USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=40 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 116 THR OG1 : rot 173:sc= 2.1 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -159:sc= 2.99 (180deg=1.03) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.327 K(o=1.2,f=-13!) USER MOD Set 2.2: A 105 LYS NZ :NH3+ -172:sc= 0.878 (180deg=0) USER MOD Set 3.1: A 85 ASN : amide:sc= -0.486 K(o=-1.8,f=-5.2) USER MOD Set 3.2: A 86 HIS : no HD1:sc= -1.34 K(o=-1.8,f=-2.8) USER MOD Set 4.1: A 48 TYR OH : rot 108:sc= 0.678 USER MOD Set 4.2: A 57 TYR OH : rot 165:sc= 0.0316! USER MOD Set 4.3: A 76 CYS SG : rot 75:sc= -0.319 USER MOD Set 5.1: A 40 SER OG : rot 71:sc= 1.83 USER MOD Set 5.2: A 132 SER OG : rot 31:sc= -1.47! USER MOD Set 6.1: A 36 GLN : amide:sc= -0.53 K(o=2.8,f=1.6!) USER MOD Set 6.2: A 38 GLN : amide:sc= 0.599 K(o=2.8,f=-13!) USER MOD Set 6.3: A 50 LYS NZ :NH3+ 177:sc= 2.72 (180deg=1.41) USER MOD Set 7.1: A 34 HIS : no HE2:sc= -1.4 K(o=-1.7,f=-5!) USER MOD Set 7.2: A 56 GLN : amide:sc= -0.249 K(o=-1.7,f=-4.4) USER MOD Set 8.1: A 33 GLN : amide:sc= -0.267 K(o=0.46,f=-2.6!) USER MOD Set 8.2: A 51 SER OG : rot 30:sc= 0.731 USER MOD Set 9.1: A 8 TYR OH : rot 98:sc= 1.14 USER MOD Set 9.2: A 14 HIS : no HD1:sc= -0.73 X(o=0.41,f=0.53) USER MOD Set10.1: A 5 LYS NZ :NH3+ -174:sc= 3.04 (180deg=2.35) USER MOD Set10.2: A 131 SER OG : rot -131:sc= 2.01 USER MOD Single : A 1 TYR N :NH3+ -143:sc= 0.525 (180deg=0.00126) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0092 (180deg=-0.218) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -160:sc= -0.278 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 27 THR OG1 : rot -33:sc= -2.03! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 128:sc= 1.33 USER MOD Single : A 52 THR OG1 : rot 90:sc= -0.836 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -158:sc= -0.107 (180deg=-0.603) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -64:sc= 1.24 USER MOD Single : A 70 GLN : amide:sc= -0.599 K(o=-0.6,f=-3.8!) USER MOD Single : A 71 THR OG1 : rot -22:sc= 0.623 USER MOD Single : A 73 ASN : amide:sc= 0.918 K(o=0.92,f=-0.55) USER MOD Single : A 87 TYR OH : rot -123:sc= 1.22 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.586 F(o=-3.2!,f=-0.59) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 90 TYR OH : rot 20:sc= 1.24 USER MOD Single : A 92 SER OG : rot 93:sc= 0.44 USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= 1.09 (180deg=0.927) USER MOD Single : A 94 LYS NZ :NH3+ 137:sc= 1.92 (180deg=0.15) USER MOD Single : A 95 HIS : no HD1:sc= 0.289 K(o=0.29,f=-7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.499 K(o=-0.5,f=-5.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -16:sc= 0.896 USER MOD Single : A 110 CYS SG : rot -150:sc= -2.66 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.8) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc=-0.00225 X(o=-0.0023,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.725 -1.708 -9.261 1.00 0.54 N ATOM 2 CA TYR A 1 15.339 -2.176 -9.016 1.00 0.51 C ATOM 3 C TYR A 1 14.714 -1.464 -7.813 1.00 0.43 C ATOM 4 O TYR A 1 13.609 -0.932 -7.911 1.00 0.59 O ATOM 5 CB TYR A 1 15.299 -3.704 -8.827 1.00 0.57 C ATOM 6 CG TYR A 1 16.186 -4.237 -7.720 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.713 -4.363 -6.419 1.00 0.53 C ATOM 8 CD2 TYR A 1 17.493 -4.626 -7.979 1.00 0.77 C ATOM 9 CE1 TYR A 1 16.517 -4.858 -5.411 1.00 0.65 C ATOM 10 CE2 TYR A 1 18.303 -5.121 -6.976 1.00 0.93 C ATOM 11 CZ TYR A 1 17.813 -5.236 -5.694 1.00 0.85 C ATOM 12 OH TYR A 1 18.622 -5.737 -4.696 1.00 1.08 O ATOM 0 H1 TYR A 1 16.900 -1.664 -10.285 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.850 -0.762 -8.847 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.397 -2.370 -8.823 1.00 0.54 H new ATOM 0 HA TYR A 1 14.747 -1.925 -9.896 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.271 -4.003 -8.623 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.589 -4.178 -9.764 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.699 -4.069 -6.192 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.883 -4.540 -8.982 1.00 0.77 H new ATOM 0 HE1 TYR A 1 16.133 -4.949 -4.406 1.00 0.65 H new ATOM 0 HE2 TYR A 1 19.318 -5.417 -7.196 1.00 0.93 H new ATOM 0 HH TYR A 1 19.503 -5.955 -5.067 1.00 1.08 H new ATOM 24 N LYS A 2 15.422 -1.434 -6.684 1.00 0.35 N ATOM 25 CA LYS A 2 14.897 -0.790 -5.489 1.00 0.39 C ATOM 26 C LYS A 2 15.083 0.720 -5.577 1.00 0.34 C ATOM 27 O LYS A 2 16.203 1.214 -5.734 1.00 0.48 O ATOM 28 CB LYS A 2 15.555 -1.352 -4.214 1.00 0.54 C ATOM 29 CG LYS A 2 16.860 -0.672 -3.806 1.00 0.73 C ATOM 30 CD LYS A 2 17.986 -0.972 -4.784 1.00 1.05 C ATOM 31 CE LYS A 2 19.296 -0.335 -4.342 1.00 1.15 C ATOM 32 NZ LYS A 2 19.779 -0.900 -3.053 1.00 1.40 N ATOM 0 H LYS A 2 16.350 -1.844 -6.576 1.00 0.35 H new ATOM 0 HA LYS A 2 13.830 -1.005 -5.429 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.846 -1.267 -3.390 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.747 -2.415 -4.361 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.706 0.406 -3.750 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.147 -1.006 -2.809 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.116 -2.051 -4.870 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.717 -0.603 -5.774 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.052 -0.488 -5.112 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.160 0.741 -4.239 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.771 -0.625 -2.903 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.196 -0.534 -2.273 