 -8.900 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.064 -2.242 -7.511 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.459 -1.809 -9.128 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.619 -3.274 -5.339 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.797 -4.015 -4.387 1.00 0.21 C ATOM 1396 C TYR A 90 -3.626 -5.061 -3.646 1.00 0.23 C ATOM 1397 O TYR A 90 -4.678 -4.740 -3.083 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.168 -3.064 -3.365 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.053 -2.192 -3.900 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.191 -2.728 -4.227 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.235 -0.824 -4.052 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.215 -1.920 -4.688 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.218 -0.014 -4.518 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.004 -0.565 -4.833 1.00 0.31 C ATOM 1405 OH TYR A 90 2.021 0.248 -5.284 1.00 0.36 O ATOM 0 H TYR A 90 -4.374 -2.738 -4.912 1.00 0.21 H new ATOM 0 HA TYR A 90 -2.011 -4.516 -4.953 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.950 -2.420 -2.962 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.780 -3.653 -2.534 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.358 -3.790 -4.119 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.189 -0.385 -3.801 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.175 -2.349 -4.933 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.381 1.047 -4.635 1.00 0.31 H new ATOM 0 HH TYR A 90 2.730 -0.303 -5.676 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.155 -6.304 -3.648 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.844 -7.390 -2.957 1.00 0.26 C ATOM 1417 C ILE A 91 -2.848 -8.255 -2.185 1.00 0.27 C ATOM 1418 O ILE A 91 -1.659 -8.297 -2.519 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.661 -8.278 -3.925 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.768 -8.866 -5.024 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.805 -7.480 -4.536 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.487 -9.846 -5.933 1.00 0.31 C ATOM 0 H ILE A 91 -2.297 -6.585 -4.122 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.542 -6.926 -2.261 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.078 -9.107 -3.354 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.365 -8.052 -5.627 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.919 -9.369 -4.560 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.371 -8.117 -5.215 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.461 -7.120 -3.744 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.402 -6.630 -5.087 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.793 -10.221 -6.685 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.866 -10.680 -5.342 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.319 -9.342 -6.425 1.00 0.31 H new ATOM 1434 N SER A 92 -3.336 -8.930 -1.152 1.00 0.33 N ATOM 1435 CA SER A 92 -2.499 -9.787 -0.322 1.00 0.37 C ATOM 1436 C SER A 92 -2.081 -11.047 -1.082 1.00 0.31 C ATOM 1437 O SER A 92 -2.926 -11.849 -1.475 1.00 0.44 O ATOM 1438 CB SER A 92 -3.258 -10.170 0.949 1.00 0.50 C ATOM 1439 OG SER A 92 -3.895 -9.038 1.520 1.00 0.82 O ATOM 0 H SER A 92 -4.315 -8.900 -0.867 1.00 0.33 H new ATOM 0 HA SER A 92 -1.596 -9.237 -0.056 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.002 -10.932 0.717 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.568 -10.607 1.671 1.00 0.50 H new ATOM 0 HG SER A 92 -3.568 -8.905 2.434 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.773 -11.224 -1.268 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.243 -12.382 -1.989 1.00 0.31 C ATOM 1447 C LYS A 93 -0.543 -13.685 -1.242 1.00 0.29 C ATOM 1448 O LYS A 93 -1.169 -14.595 -1.789 1.00 0.35 O ATOM 1449 CB LYS A 93 1.273 -12.227 -2.199 1.00 0.42 C ATOM 1450 CG LYS A 93 1.963 -13.447 -2.807 1.00 0.55 C ATOM 1451 CD LYS A 93 2.262 -14.509 -1.755 1.00 0.74 C ATOM 1452 CE LYS A 93 3.581 -15.223 -2.022 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.569 -15.985 -3.300 1.00 0.80 N ATOM 0 H LYS A 93 -0.059 -10.579 -0.929 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.735 -12.430 -2.960 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.450 -11.367 -2.845 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.738 -12.005 -1.238 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.329 -13.873 -3.585 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.892 -13.138 -3.287 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.295 -14.044 -0.770 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.452 -15.239 -1.736 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.388 -14.491 -2.047 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.794 -15.905 -1.199 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.159 -16.836 -3.202 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.594 -16.264 -3.529 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.946 -15.388 -4.064 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.097 -13.769 0.008 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.306 -14.971 0.814 1.00 0.31 C ATOM 1469 C LYS A 94 -1.796 -15.254 1.026 1.00 0.31 C ATOM 1470 O LYS A 94 -2.216 -16.412 1.059 1.00 0.56 O ATOM 1471 CB LYS A 94 0.389 -14.842 2.174 1.00 0.36 C ATOM 1472 CG LYS A 94 0.567 -16.172 2.891 1.00 0.55 C ATOM 1473 CD LYS A 94 0.908 -15.979 4.359 1.00 0.55 C ATOM 1474 CE LYS A 94 -0.324 -16.105 5.243 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.020 -16.032 6.686 1.00 0.69 N ATOM 0 H LYS A 94 0.410 -13.023 0.485 1.00 0.28 H new ATOM 0 HA LYS A 94 0.130 -15.806 0.265 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.366 -14.381 2.032 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.191 -14.171 2.808 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.348 -16.757 2.804 1.00 0.55 H new ATOM 0 HG3 LYS A 94 1.358 -16.744 2.406 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.650 -16.718 4.661 