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.708 -1.937 -3.080 1.00 1.40 H new ATOM 46 N LYS A 3 13.980 1.443 -5.504 1.00 0.28 N ATOM 47 CA LYS A 3 14.007 2.896 -5.568 1.00 0.26 C ATOM 48 C LYS A 3 12.953 3.481 -4.637 1.00 0.26 C ATOM 49 O LYS A 3 12.004 2.789 -4.259 1.00 0.29 O ATOM 50 CB LYS A 3 13.763 3.382 -6.997 1.00 0.30 C ATOM 51 CG LYS A 3 14.905 3.074 -7.955 1.00 0.49 C ATOM 52 CD LYS A 3 14.782 3.882 -9.235 1.00 0.55 C ATOM 53 CE LYS A 3 16.049 3.796 -10.072 1.00 0.78 C ATOM 54 NZ LYS A 3 16.055 4.791 -11.179 1.00 1.18 N ATOM 0 H LYS A 3 13.047 1.045 -5.400 1.00 0.28 H new ATOM 0 HA LYS A 3 14.994 3.233 -5.251 1.00 0.26 H new ATOM 0 HB2 LYS A 3 12.850 2.923 -7.376 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.595 4.459 -6.981 1.00 0.30 H new ATOM 0 HG2 LYS A 3 15.857 3.295 -7.473 1.00 0.49 H new ATOM 0 HG3 LYS A 3 14.907 2.010 -8.192 1.00 0.49 H new ATOM 0 HD2 LYS A 3 13.935 3.518 -9.816 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.576 4.924 -8.990 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.917 3.959 -9.433 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.142 2.792 -10.486 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 16.936 4.698 -11.724 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 15.241 4.620 -11.804 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 15.992 5.751 -10.783 1.00 1.18 H new ATOM 68 N PRO A 4 13.110 4.758 -4.249 1.00 0.28 N ATOM 69 CA PRO A 4 12.157 5.434 -3.365 1.00 0.30 C ATOM 70 C PRO A 4 10.768 5.506 -3.995 1.00 0.27 C ATOM 71 O PRO A 4 10.526 6.316 -4.892 1.00 0.35 O ATOM 72 CB PRO A 4 12.745 6.842 -3.192 1.00 0.35 C ATOM 73 CG PRO A 4 14.174 6.724 -3.602 1.00 0.43 C ATOM 74 CD PRO A 4 14.218 5.644 -4.641 1.00 0.37 C ATOM 0 HA PRO A 4 12.028 4.908 -2.419 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.217 7.568 -3.811 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.659 7.180 -2.159 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.544 7.667 -4.004 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.805 6.471 -2.750 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.078 6.045 -5.645 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.174 5.120 -4.637 1.00 0.37 H new ATOM 82 N LYS A 5 9.872 4.637 -3.548 1.00 0.24 N ATOM 83 CA LYS A 5 8.513 4.604 -4.071 1.00 0.22 C ATOM 84 C LYS A 5 7.535 5.218 -3.070 1.00 0.25 C ATOM 85 O LYS A 5 7.762 5.187 -1.862 1.00 0.48 O ATOM 86 CB LYS A 5 8.093 3.161 -4.396 1.00 0.24 C ATOM 87 CG LYS A 5 6.717 3.045 -5.047 1.00 0.24 C ATOM 88 CD LYS A 5 6.208 1.609 -5.056 1.00 0.34 C ATOM 89 CE LYS A 5 6.908 0.761 -6.110 1.00 0.35 C ATOM 90 NZ LYS A 5 6.066 0.549 -7.325 1.00 0.40 N ATOM 0 H LYS A 5 10.062 3.945 -2.823 1.00 0.24 H new ATOM 0 HA LYS A 5 8.490 5.192 -4.989 1.00 0.22 H new ATOM 0 HB2 LYS A 5 8.836 2.718 -5.060 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.099 2.576 -3.476 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.008 3.677 -4.512 1.00 0.24 H new ATOM 0 HG3 LYS A 5 6.767 3.418 -6.070 1.00 0.24 H new ATOM 0 HD2 LYS A 5 6.361 1.164 -4.073 1.00 0.34 H new ATOM 0 HD3 LYS A 5 5.134 1.606 -5.243 1.00 0.34 H new ATOM 0 HE2 LYS A 5 7.842 1.244 -6.399 1.00 0.35 H new ATOM 0 HE3 LYS A 5 7.169 -0.206 -5.679 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 6.544 -0.115 -7.967 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.144 0.157 -7.045 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 5.923 1.457 -7.811 1.00 0.40 H new ATOM 104 N LEU A 6 6.452 5.783 -3.581 1.00 0.22 N ATOM 105 CA LEU A 6 5.424 6.379 -2.741 1.00 0.23 C ATOM 106 C LEU A 6 4.063 5.825 -3.148 1.00 0.22 C ATOM 107 O LEU A 6 3.849 5.502 -4.319 1.00 0.25 O ATOM 108 CB LEU A 6 5.438 7.913 -2.844 1.00 0.27 C ATOM 109 CG LEU A 6 4.856 8.503 -4.135 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.425 9.948 -3.911 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.868 8.421 -5.272 1.00 0.50 C ATOM 0 H LEU A 6 6.261 5.841 -4.581 1.00 0.22 H new ATOM 0 HA LEU A 6 5.626 6.122 -1.701 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.883 8.320 -1.999 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.468 8.255 -2.743 1.00 0.27 H new ATOM 0 HG LEU A 6 3.981 7.917 -4.414 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.014 10.353 -4.836 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.665 9.984 -3.130 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.287 10.542 -3.606 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.433 8.845 -6.177 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.764 8.981 -5.003 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.131 7.378 -5.450 1.00 0.50 H new ATOM 123 N LEU A 7 3.165 5.695 -2.181 1.00 0.24 N ATOM 124 CA LEU A 7 1.826 5.173 -2.438 1.00 0.26 C ATOM 125 C LEU A 7 0.808 6.308 -2.416 1.00 0.22 C ATOM 126 O LEU A 7 0.219 6.613 -1.378 1.00 0.24 O ATOM 127 CB LEU A 7 1.467 4.105 -1.397 1.00 0.32 C ATOM 128 CG LEU A 7 0.099 3.440 -1.576 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.023 2.709 -2.909 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.176 2.483 -0.427 1.00 0.46 C ATOM 0 H LEU A 7 3.339 5.944 -1.207 1.00 0.24 H new ATOM 0 HA LEU A 7 1.808 4.712 -3.426 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.233 3.330 -1.419 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.503 4.561 -0.408 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.664 4.218 -1.572 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.958 2.245 -3.014 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.178 3.418 -3.722 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.795 1.940 -2.947 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.152 2.017 -0.567 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.594 1.712 -0.403 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.168 3.033 0.514 1.00 0.46 H new ATOM 142 N TYR A 8 0.609 6.930 -3.569 1.00 0.22 N ATOM 143 CA TYR A 8 -0.315 8.044 -3.685 1.00 0.21 C ATOM 144 C TYR A 8 -1.738 7.558 -3.935 1.00 0.21 C ATOM 145 O TYR A 8 -1.987 6.767 -4.847 1.00 0.29 O ATOM 146 CB TYR A 8 0.126 8.972 -4.819 1.00 0.24 C ATOM 147 CG TYR A 8 -0.372 10.390 -4.673 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.682 10.724 -4.987 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.476 11.393 -4.225 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.134 12.022 -4.858 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.033 12.692 -4.092 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.272 13.003 -4.408 1.00 0.50 C ATOM 153 OH TYR A 8 -1.715 14.300 -4.283 1.00 0.63 O ATOM 0 H TYR A 8 1.078 6.679 -4.439 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.305 8.592 -2.743 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.215 8.982 -4.865 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.230 8.567 -5.767 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.357 9.957 -5.337 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.499 11.152 -3.977 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.155 12.269 -5.107 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.705 13.462 -3.742 1.00 0.56 H new ATOM 0 HH TYR A 8 -1.966 14.472 -3.351 1.00 0.63 H new ATOM 163 N CYS A 9 -2.664 8.025 -3.114 1.00 0.23 N ATOM 164 CA CYS A 9 -4.068 7.666 -3.251 1.00 0.27 C ATOM 165 C CYS A 9 -4.857 8.879 -3.735 1.00 0.28 C ATOM 166 O CYS A 9 -4.859 9.928 -3.086 1.00 0.30 O ATOM 167 CB CYS A 9 -4.626 7.161 -1.917 1.00 0.30 C ATOM 168 SG CYS A 9 -3.687 5.791 -1.193 1.00 0.37 S ATOM 0 H CYS A 9 -2.467 8.659 -2.339 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.162 6.863 -3.982 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.646 7.988 -1.208 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.658 6.842 -2.064 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.430 5.164 -0.330 1.00 0.37 H new ATOM 174 N SER A 10 -5.512 8.746 -4.882 1.00 0.37 N ATOM 175 CA SER A 10 -6.283 9.846 -5.443 1.00 0.42 C ATOM 176 C SER A 10 -7.620 9.985 -4.719 1.00 0.39 C ATOM 177 O SER A 10 -8.669 9.592 -5.240 1.00 0.51 O ATOM 178 CB SER A 10 -6.505 9.647 -6.949 1.00 0.56 C ATOM 179 OG SER A 10 -7.004 10.832 -7.559 1.00 1.23 O ATOM 0 H SER A 10 -5.524 7.891 -5.439 1.00 0.37 H new ATOM 0 HA SER A 10 -5.715 10.766 -5.302 1.00 0.42 H new ATOM 0 HB2 SER A 10 -5.566 9.359 -7.422 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.207 8.829 -7.110 1.00 0.56 H new ATOM 0 HG SER A 10 -7.134 10.676 -8.518 1.00 1.23 H new ATOM 185 N ASN A 11 -7.576 10.522 -3.505 1.00 0.33 N ATOM 186 CA ASN A 11 -8.784 10.728 -2.713 1.00 0.36 C ATOM 187 C ASN A 11 -8.730 12.065 -1.971 1.00 0.35 C ATOM 188 O ASN A 11 -9.277 12.199 -0.872 1.00 0.47 O ATOM 189 CB ASN A 11 -8.981 9.573 -1.719 1.00 0.44 C ATOM 190 CG ASN A 11 -10.429 9.425 -1.268 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.706 9.235 -0.081 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.366 9.484 -2.210 1.00 0.75 N ATOM 0 H ASN A 11 -6.716 10.823 -3.047 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.634 10.750 -3.395 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.652 8.642 -2.180 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.348 9.738 -0.847 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.348 9.371 -1.960 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.102 9.643 -3.182 1.00 0.75 H new ATOM 199 N GLY A 12 -8.078 13.054 -2.583 1.00 0.38 N ATOM 200 CA GLY A 12 -7.971 14.368 -1.976 1.00 0.45 C ATOM 201 C GLY A 12 -6.778 14.492 -1.048 1.00 0.46 C ATOM 202 O GLY A 12 -6.778 13.936 0.053 1.00 0.87 O ATOM 0 H GLY A 12 -7.622 12.965 -3.491 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.895 15.120 -2.761 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.883 14.581 -1.418 1.00 0.45 H new ATOM 206 N GLY A 13 -5.761 15.227 -1.489 1.00 0.38 N ATOM 207 CA GLY A 13 -4.573 15.422 -0.680 1.00 0.36 C ATOM 208 C GLY A 13 -3.395 14.593 -1.157 1.00 0.31 C ATOM 209 O GLY A 13 -3.281 14.284 -2.348 1.00 0.40 O ATOM 0 H GLY A 13 -5.740 15.692 -2.396 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.299 16.477 -0.694 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.797 15.164 0.355 1.00 0.36 H new ATOM 213 N HIS A 14 -2.514 14.237 -0.227 1.00 0.26 N ATOM 214 CA HIS A 14 -1.330 13.442 -0.536 1.00 0.24 C ATOM 215 C HIS A 14 -1.206 12.296 0.468 1.00 0.22 C ATOM 216 O HIS A 14 -1.744 12.381 1.572 1.00 0.30 O ATOM 217 CB HIS A 14 -0.070 14.319 -0.503 1.00 0.28 C ATOM 218 CG HIS A 14 -0.104 15.483 -1.450 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.851 16.619 -1.223 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.529 15.687 -2.630 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.678 17.465 -2.219 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.156 16.926 -3.087 1.00 0.66 N ATOM 0 H HIS A 14 -2.600 14.490 0.757 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.432 13.029 -1.540 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.071 14.694 0.511 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.796 13.700 -0.737 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.203 15.001 -3.121 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -1.141 18.436 -2.309 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.472 