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.360 -14.997 4.502 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -1.030 -15.311 4.997 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -0.824 -17.051 5.036 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 -0.821 -15.749 7.229 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 0.346 -16.964 7.013 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 0.775 -15.331 6.828 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.595 -14.200 1.152 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.031 -14.355 1.386 1.00 0.28 C ATOM 1491 C HIS A 95 -4.819 -14.356 0.076 1.00 0.27 C ATOM 1492 O HIS A 95 -5.912 -13.796 0.006 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.549 -13.244 2.308 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.947 -13.265 3.680 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.687 -13.410 4.834 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.658 -13.145 4.078 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.879 -13.374 5.878 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.645 -13.216 5.444 1.00 0.50 N ATOM 0 H HIS A 95 -2.277 -13.232 1.097 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.180 -15.320 1.870 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.345 -12.278 1.847 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.632 -13.333 2.395 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.799 -13.017 3.436 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -4.179 -13.460 6.912 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.814 -13.156 6.032 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.271 -15.005 -0.953 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.933 -15.083 -2.258 1.00 0.35 C ATOM 1509 C ALA A 96 -6.405 -15.475 -2.112 1.00 0.34 C ATOM 1510 O ALA A 96 -7.261 -15.003 -2.865 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.211 -16.073 -3.160 1.00 0.44 C ATOM 0 H ALA A 96 -3.372 -15.484 -0.909 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.892 -14.094 -2.714 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.715 -16.120 -4.126 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.180 -15.749 -3.304 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.220 -17.060 -2.698 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.689 -16.347 -1.143 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.054 -16.799 -0.878 1.00 0.38 C ATOM 1519 C GLU A 97 -8.982 -15.611 -0.610 1.00 0.37 C ATOM 1520 O GLU A 97 -10.149 -15.625 -1.001 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.076 -17.748 0.326 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.260 -19.019 0.128 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.851 -19.936 -0.926 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -8.964 -20.463 -0.709 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.202 -20.138 -1.973 1.00 0.93 O ATOM 0 H GLU A 97 -5.987 -16.756 -0.526 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.409 -17.328 -1.762 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.698 -17.218 1.200 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.109 -18.021 0.541 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.243 -18.752 -0.158 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.195 -19.555 1.075 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.447 -14.584 0.045 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.212 -13.389 0.374 1.00 0.38 C ATOM 1534 C LYS A 98 -8.587 -12.174 -0.308 1.00 0.37 C ATOM 1535 O LYS A 98 -8.102 -11.248 0.348 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.268 -13.196 1.895 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.963 -14.336 2.629 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.851 -14.185 4.135 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.613 -15.284 4.860 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.404 -15.232 6.331 1.00 0.89 N ATOM 0 H LYS A 98 -7.477 -14.558 0.360 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.233 -13.504 0.011 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.252 -13.094 2.278 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.787 -12.263 2.116 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.015 -14.365 2.343 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.524 -15.286 2.325 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -8.802 -14.213 4.428 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -10.240 -13.212 4.435 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -11.677 -15.191 4.642 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -10.294 -16.256 4.483 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -10.941 -15.998 6.785 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -9.392 -15.346 6.542 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.733 -14.315 6.696 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.592 -12.204 -1.635 1.00 0.40 N ATOM 1555 CA ASN A 99 -8.021 -11.131 -2.444 1.00 0.48 C ATOM 1556 C ASN A 99 -8.829 -9.840 -2.313 1.00 0.44 C ATOM 1557 O ASN A 99 -9.675 -9.528 -3.158 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.925 -11.549 -3.922 1.00 0.64 C ATOM 1559 CG ASN A 99 -9.251 -12.029 -4.500 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -10.010 -12.744 -3.841 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -9.538 -11.646 -5.738 1.00 1.07 N ATOM 0 H ASN A 99 -8.990 -12.969 -2.180 1.00 0.40 H new ATOM 0 HA ASN A 99 -7.016 -10.941 -2.068 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.566 -10.704 -4.509 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.185 -12.343 -4.020 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -10.411 -11.943 -6.174 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.886 -11.054 -6.253 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.567 -9.100 -1.244 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.244 -7.834 -0.994 1.00 0.32 C ATOM 1570 C TRP A 100 -8.298 -6.666 -1.269 1.00 0.32 C ATOM 1571 O TRP A 100 -7.133 -6.700 -0.866 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.755 -7.775 0.448 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.932 -8.663 0.701 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.950 -9.816 1.430 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.263 -8.468 0.221 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.217 -10.348 1.438 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -13.042 -9.536 0.702 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.876 -7.487 -0.563 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.398 -9.654 0.415 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.221 -7.606 -0.848 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.970 -8.678 -0.354 1.00 1.08 C ATOM 0 H TRP A 100 -7.885 -9.357 -0.531 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.098 -7.759 -1.667 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.947 -8.055 1.123 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.028 -6.747 0.687 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.094 -10.247 1.928 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.498 -11.206 1.913 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.307 -6.650 -0.939 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.978 -10.486 0.786 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.702 -6.859 -1.462 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.023 -8.737 -0.585 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.803 -5.644 -1.954 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.001 -4.470 -2.299 1.00 0.29 C ATOM 1594 C PHE A 101 -7.648 -3.650 -1.060 1.00 0.29 C ATOM 1595 O PHE A 101 -8.523 -3.310 -0.254 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.743 -3.583 -3.306 1.00 0.34 C ATOM 1597 CG PHE A 101 -8.959 -4.231 -4.644 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.885 -4.500 -5.480 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.236 -4.568 -5.069 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.082 -5.092 -6.713 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.437 -5.161 -6.300 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.361 -5.423 -7.122 1.00 0.64 C ATOM 0 H PHE A 101 -9.768 -5.604 -2.283 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.077 -4.831 -2.750 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.710 -3.305 -2.887 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.180 -2.660 -3.447 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -6.885 -4.244 -5.164 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.082 -4.364 -4.430 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.239 -5.296 -7.356 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.436 -5.419 -6.619 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.517 -5.887 -8.085 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.363 -3.339 -0.912 1.00 0.30 N ATOM 1613 CA VAL A 102 -5.889 -2.549 0.220 1.00 0.35 C ATOM 1614 C VAL A 102 -5.857 -1.065 -0.138 1.00 0.55 C ATOM 1615 O VAL A 102 -5.246 -0.672 -1.133 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.481 -2.986 0.693 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.519 -4.382 1.291 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -3.467 -2.918 -0.444 1.00 0.82 C ATOM 0 H VAL A 102 -5.631 -3.623 -1.563 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.591 -2.721 1.036 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.163 -2.288 1.468 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.518 -4.666 1.616 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -5.195 -4.393 2.146 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.872 -5.090 0.541 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -2.489 -3.231 -0.079 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -3.781 -3.579 -1.252 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -3.405 -1.895 -0.816 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.523 -0.244 0.667 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.551 1.180 0.407 1.00 0.46 C ATOM 1630 C GLY A 103 -6.828 1.994 1.655 1.00 0.41 C ATOM 1631 O GLY A 103 -7.841 1.779 2.330 1.00 0.59 O ATOM 0 H GLY A 103 -7.043 -0.540 1.493 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.595 1.487 -0.018 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.316 1.395 -0.340 1.00 0.46 H new ATOM 1635 N LEU A 104 -5.935 2.929 1.960 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.088 3.788 3.131 1.00 0.34 C ATOM 1637 C LEU A 104 -7.116 4.892 2.857 1.00 0.34 C ATOM 1638 O LEU A 104 -7.871 4.823 1.876 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.732 4.395 3.519 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.101 5.319 2.470 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -4.050 6.752 2.979 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.707 4.833 2.102 1.00 0.66 C ATOM 0 H LEU A 104 -5.095 3.113 1.411 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.451 3.185 3.963 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.856 4.956 4.445 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.036 3.583 3.729 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.722 5.296 1.574 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.599 7.392 2.220 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -5.061 7.099 3.192 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.453 6.793 3.890 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.274 5.500 1.357 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.078 4.826 2.992 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -2.769 3.824 1.694 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.160 5.895 3.730 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.085 7.009 3.580 1.00 0.41 C ATOM 1656 C LYS A 105 -7.565 8.242 4.319 1.00 0.32 C ATOM 1657 O LYS A 105 -6.940 8.127 5.377 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.466 6.618 4.105 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.563 