17.359 -3.955 1.00 0.66 H new ATOM 231 N PHE A 15 -0.503 11.231 0.095 1.00 0.20 N ATOM 232 CA PHE A 15 -0.339 10.077 0.977 1.00 0.21 C ATOM 233 C PHE A 15 1.053 9.471 0.831 1.00 0.21 C ATOM 234 O PHE A 15 1.488 9.180 -0.285 1.00 0.23 O ATOM 235 CB PHE A 15 -1.396 9.014 0.659 1.00 0.27 C ATOM 236 CG PHE A 15 -2.808 9.476 0.876 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.421 9.308 2.105 1.00 0.43 C ATOM 238 CD2 PHE A 15 -3.520 10.078 -0.149 1.00 0.31 C ATOM 239 CE1 PHE A 15 -4.721 9.732 2.308 1.00 0.50 C ATOM 240 CE2 PHE A 15 -4.818 10.504 0.047 1.00 0.37 C ATOM 241 CZ PHE A 15 -5.421 10.331 1.278 1.00 0.45 C ATOM 0 H PHE A 15 -0.039 11.142 -0.809 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.464 10.419 2.004 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.282 8.701 -0.379 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.212 8.136 1.278 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.878 8.841 2.914 1.00 0.43 H new ATOM 0 HD2 PHE A 15 -3.053 10.216 -1.113 1.00 0.31 H new ATOM 0 HE1 PHE A 15 -5.190 9.595 3.271 1.00 0.50 H new ATOM 0 HE2 PHE A 15 -5.362 10.972 -0.761 1.00 0.37 H new ATOM 0 HZ PHE A 15 -6.437 10.663 1.435 1.00 0.45 H new ATOM 251 N LEU A 16 1.755 9.299 1.957 1.00 0.20 N ATOM 252 CA LEU A 16 3.100 8.709 1.943 1.00 0.22 C ATOM 253 C LEU A 16 3.750 8.692 3.339 1.00 0.23 C ATOM 254 O LEU A 16 4.968 8.818 3.460 1.00 0.33 O ATOM 255 CB LEU A 16 4.004 9.455 0.949 1.00 0.23 C ATOM 256 CG LEU A 16 3.915 10.985 0.987 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.704 11.550 2.158 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.406 11.578 -0.326 1.00 0.45 C ATOM 0 H LEU A 16 1.418 9.558 2.884 1.00 0.20 H new ATOM 0 HA LEU A 16 2.988 7.673 1.625 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.038 9.165 1.138 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.758 9.120 -0.059 1.00 0.23 H new ATOM 0 HG LEU A 16 2.869 11.260 1.124 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.623 12.637 2.160 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.303 11.154 3.091 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.752 11.264 2.063 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.336 12.665 -0.283 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.443 11.287 -0.491 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.790 11.207 -1.145 1.00 0.45 H new ATOM 270 N ARG A 17 2.953 8.506 4.391 1.00 0.24 N ATOM 271 CA ARG A 17 3.495 8.475 5.748 1.00 0.26 C ATOM 272 C ARG A 17 3.025 7.236 6.500 1.00 0.22 C ATOM 273 O ARG A 17 1.863 6.844 6.406 1.00 0.29 O ATOM 274 CB ARG A 17 3.097 9.731 6.525 1.00 0.34 C ATOM 275 CG ARG A 17 3.503 9.692 7.989 1.00 0.47 C ATOM 276 CD ARG A 17 3.367 11.056 8.644 1.00 0.53 C ATOM 277 NE ARG A 17 2.016 11.602 8.511 1.00 0.54 N ATOM 278 CZ ARG A 17 1.724 12.903 8.545 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.684 13.808 8.735 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.464 13.300 8.396 1.00 0.86 N ATOM 0 H ARG A 17 1.943 8.376 4.331 1.00 0.24 H new ATOM 0 HA ARG A 17 4.581 8.441 5.664 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.553 10.601 6.053 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.017 9.863 6.459 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.883 8.969 8.520 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.534 9.349 8.072 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.622 10.977 9.701 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.081 11.746 8.194 1.00 0.53 H new ATOM 0 HE ARG A 17 1.247 10.944 8.384 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.651 13.508 8.856 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.451 14.801 8.760 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.275 12.611 8.256 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.236 14.294 8.421 1.00 0.86 H new ATOM 294 N ILE A 18 3.941 6.636 7.251 1.00 0.21 N ATOM 295 CA ILE A 18 3.649 5.445 8.033 1.00 0.20 C ATOM 296 C ILE A 18 4.181 5.614 9.454 1.00 0.20 C ATOM 297 O ILE A 18 5.377 5.856 9.651 1.00 0.26 O ATOM 298 CB ILE A 18 4.257 4.175 7.385 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.889 2.923 8.191 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.770 4.301 7.255 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.412 2.592 8.154 1.00 0.33 C ATOM 0 H ILE A 18 4.904 6.962 7.334 1.00 0.21 H new ATOM 0 HA ILE A 18 2.567 5.318 8.062 1.00 0.20 H new ATOM 0 HB ILE A 18 3.836 4.075 6.384 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.453 2.074 7.805 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.195 3.065 9.227 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.172 3.397 6.798 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.011 5.162 6.631 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.210 4.434 8.243 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.225 1.695 8.745 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.842 3.424 8.567 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.104 2.418 7.123 1.00 0.33 H new ATOM 313 N LEU A 19 3.290 5.522 10.432 1.00 0.21 N ATOM 314 CA LEU A 19 3.673 5.665 11.831 1.00 0.24 C ATOM 315 C LEU A 19 4.138 4.324 12.395 1.00 0.23 C ATOM 316 O LEU A 19 3.484 3.296 12.183 1.00 0.22 O ATOM 317 CB LEU A 19 2.502 6.209 12.660 1.00 0.30 C ATOM 318 CG LEU A 19 2.193 7.699 12.464 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.438 8.547 12.695 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.624 7.954 11.077 1.00 0.48 C ATOM 0 H LEU A 19 2.296 5.349 10.283 1.00 0.21 H new ATOM 0 HA LEU A 19 4.498 6.375 11.888 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.608 5.635 12.416 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.714 6.035 13.715 1.00 0.30 H new ATOM 0 HG LEU A 19 1.443 7.987 13.201 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.193 9.599 12.550 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.798 8.395 13.712 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.214 8.254 11.988 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.412 9.017 10.960 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.348 7.643 10.324 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.703 7.385 10.951 1.00 0.48 H new ATOM 332 N PRO A 20 5.257 4.328 13.143 1.00 0.29 N ATOM 333 CA PRO A 20 5.834 3.115 13.738 1.00 0.33 C ATOM 334 C PRO A 20 4.796 2.309 14.519 1.00 0.30 C ATOM 335 O PRO A 20 4.814 1.072 14.507 1.00 0.36 O ATOM 336 CB PRO A 20 6.927 3.648 14.680 1.00 0.41 C ATOM 337 CG PRO A 20 6.678 5.116 14.794 1.00 0.55 C ATOM 338 CD PRO A 20 6.038 5.522 13.499 1.00 0.38 C ATOM 0 HA PRO A 20 6.216 2.433 12.978 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.874 3.164 15.655 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.921 3.449 14.279 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.026 5.338 15.639 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.609 5.659 14.958 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.404 6.401 13.617 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.780 5.764 12.738 1.00 0.38 H new ATOM 346 N ASP A 21 3.878 3.015 15.180 1.00 0.27 N ATOM 347 CA ASP A 21 2.822 2.367 15.957 1.00 0.30 C ATOM 348 C ASP A 21 2.031 1.395 15.081 1.00 0.29 C ATOM 349 O ASP A 21 1.459 0.424 15.584 1.00 0.41 O ATOM 350 CB ASP A 21 1.876 3.402 16.581 1.00 0.36 C ATOM 351 CG ASP A 21 2.279 3.785 17.994 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.072 2.974 18.922 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.804 4.901 18.185 1.00 0.95 O ATOM 0 H ASP A 21 3.845 4.034 15.193 1.00 0.27 H new ATOM 0 HA ASP A 21 3.298 1.810 16.764 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.859 4.296 15.957 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.862 3.002 16.592 1.00 0.36 H new ATOM 358 N GLY A 22 2.010 1.655 13.772 1.00 0.24 N ATOM 359 CA GLY A 22 1.301 0.792 12.851 1.00 0.27 C ATOM 360 C GLY A 22 0.124 1.476 12.185 1.00 0.27 C ATOM 361 O GLY A 22 -0.994 0.962 12.218 1.00 0.35 O ATOM 0 H GLY A 22 2.475 2.452 13.337 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.992 0.442 12.084 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.947 -0.089 13.387 1.00 0.27 H new ATOM 365 N THR A 23 0.363 2.630 11.570 1.00 0.24 N ATOM 366 CA THR A 23 -0.707 3.361 10.900 1.00 0.27 C ATOM 367 C THR A 23 -0.167 4.244 9.772 1.00 0.22 C ATOM 368 O THR A 23 0.907 4.838 9.897 1.00 0.25 O ATOM 369 CB THR A 23 -1.489 4.235 11.903 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.679 3.521 13.135 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.841 4.639 11.334 1.00 0.43 C ATOM 0 H THR A 23 1.279 3.076 11.521 1.00 0.24 H new ATOM 0 HA THR A 23 -1.378 2.618 10.469 1.00 0.27 H new ATOM 0 HB THR A 23 -0.907 5.137 12.091 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.175 4.084 13.766 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.372 5.254 12.060 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.694 5.207 10.415 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.427 3.745 11.118 1.00 0.43 H new ATOM 379 N VAL A 24 -0.919 4.307 8.675 1.00 0.25 N ATOM 380 CA VAL A 24 -0.553 5.111 7.512 1.00 0.24 C ATOM 381 C VAL A 24 -1.606 6.196 7.286 1.00 0.28 C ATOM 382 O VAL A 24 -2.804 5.946 7.460 1.00 0.37 O ATOM 383 CB VAL A 24 -0.425 4.231 6.241 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.753 3.582 5.886 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.111 5.037 5.065 1.00 0.32 C ATOM 0 H VAL A 24 -1.799 3.802 8.568 1.00 0.25 H new ATOM 0 HA VAL A 24 0.416 5.572 7.705 1.00 0.24 H new ATOM 0 HB VAL A 24 0.290 3.439 6.461 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.632 2.972 4.991 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.083 2.953 6.713 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.498 4.356 5.699 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.190 4.394 4.189 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.568 5.862 4.850 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.095 5.433 5.314 1.00 0.32 H new ATOM 395 N ASP A 25 -1.169 7.395 6.914 1.00 0.28 N ATOM 396 CA ASP A 25 -2.093 8.504 6.688 1.00 0.35 C ATOM 397 C ASP A 25 -1.643 9.385 5.519 1.00 0.27 C ATOM 398 O ASP A 25 -0.705 9.043 4.788 1.00 0.26 O ATOM 399 CB ASP A 25 -2.245 9.336 7.971 1.00 0.50 C ATOM 400 CG ASP A 25 -1.156 10.380 8.151 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.034 10.010 8.197 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.491 11.582 8.261 1.00 1.19 O ATOM 0 H ASP A 25 -0.187 7.624 6.763 1.00 0.28 H new ATOM 0 HA ASP A 25 -3.063 8.084 6.423 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.215 9.833 7.959 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.241 8.666 8.831 1.00 0.50 H new ATOM 407 N GLY A 26 -2.330 10.515 5.342 1.00 0.27 N ATOM 408 CA GLY A 26 -2.017 11.429 4.260 1.00 0.26 C ATOM 409 C GLY A 26 -0.847 12.340 4.580 1.00 0.32 C ATOM 410 O GLY A 26 -0.744 12.870 5.688 1.00 0.72 O ATOM 0 H GLY A 26 -3.104 10.812 5.936 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.790 10.856 3.361 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.894 12.036 4.038 1.00 0.26 H new ATOM 414 N THR A 27 0.026 12.537 3.601 1.00 0.25 N ATOM 415 CA THR A 27 