7.611 3.764 1.00 0.58 C ATOM 1660 CD LYS A 105 -10.779 7.726 2.263 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.069 8.468 1.937 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.998 9.911 2.291 1.00 0.60 N ATOM 0 H LYS A 105 -6.561 5.957 4.553 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.167 7.253 2.521 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.734 5.643 3.699 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.414 6.509 5.188 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.493 7.303 4.242 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.306 8.589 4.170 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -9.935 8.248 1.812 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -10.810 6.730 1.822 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.284 8.368 0.873 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -12.897 8.005 2.474 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.925 10.354 2.130 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.736 10.010 3.293 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.283 10.379 1.698 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.842 9.419 3.759 1.00 0.36 N ATOM 1677 CA LYS A 106 -7.389 10.687 4.337 1.00 0.46 C ATOM 1678 C LYS A 106 -7.803 10.846 5.800 1.00 0.51 C ATOM 1679 O LYS A 106 -7.165 11.589 6.543 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.894 11.871 3.504 1.00 0.60 C ATOM 1681 CG LYS A 106 -9.389 12.134 3.617 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.890 12.984 2.453 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.050 14.242 2.263 1.00 1.14 C ATOM 1684 NZ LYS A 106 -9.330 14.916 0.966 1.00 1.43 N ATOM 0 H LYS A 106 -8.382 9.522 2.900 1.00 0.36 H new ATOM 0 HA LYS A 106 -6.299 10.674 4.314 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -7.356 12.769 3.810 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.648 11.693 2.457 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.927 11.186 3.636 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -9.602 12.641 4.558 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -9.870 12.393 1.537 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -10.928 13.264 2.629 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -9.248 14.935 3.081 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -7.993 13.982 2.314 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -8.508 15.489 0.688 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.516 14.200 0.236 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.162 15.531 1.067 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.865 10.152 6.211 1.00 0.53 N ATOM 1699 CA ASN A 107 -9.329 10.221 7.597 1.00 0.70 C ATOM 1700 C ASN A 107 -8.242 9.719 8.558 1.00 0.65 C ATOM 1701 O ASN A 107 -8.292 9.995 9.758 1.00 0.82 O ATOM 1702 CB ASN A 107 -10.612 9.391 7.791 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.323 7.957 8.201 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -10.260 7.059 7.361 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.139 7.734 9.496 1.00 1.38 N ATOM 0 H ASN A 107 -9.416 9.540 5.609 1.00 0.53 H new ATOM 0 HA ASN A 107 -9.549 11.265 7.820 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -11.235 9.864 8.550 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -11.185 9.392 6.863 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.937 6.791 9.827 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.200 8.506 10.160 1.00 1.38 H new ATOM 1712 N GLY A 108 -7.270 8.975 8.026 1.00 0.49 N ATOM 1713 CA GLY A 108 -6.204 8.439 8.848 1.00 0.55 C ATOM 1714 C GLY A 108 -6.499 7.018 9.273 1.00 0.52 C ATOM 1715 O GLY A 108 -6.317 6.657 10.438 1.00 1.00 O ATOM 0 H GLY A 108 -7.206 8.736 7.036 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -5.266 8.468 8.294 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -6.073 9.065 9.731 1.00 0.55 H new ATOM 1719 N SER A 109 -6.980 6.217 8.331 1.00 0.52 N ATOM 1720 CA SER A 109 -7.312 4.825 8.592 1.00 0.56 C ATOM 1721 C SER A 109 -7.299 4.025 7.291 1.00 0.51 C ATOM 1722 O SER A 109 -7.358 4.598 6.199 1.00 0.81 O ATOM 1723 CB SER A 109 -8.698 4.723 9.248 1.00 0.75 C ATOM 1724 OG SER A 109 -8.861 5.676 10.292 1.00 0.97 O ATOM 0 H SER A 109 -7.150 6.513 7.370 1.00 0.52 H new ATOM 0 HA SER A 109 -6.565 4.413 9.271 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.469 4.876 8.493 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.838 3.719 9.648 1.00 0.75 H new ATOM 0 HG SER A 109 -9.589 5.392 10.883 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.204 2.707 7.415 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.205 1.821 6.256 1.00 0.38 C ATOM 1732 C CYS A 110 -8.519 1.053 6.203 1.00 0.36 C ATOM 1733 O CYS A 110 -9.019 0.599 7.235 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.026 0.846 6.318 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.415 1.640 6.536 1.00 0.61 S ATOM 0 H CYS A 110 -7.125 2.226 8.311 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.101 2.423 5.353 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.189 0.149 7.140 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.007 0.258 5.400 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.623 0.842 7.188 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.083 0.907 5.009 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.349 0.202 4.860 1.00 0.44 C ATOM 1743 C LYS A 111 -10.214 -0.996 3.926 1.00 0.47 C ATOM 1744 O LYS A 111 -10.527 -0.914 2.738 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.440 1.154 4.359 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.753 2.291 5.323 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.056 1.781 6.727 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.422 2.917 7.671 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.622 2.439 9.066 1.00 1.27 N ATOM 0 H LYS A 111 -8.688 1.264 4.139 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.637 -0.173 5.842 