1.205 13.381 3.762 1.00 0.23 C ATOM 416 C THR A 27 1.775 13.762 2.395 1.00 0.23 C ATOM 417 O THR A 27 1.525 13.074 1.403 1.00 0.26 O ATOM 418 CB THR A 27 2.299 12.666 4.584 1.00 0.30 C ATOM 419 OG1 THR A 27 1.714 11.956 5.680 1.00 0.60 O ATOM 420 CG2 THR A 27 3.321 13.659 5.118 1.00 0.65 C ATOM 0 H THR A 27 -0.062 12.118 2.675 1.00 0.25 H new ATOM 0 HA THR A 27 0.895 14.279 4.297 1.00 0.23 H new ATOM 0 HB THR A 27 2.805 11.964 3.921 1.00 0.30 H new ATOM 0 HG1 THR A 27 0.931 12.446 6.006 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.079 13.127 5.693 1.00 0.65 H new ATOM 0 HG22 THR A 27 3.795 14.177 4.284 1.00 0.65 H new ATOM 0 HG23 THR A 27 2.822 14.385 5.760 1.00 0.65 H new ATOM 428 N ARG A 28 2.521 14.861 2.345 1.00 0.26 N ATOM 429 CA ARG A 28 3.125 15.329 1.100 1.00 0.29 C ATOM 430 C ARG A 28 4.649 15.279 1.193 1.00 0.29 C ATOM 431 O ARG A 28 5.221 15.648 2.220 1.00 0.39 O ATOM 432 CB ARG A 28 2.660 16.757 0.793 1.00 0.36 C ATOM 433 CG ARG A 28 3.225 17.806 1.742 1.00 0.44 C ATOM 434 CD ARG A 28 2.453 19.115 1.653 1.00 0.57 C ATOM 435 NE ARG A 28 1.139 19.026 2.295 1.00 0.66 N ATOM 436 CZ ARG A 28 0.922 19.223 3.601 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.936 19.495 4.424 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.315 19.145 4.085 1.00 1.12 N ATOM 0 H ARG A 28 2.723 15.447 3.155 1.00 0.26 H new ATOM 0 HA ARG A 28 2.806 14.672 0.291 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.948 17.011 -0.227 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.571 16.791 0.835 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.188 17.430 2.764 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.274 17.985 1.505 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.032 19.909 2.123 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.326 19.390 0.606 1.00 0.57 H new ATOM 0 HE ARG A 28 0.336 18.799 1.708 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.887 19.554 4.060 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.761 19.644 5.418 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.094 18.936 3.461 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.484 19.295 5.080 1.00 1.12 H new ATOM 452 N ASP A 29 5.300 14.818 0.131 1.00 0.27 N ATOM 453 CA ASP A 29 6.760 14.723 0.096 1.00 0.29 C ATOM 454 C ASP A 29 7.240 14.593 -1.351 1.00 0.30 C ATOM 455 O ASP A 29 6.429 14.436 -2.269 1.00 0.37 O ATOM 456 CB ASP A 29 7.244 13.520 0.926 1.00 0.31 C ATOM 457 CG ASP A 29 8.656 13.695 1.469 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.597 13.859 0.668 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.831 13.681 2.707 1.00 0.53 O ATOM 0 H ASP A 29 4.840 14.502 -0.723 1.00 0.27 H new ATOM 0 HA ASP A 29 7.179 15.631 0.530 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.558 13.362 1.759 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.208 12.623 0.308 1.00 0.31 H new ATOM 464 N ARG A 30 8.548 14.653 -1.557 1.00 0.35 N ATOM 465 CA ARG A 30 9.127 14.541 -2.889 1.00 0.39 C ATOM 466 C ARG A 30 9.229 13.072 -3.292 1.00 0.37 C ATOM 467 O ARG A 30 10.312 12.487 -3.270 1.00 0.41 O ATOM 468 CB ARG A 30 10.508 15.212 -2.932 1.00 0.48 C ATOM 469 CG ARG A 30 11.196 15.115 -4.285 1.00 0.53 C ATOM 470 CD ARG A 30 10.392 15.805 -5.370 1.00 0.62 C ATOM 471 NE ARG A 30 10.936 15.556 -6.708 1.00 0.72 N ATOM 472 CZ ARG A 30 10.200 15.512 -7.824 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.878 15.666 -7.765 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.791 15.306 -9.001 1.00 1.02 N ATOM 0 H ARG A 30 9.233 14.780 -0.812 1.00 0.35 H new ATOM 0 HA ARG A 30 8.478 15.053 -3.600 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.399 16.263 -2.665 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.147 14.755 -2.176 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.187 15.565 -4.223 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.338 14.067 -4.547 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.359 15.459 -5.330 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.376 16.878 -5.181 1.00 0.62 H new ATOM 0 HE ARG A 30 11.941 15.407 -6.794 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.422 15.818 -6.865 1.00 1.07 H new ATOM 0 HH12 ARG A 30 8.322 15.632 -8.619 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.802 15.182 -9.049 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.232 15.272 -9.853 1.00 1.02 H new ATOM 488 N SER A 31 8.089 12.479 -3.638 1.00 0.44 N ATOM 489 CA SER A 31 8.043 11.076 -4.040 1.00 0.51 C ATOM 490 C SER A 31 8.736 10.203 -2.989 1.00 0.51 C ATOM 491 O SER A 31 9.382 9.205 -3.315 1.00 0.86 O ATOM 492 CB SER A 31 8.710 10.902 -5.410 1.00 0.65 C ATOM 493 OG SER A 31 8.190 11.830 -6.354 1.00 0.74 O ATOM 0 H SER A 31 7.184 12.949 -3.648 1.00 0.44 H new ATOM 0 HA SER A 31 7.002 10.762 -4.117 1.00 0.51 H new ATOM 0 HB2 SER A 31 9.787 11.041 -5.314 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.551 9.885 -5.769 1.00 0.65 H new ATOM 0 HG SER A 31 8.633 11.700 -7.219 1.00 0.74 H new ATOM 499 N ASP A 32 8.582 10.584 -1.723 1.00 0.47 N ATOM 500 CA ASP A 32 9.206 9.863 -0.625 1.00 0.47 C ATOM 501 C ASP A 32 8.166 9.387 0.381 1.00 0.49 C ATOM 502 O ASP A 32 6.973 9.651 0.231 1.00 1.05 O ATOM 503 CB ASP A 32 10.232 10.760 0.076 1.00 0.57 C ATOM 504 CG ASP A 32 11.602 10.122 0.162 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.698 8.957 0.599 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.597 10.792 -0.204 1.00 0.83 O ATOM 0 H ASP A 32 8.028 11.391 -1.435 1.00 0.47 H new ATOM 0 HA ASP A 32 9.709 8.989 -1.038 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.309 11.706 -0.461 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.880 10.992 1.081 1.00 0.57 H new ATOM 511 N GLN A 33 8.632 8.690 1.407 1.00 0.35 N ATOM 512 CA GLN A 33 7.760 8.168 2.454 1.00 0.34 C ATOM 513 C GLN A 33 8.251 8.661 3.819 1.00 0.35 C ATOM 514 O GLN A 33 8.916 9.701 3.902 1.00 0.54 O ATOM 515 CB GLN A 33 7.762 6.632 2.395 1.00 0.45 C ATOM 516 CG GLN A 33 6.476 5.982 2.891 1.00 0.53 C ATOM 517 CD GLN A 33 6.725 4.649 3.575 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.761 4.449 4.212 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.774 3.734 3.462 1.00 0.82 N ATOM 0 H GLN A 33 9.619 8.470 1.539 1.00 0.35 H new ATOM 0 HA GLN A 33 6.740 8.523 2.304 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.939 6.320 1.366 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.596 6.259 2.989 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.977 6.656 3.587 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.799 5.834 2.049 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.931 3.938 2.926 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.885 2.825 3.911 1.00 0.82 H new ATOM 528 N HIS A 34 7.915 7.937 4.893 1.00 0.34 N ATOM 529 CA HIS A 34 8.377 8.303 6.233 1.00 0.39 C ATOM 530 C HIS A 34 9.876 8.587 6.169 1.00 0.37 C ATOM 531 O HIS A 34 10.376 9.520 6.791 1.00 0.50 O ATOM 532 CB HIS A 34 8.082 7.168 7.227 1.00 0.48 C ATOM 533 CG HIS A 34 8.395 7.489 8.664 1.00 0.63 C ATOM 534 ND1 HIS A 34 7.957 6.710 9.718 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.116 8.493 9.225 1.00 0.83 C ATOM 536 CE1 HIS A 34 8.394 7.218 10.853 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.099 8.297 10.581 1.00 0.95 N ATOM 0 H HIS A 34 7.330 7.102 4.860 1.00 0.34 H new ATOM 0 HA HIS A 34 7.851 9.193 6.578 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.028 6.902 7.150 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.655 6.289 6.933 1.00 0.48 H new ATOM 0 HD1 HIS A 34 7.384 5.871 9.631 1.00 0.86 H new ATOM 0 HD2 HIS A 34 9.611 9.297 8.700 1.00 0.83 H new ATOM 0 HE1 HIS A 34 8.206 6.818 11.838 1.00 0.99 H new ATOM 546 N ILE A 35 10.572 7.766 5.395 1.00 0.31 N ATOM 547 CA ILE A 35 12.004 7.912 5.185 1.00 0.34 C ATOM 548 C ILE A 35 12.362 7.541 3.744 1.00 0.33 C ATOM 549 O ILE A 35 13.160 8.221 3.108 1.00 0.40 O ATOM 550 CB ILE A 35 12.820 7.052 6.177 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.774 7.674 7.580 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.260 6.896 5.696 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.647 6.966 8.593 1.00 0.51 C ATOM 0 H ILE A 35 10.158 6.979 4.895 1.00 0.31 H new ATOM 0 HA ILE A 35 12.262 8.955 5.365 1.00 0.34 H new ATOM 0 HB ILE A 35 12.374 6.059 6.227 1.00 0.39 H new ATOM 0 HG12 ILE A 35 13.083 8.717 7.515 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.744 7.668 7.936 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.818 6.288 6.408 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.267 6.411 4.720 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.725 7.878 5.616 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.561 7.464 9.559 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.325 5.929 8.689 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.685 6.994 8.262 1.00 0.51 H new ATOM 565 N GLN A 36 11.771 6.448 3.248 1.00 0.29 N ATOM 566 CA GLN A 36 11.997 5.979 1.878 1.00 0.30 C ATOM 567 C GLN A 36 11.367 4.599 1.692 1.00 0.30 C ATOM 568 O GLN A 36 11.828 3.622 2.277 1.00 0.64 O ATOM 569 CB GLN A 36 13.497 5.924 1.563 1.00 0.37 C ATOM 570 CG GLN A 36 13.840 5.124 0.314 1.00 0.40 C ATOM 571 CD GLN A 36 15.333 5.035 0.081 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.901 5.814 -0.678 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.980 4.091 0.748 1.00 0.61 N ATOM 0 H GLN A 36 11.126 5.867 3.783 1.00 0.29 H new ATOM 0 HA GLN A 36 11.530 6.682 1.188 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.870 6.941 1.444 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.021 5.490 2.415 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.428 4.119 0.404 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.366 5.586 -0.552 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.469 3.464 1.369 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.989 3.991 0.640 1.00 0.61 H new ATOM 582 N LEU A 37 10.310 4.520 0.895 1.00 0.27 N ATOM 583 CA LEU A 37 9.637 3.248 0.661 1.00 0.25 C ATOM 584 C LEU A 37 10.316 2.487 -0.473 1.00 0.22 C ATOM 585 O LEU A 37 10.494 3.019 -1.570 1.00 0.26 O ATOM 586 CB LEU A 37 8.156 3.466 0.335 1.00 0.33 C ATOM 587 CG LEU A 37 7.200 2.390 0.859 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.761 2.745 0.515 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.558 1.021 0.290 1.00 0.53 C ATOM 0 H LEU A 37 9.902 5.315 0.403 1.00 0.27 H new ATOM 0 HA LEU A 37 9.706 2.656 1.574 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.850 4.429 0.743 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.046 3.529 -0.748 1.00 0.33 H new ATOM 0 HG LEU A 37 7.300 2.346 1.944 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.095 1.970 0.894 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.503 3.701 0.971 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.653 2.818 -0.567 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.865 0.274 0.677 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.491 1.050 -0.798 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.575 0.759 0.584 1.00 0.53 H new ATOM 601 N GLN A 38 10.696 1.250 -0.190 1.00 0.23 N ATOM 602 CA GLN A 38 11.356 0.391 -1.162 1.00 0.27 C ATOM 