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.130 1.576 3.403 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.351 0.584 4.176 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.907 2.977 5.361 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.607 2.857 4.951 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -12.876 1.064 6.685 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.188 1.249 7.116 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.634 3.670 7.655 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.333 3.401 7.319 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.870 3.244 9.677 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -13.391 1.739 9.086 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.745 2.000 9.411 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.715 -2.098 4.470 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.552 -3.330 3.706 1.00 0.36 C ATOM 1765 C ARG A 112 -10.527 -4.384 4.222 1.00 0.37 C ATOM 1766 O ARG A 112 -11.182 -5.079 3.441 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.109 -3.843 3.809 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.618 -4.577 2.571 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.324 -5.908 2.377 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.938 -6.894 3.391 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.802 -7.625 4.114 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.118 -7.482 3.956 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.346 -8.501 5.004 1.00 1.57 N ATOM 0 H ARG A 112 -9.414 -2.165 5.442 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.766 -3.126 2.657 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.448 -2.998 4.003 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.033 -4.511 4.667 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.777 -3.952 1.693 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.544 -4.745 2.652 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.402 -5.754 2.415 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.092 -6.299 1.386 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.942 -7.035 3.559 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.480 -6.811 3.279 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.762 -8.044 4.512 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.341 -8.617 5.137 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -9.001 -9.057 5.554 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.606 -4.504 5.545 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.506 -5.458 6.160 1.00 0.43 C ATOM 1789 C GLY A 113 -12.966 -5.023 6.113 1.00 0.41 C ATOM 1790 O GLY A 113 -13.816 -5.799 5.673 1.00 0.46 O ATOM 0 H GLY A 113 -10.057 -3.952 6.204 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.404 -6.420 5.658 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.212 -5.608 7.199 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.296 -3.783 6.550 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.673 -3.273 6.558 1.00 0.50 C ATOM 1796 C PRO A 114 -15.451 -3.649 5.295 1.00 0.41 C ATOM 1797 O PRO A 114 -16.357 -4.487 5.344 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.503 -1.741 6.668 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.029 -1.486 6.663 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.370 -2.772 7.075 1.00 0.52 C ATOM 0 HA PRO A 114 -15.253 -3.702 7.375 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.989 -1.234 5.834 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -14.961 -1.363 7.582 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.692 -1.178 5.673 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -12.773 -0.681 7.352 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.373 -2.873 6.647 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -12.261 -2.844 8.157 1.00 0.52 H new ATOM 1808 N ARG A 115 -15.084 -3.052 4.166 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.760 -3.324 2.904 1.00 0.39 C ATOM 1810 C ARG A 115 -15.070 -2.586 1.757 1.00 0.44 C ATOM 1811 O ARG A 115 -15.413 -1.437 1.451 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.239 -2.912 2.997 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.965 -2.867 1.656 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.819 -1.612 1.529 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.064 -0.396 1.857 1.00 0.90 N ATOM 1816 CZ ARG A 115 -18.616 0.746 2.290 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -19.937 0.857 2.407 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -17.846 1.781 2.610 1.00 1.47 N ATOM 0 H ARG A 115 -14.322 -2.377 4.100 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.707 -4.394 2.703 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.758 -3.610 3.654 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.301 -1.929 3.464 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.237 -2.897 0.845 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.595 -3.750 1.552 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.203 -1.537 0.512 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.682 -1.692 2.190 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.050 -0.422 1.748 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.538 0.069 2.166 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -20.348 1.730 2.737 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -16.832 1.707 2.526 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -18.269 2.649 2.939 1.00 1.47 H new ATOM 1832 N THR A 116 -14.092 -3.241 1.143 1.00 0.36 N ATOM 1833 CA THR A 116 -13.361 -2.657 0.028 1.00 0.38 C ATOM 1834 C THR A 116 -13.973 -3.125 -1.297 1.00 0.39 C ATOM 1835 O THR A 116 -14.024 -4.324 -1.582 1.00 0.51 O ATOM 1836 CB THR A 116 -11.850 -3.004 0.095 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.117 -2.228 -0.861 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.601 -4.485 -0.160 1.00 0.58 C ATOM 0 H THR A 116 -13.787 -4.180 1.400 1.00 0.36 H new ATOM 0 HA THR A 116 -13.445 -1.572 0.092 1.00 0.38 H new ATOM 0 HB THR A 116 -11.507 -2.766 1.102 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.352 -1.804 -0.420 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.532 -4.689 -0.105 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.123 -5.076 0.593 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.970 -4.751 -1.150 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.462 -2.167 -2.083 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.103 -2.442 -3.372 1.00 0.39 C ATOM 1848 C HIS A 117 -15.723 -1.158 -3.930 1.00 0.36 C ATOM 1849 O HIS A 117 -15.526 -0.817 -5.096 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.193 -3.516 -3.233 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.747 -4.904 -3.601 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -14.671 -5.339 -4.304 1.00 0.85 N flip ATOM 1853 CD2 HIS A 117 -16.448 -6.038 -3.243 1.00 0.77 C flip ATOM 1854 CE1 HIS A 117 -14.747 -6.711 -4.355 1.00 0.95 C flip ATOM 1855 NE2 HIS A 117 -15.826 -7.107 -3.709 1.00 0.89 N flip ATOM 0 H HIS A 117 -14.426 -1.176 -1.845 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.339 -2.811 -4.056 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.550 -3.523 -2.203 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.040 -3.241 -3.862 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -17.364 -6.050 -2.670 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -14.037 -7.360 -4.846 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -16.129 -8.074 -3.589 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.475 -0.456 -3.078 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.124 0.797 -3.462 1.00 0.41 C ATOM 1866 C TYR A 118 -16.172 1.972 -3.262 1.00 0.39 C ATOM 1867 O TYR A 118 -15.306 1.935 -2.385 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.396 1.024 -2.635 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.568 0.162 -3.050 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.547 -1.218 -2.875 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.701 0.735 -3.614 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.623 -2.001 -3.251 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.780 -0.039 -3.990 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.738 -1.406 -3.808 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.816 -2.178 -4.186 1.00 1.05 O ATOM 0 H TYR A 118 -16.649 -0.737 -2.113 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.394 0.728 -4.516 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.172 0.833 -1.585 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.685 2.072 -2.713 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -18.677 -1.685 -2.439 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.738 1.804 -3.761 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.592 -3.071 -3.110 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.654 0.423 -4.425 1.00 0.92 H new ATOM 0 HH TYR A 118 -23.516 -1.602 -4.559 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.347 3.010 -4.071 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.505 4.185 -3.966 1.00 0.39 C ATOM 1887 C GLY A 119 -14.143 3.977 -4.600 1.00 0.37 C ATOM 1888 O GLY A 119 -13.376 3.113 -4.170 1.00 0.44 O ATOM 0 H GLY A 119 -17.059 3.058 -4.800 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -16.001 5.029 -4.446 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.378 4.445 -2.915 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.831 4.786 -5.610 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.551 4.687 -6.312 1.00 0.38 C ATOM 1894 C GLN A 120 -11.388 4.559 -5.330 1.00 0.37 C ATOM 1895 O GLN A 120 -10.436 3.828 -5.586 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.327 5.896 -7.223 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.234 5.921 -8.441 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.605 6.639 -9.620 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.939 6.022 -10.453 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -12.809 7.943 -9.703 1.00 1.00 N ATOM 0 H GLN A 120 -14.447 5.519 -5.962 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.589 3.787 -6.925 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.483 6.808 -6.646 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.289 5.902 -7.554 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.477 4.898 -8.730 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.173 6.410 -8.181 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.367 8.418 -8.993 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.409 8.474 -10.477 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.480 5.256 -4.198 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.431 5.211 -3.178 1.00 0.61 C ATOM 1911 C LYS A 121 -10.094 3.769 -2.772 1.00 0.58 C ATOM 1912 O LYS A 121 -9.042 3.522 -2.178 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.850 6.012 -1.940 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.855 5.294 -1.050 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.266 4.969 0.320 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.802 3.519 0.421 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.321 3.385 0.341 1.00 1.70 N ATOM 0 H LYS A 121 -12.269 5.858 -3.964 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.537 5.658 -3.613 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.962 6.245 -1.353 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.278 6.961 -2.262 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.741 5.916 -0.927 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.177 4.373 -1.535 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -10.424 5.632 0.518 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -12.013 5.164 1.090 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.151 3.094 1.362 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.260 2.938 -0.380 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.037 2.449 0.695 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.016 3.488 -0.648 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -8.874 4.124 0.920 1.00 1.70 H new ATOM 1931 N ALA A 122 -11.001 2.830 -3.046 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.776 1.425 -2.715 1.00 0.65 C ATOM 1933 C ALA A 122 -10.016 0.702 -3.831 1.00 0.57 C ATOM 1934 O ALA A 122 -9.428 -0.353 -3.603 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.101 0.732 -2.442 1.00 0.77 C ATOM 0 H ALA A 122 -11.897 3.018 -3.496 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.162 1.386 -1.815 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.920 -0.315 -2.196 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.601 1.220 -1.605 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.733 0.793 -3.328 1.00 0.77 H new ATOM 1941 N ILE A 123 -10.027 1.277 -5.037 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.343 0.682 -6.184 1.00 0.48 C ATOM 1943 C ILE A 123 -8.739 1.775 -7.072 1.00 0.41 C ATOM 1944 O ILE A 123 -8.881 1.750 -8.298 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.298 -0.196 -7.036 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.267 -0.992 -6.149 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.499 -1.144 -7.916 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.533 -0.237 -5.796 1.00 0.79 C ATOM 0 H ILE A 123 -10.503 2.155 -5.242 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.552 0.045 -5.789 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.887 0.469 -7.668 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.537 -1.916 -6.660 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.755 -1.274 -5.229 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.182 -1.754 -8.508 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.857 -0.568 -8.582 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.885 -1.791 -7.290 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.167 -0.863 -5.168 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.275 0.674 -5.256 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.069 0.022 -6.709 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.069 2.739 -6.449 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.451 3.835 -7.182 1.00 0.29 C ATOM 1962 C LEU A 124 -6.216 4.349 -6.446 1.00 0.26 C ATOM 1963 O LEU A 124 -6.298 5.284 -5.645 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.460 4.975 -7.402 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.933 6.182 -8.183 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.373 5.751 -9.531 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.034 7.221 -8.365 1.00 0.58 C ATOM 0 H LEU A 124 -7.941 2.782 -5.438 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.137 3.459 -8.156 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.326 4.574 -7.929 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.810 5.319 -6.429 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.124 6.634 -7.609 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.004 6.625 -10.068 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.554 5.048 -9.377 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.159 5.271 -10.115 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.643 8.072 -8.922 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.865 6.778 -8.915 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.383 7.556 -7.388 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.082 3.712 -6.705 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.822 4.098 -6.080 1.00 0.23 C ATOM 1981 C PHE A 125 -2.766 4.330 -7.156 1.00 0.17 C ATOM 1982 O PHE A 125 -2.680 3.566 -8.126 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.338 3.023 -5.097 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.430 2.139 -4.560 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.308 2.602 -3.593 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.573 0.843 -5.025 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.307 1.787 -3.098 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.572 0.023 -4.534 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.440 0.496 -3.570 1.00 0.54 C ATOM 0 H PHE A 125 -5.008 2.922 -7.346 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.985 5.019 -5.521 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.594 2.401 -5.595 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.837 3.511 -4.261 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -5.210 3.612 -3.222 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -3.897 0.468 -5.779 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.983 2.159 -2.343 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.673 -0.987 -4.904 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.222 -0.143 -3.186 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.974 5.382 -6.982 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.922 5.728 -7.929 1.00 0.19 C ATOM 2001 C LEU A 126 0.452 5.613 -7.267 1.00 0.20 C ATOM 2002 O LEU A 126 0.870 6.500 -6.520 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.138 7.147 -8.469 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.067 7.650 -9.440 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.101 6.856 -10.737 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.261 9.134 -9.719 1.00 0.59 C ATOM 0 H LEU A 126 -2.043 6.015 -6.185 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.963 5.028 -8.764 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.105 7.183 -8.971 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.191 7.835 -7.625 1.00 0.32 H new ATOM 0 HG LEU A 126 0.910 7.507 -8.978 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.668 7.230 -11.413 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.084 5.803 -10.524 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.079 6.965 -11.205 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.508 9.478 -10.411 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.245 9.296 -10.160 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.185 9.693 -8.786 1.00 0.59 H new ATOM 2018 N PRO A 127 1.158 4.499 -7.507 1.00 0.21 N ATOM 2019 CA PRO A 127 2.476 4.257 -6.955 1.00 0.29 C ATOM 2020 C PRO A 127 3.583 4.627 -7.937 1.00 0.25 C ATOM 2021 O PRO A 127 3.386 4.569 -9.153 1.00 0.38 O ATOM 2022 CB PRO A 127 2.446 2.751 -6.727 1.00 0.42 C ATOM 2023 CG PRO A 127 1.566 2.212 -7.814 1.00 0.43 C ATOM 2024 CD PRO A 127 0.728 3.364 -8.331 1.00 0.32 C ATOM 0 HA PRO A 127 2.683 4.848 -6.063 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.447 2.324 -6.781 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.049 2.509 -5.741 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.166 1.783 -8.617 1.00 0.43 H new ATOM 0 HG3 PRO A 127 0.929 1.415 -7.432 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.907 3.547 -9.390 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.338 3.167 -8.218 1.00 0.32 H new ATOM 2032 N LEU A 128 4.742 5.014 -7.414 1.00 0.22 N ATOM 2033 CA LEU A 128 5.870 5.373 -8.268 1.00 0.21 C ATOM 2034 C LEU A 128 6.216 4.206 -9.197 1.00 0.23 C ATOM 2035 O LEU A 128 6.181 3.042 -8.778 1.00 0.26 O ATOM 2036 CB LEU A 128 7.093 5.759 -7.430 1.00 0.23 C ATOM 2037 CG LEU A 128 8.188 6.515 -8.190 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.690 7.881 -8.647 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.429 6.665 -7.327 1.00 0.37 C ATOM 0 H LEU A 128 4.925 5.087 -6.413 1.00 0.22 H new ATOM 0 HA LEU A 128 5.583 6.237 -8.868 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.762 6.374 -6.594 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.525 4.852 -7.007 1.00 0.23 H new ATOM 0 HG LEU A 128 8.448 5.934 -9.075 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.486 8.397 -9.184 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.831 7.753 -9.306 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.396 8.470 -7.778 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.196 7.204 -7.883 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.179 7.220 -6.423 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.804 5.679 -7.055 1.00 0.37 H new ATOM 2051 N PRO A 129 6.547 4.504 -10.469 1.00 0.27 N ATOM 2052 CA PRO A 129 6.892 3.485 -11.474 1.00 0.33 C ATOM 2053 C PRO A 129 7.901 2.449 -10.975 1.00 0.33 C ATOM 2054 O PRO A 129 7.901 1.306 -11.434 1.00 0.67 O ATOM 2055 CB PRO A 129 7.491 4.310 -12.613 1.00 0.45 C ATOM 2056 CG PRO A 129 6.810 5.629 -12.510 1.00 0.47 C ATOM 2057 CD PRO A 129 6.595 5.868 -11.041 1.00 0.30 C ATOM 0 HA PRO A 129 6.021 2.894 -11.755 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.571 4.411 -12.506 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.309 3.843 -13.581 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.420 6.419 -12.949 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.862 5.622 -13.048 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.404 6.456 -10.608 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.670 6.413 -10.855 1.00 0.30 H new ATOM 2065 N VAL A 130 8.766 2.851 -10.050 1.00 0.37 N ATOM 2066 CA VAL A 130 9.766 1.944 -9.498 1.00 0.35 C ATOM 2067 C VAL A 130 9.104 0.695 -8.910 1.00 0.38 C ATOM 2068 O VAL A 130 8.322 0.790 -7.964 1.00 0.57 O ATOM 2069 CB VAL A 130 10.634 2.633 -8.419 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.459 3.753 -9.032 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.776 3.167 -7.278 1.00 0.44 C ATOM 0 H VAL A 130 8.795 3.796 -9.668 1.00 0.37 H new ATOM 0 HA VAL A 130 10.418 1.650 -10.321 1.00 0.35 H new ATOM 0 HB VAL A 130 11.312 1.885 -8.008 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.063 4.226 -8.258 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.112 3.344 -9.803 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.794 4.494 -9.476 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.415 3.646 -6.536 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.064 3.895 -7.668 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.234 2.343 -6.814 1.00 0.44 H new ATOM 2081 N SER A 131 9.409 -0.462 -9.496 1.00 0.34 N ATOM 2082 CA SER A 131 8.852 -1.738 -9.055 1.00 0.40 C ATOM 2083 C SER A 131 9.395 -2.886 -9.912 1.00 0.39 C ATOM 2084 O SER A 131 9.891 -2.660 -11.023 1.00 0.47 O ATOM 2085 CB SER A 131 7.326 -1.713 -9.145 1.00 0.50 C ATOM 2086 OG SER A 131 6.744 -1.310 -7.920 1.00 0.88 O ATOM 0 H SER A 131 10.047 -0.540 -10.288 1.00 0.34 H new ATOM 0 HA SER A 131 9.148 -1.897 -8.018 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.018 -1.031 -9.938 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.960 -2.703 -9.416 1.00 0.50 H new ATOM 0 HG SER A 131 5.805 -1.588 -7.897 1.00 0.88 H new ATOM 2092 N SER A 132 9.305 -4.109 -9.396 1.00 0.48 N ATOM 2093 CA SER A 132 9.776 -5.286 -10.118 1.00 0.54 C ATOM 2094 C SER A 132 9.006 -5.477 -11.426 1.00 0.49 C ATOM 2095 O SER A 132 7.780 -5.346 -11.463 1.00 0.96 O ATOM 2096 CB SER A 132 9.617 -6.543 -9.258 1.00 0.76 C ATOM 2097 OG SER A 132 10.350 -6.455 -8.049 1.00 1.03 O ATOM 0 H SER A 132 8.909 -4.310 -8.478 1.00 0.48 H new ATOM 0 HA SER A 132 10.830 -5.129 -10.346 1.00 0.54 H new ATOM 0 HB2 SER A 132 8.562 -6.696 -9.032 1.00 0.76 H new ATOM 0 HB3 SER A 132 9.952 -7.413 -9.822 1.00 0.76 H new ATOM 0 HG SER A 132 10.482 -7.353 -7.680 1.00 1.03 H new ATOM 2103 N ASP A 133 9.732 -5.772 -12.496 1.00 0.56 N ATOM 2104 CA ASP A 133 9.126 -6.010 -13.800 1.00 0.58 C ATOM 2105 C ASP A 133 9.590 -7.349 -14.353 1.00 0.63 C ATOM 2106 O ASP A 133 10.816 -7.559 -14.441 1.00 0.80 O ATOM 2107 CB ASP A 133 9.472 -4.891 -14.781 1.00 0.80 C ATOM 2108 CG ASP A 133 9.008 -5.205 -16.192 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.837 -4.911 -16.516 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.808 -5.752 -16.979 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.730 -8.187 -14.682 1.00 0.75 O ATOM 0 H ASP A 133 10.749 -5.853 -12.486 1.00 0.56 H new ATOM 0 HA ASP A 133 8.044 -6.028 -13.673 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.011 -3.961 -14.447 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.550 -4.730 -14.782 1.00 0.80 H new