603 C GLN A 38 10.445 -0.777 -1.534 1.00 0.24 C ATOM 604 O GLN A 38 9.880 -1.436 -0.659 1.00 0.32 O ATOM 605 CB GLN A 38 12.682 -0.123 -0.586 1.00 0.38 C ATOM 606 CG GLN A 38 13.686 0.985 -0.300 1.00 0.51 C ATOM 607 CD GLN A 38 14.675 0.638 0.805 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.356 -0.086 1.753 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.889 1.151 0.689 1.00 0.75 N ATOM 0 H GLN A 38 10.555 0.813 0.721 1.00 0.23 H new ATOM 0 HA GLN A 38 11.566 0.966 -2.064 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.482 -0.669 0.336 1.00 0.38 H new ATOM 0 HB3 GLN A 38 13.124 -0.832 -1.287 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.237 1.209 -1.213 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.147 1.891 -0.023 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.118 1.745 -0.108 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.596 0.952 1.396 1.00 0.75 H new ATOM 618 N LEU A 39 10.279 -1.015 -2.828 1.00 0.24 N ATOM 619 CA LEU A 39 9.435 -2.105 -3.305 1.00 0.24 C ATOM 620 C LEU A 39 10.011 -2.680 -4.592 1.00 0.26 C ATOM 621 O LEU A 39 9.982 -2.025 -5.636 1.00 0.34 O ATOM 622 CB LEU A 39 7.999 -1.609 -3.530 1.00 0.26 C ATOM 623 CG LEU A 39 6.996 -2.676 -3.990 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.584 -2.285 -3.585 1.00 0.38 C ATOM 625 CD2 LEU A 39 7.075 -2.883 -5.500 1.00 0.41 C ATOM 0 H LEU A 39 10.718 -0.468 -3.568 1.00 0.24 H new ATOM 0 HA LEU A 39 9.410 -2.891 -2.550 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.635 -1.170 -2.601 1.00 0.26 H new ATOM 0 HB3 LEU A 39 8.021 -0.812 -4.273 1.00 0.26 H new ATOM 0 HG LEU A 39 7.254 -3.616 -3.503 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.884 -3.052 -3.918 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.529 -2.191 -2.500 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.324 -1.332 -4.045 1.00 0.38 H new ATOM 0 HD21 LEU A 39 6.355 -3.644 -5.801 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.847 -1.946 -6.008 1.00 0.41 H new ATOM 0 HD23 LEU A 39 8.080 -3.207 -5.771 1.00 0.41 H new ATOM 637 N SER A 40 10.556 -3.892 -4.506 1.00 0.25 N ATOM 638 CA SER A 40 11.153 -4.563 -5.660 1.00 0.28 C ATOM 639 C SER A 40 11.874 -5.846 -5.234 1.00 0.29 C ATOM 640 O SER A 40 11.842 -6.219 -4.062 1.00 0.38 O ATOM 641 CB SER A 40 12.139 -3.628 -6.373 1.00 0.36 C ATOM 642 OG SER A 40 11.491 -2.891 -7.397 1.00 0.55 O ATOM 0 H SER A 40 10.597 -4.433 -3.642 1.00 0.25 H new ATOM 0 HA SER A 40 10.349 -4.826 -6.347 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.582 -2.942 -5.651 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.955 -4.211 -6.800 1.00 0.36 H new ATOM 0 HG SER A 40 10.898 -2.223 -6.994 1.00 0.55 H new ATOM 648 N ALA A 41 12.503 -6.519 -6.200 1.00 0.33 N ATOM 649 CA ALA A 41 13.251 -7.754 -5.948 1.00 0.37 C ATOM 650 C ALA A 41 12.328 -8.963 -5.768 1.00 0.36 C ATOM 651 O ALA A 41 12.748 -9.998 -5.239 1.00 0.76 O ATOM 652 CB ALA A 41 14.166 -7.596 -4.738 1.00 0.46 C ATOM 0 H ALA A 41 12.509 -6.225 -7.177 1.00 0.33 H new ATOM 0 HA ALA A 41 13.863 -7.941 -6.830 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.711 -8.525 -4.570 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.874 -6.788 -4.920 1.00 0.46 H new ATOM 0 HB3 ALA A 41 13.568 -7.362 -3.857 1.00 0.46 H new ATOM 658 N GLU A 42 11.085 -8.846 -6.226 1.00 0.35 N ATOM 659 CA GLU A 42 10.123 -9.935 -6.112 1.00 0.30 C ATOM 660 C GLU A 42 9.764 -10.486 -7.491 1.00 0.33 C ATOM 661 O GLU A 42 10.065 -9.866 -8.517 1.00 0.51 O ATOM 662 CB GLU A 42 8.859 -9.467 -5.386 1.00 0.32 C ATOM 663 CG GLU A 42 9.072 -9.167 -3.909 1.00 0.54 C ATOM 664 CD GLU A 42 9.904 -10.225 -3.209 1.00 0.76 C ATOM 665 OE1 GLU A 42 9.555 -11.425 -3.289 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.923 -9.860 -2.586 1.00 1.05 O ATOM 0 H GLU A 42 10.721 -8.008 -6.679 1.00 0.35 H new ATOM 0 HA GLU A 42 10.584 -10.732 -5.529 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.480 -8.571 -5.878 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.091 -10.234 -5.484 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.562 -8.199 -3.806 1.00 0.54 H new ATOM 0 HG3 GLU A 42 8.103 -9.088 -3.416 1.00 0.54 H new ATOM 673 N SER A 43 9.129 -11.649 -7.505 1.00 0.31 N ATOM 674 CA SER A 43 8.727 -12.297 -8.745 1.00 0.38 C ATOM 675 C SER A 43 7.606 -11.518 -9.430 1.00 0.34 C ATOM 676 O SER A 43 6.723 -10.977 -8.763 1.00 0.61 O ATOM 677 CB SER A 43 8.286 -13.737 -8.459 1.00 0.52 C ATOM 678 OG SER A 43 8.229 -13.992 -7.059 1.00 1.04 O ATOM 0 H SER A 43 8.879 -12.167 -6.663 1.00 0.31 H new ATOM 0 HA SER A 43 9.582 -12.315 -9.421 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.307 -13.915 -8.903 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.981 -14.433 -8.930 1.00 0.52 H new ATOM 0 HG SER A 43 7.351 -14.363 -6.830 1.00 1.04 H new ATOM 684 N VAL A 44 7.660 -11.461 -10.761 1.00 0.39 N ATOM 685 CA VAL A 44 6.663 -10.748 -11.564 1.00 0.39 C ATOM 686 C VAL A 44 5.275 -10.771 -10.916 1.00 0.36 C ATOM 687 O VAL A 44 4.716 -11.839 -10.641 1.00 0.59 O ATOM 688 CB VAL A 44 6.573 -11.323 -13.000 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.185 -12.795 -12.982 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.598 -10.514 -13.843 1.00 0.58 C ATOM 0 H VAL A 44 8.393 -11.906 -11.313 1.00 0.39 H new ATOM 0 HA VAL A 44 7.000 -9.713 -11.616 1.00 0.39 H new ATOM 0 HB VAL A 44 7.561 -11.247 -13.454 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.130 -13.169 -14.004 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.933 -13.362 -12.428 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.214 -12.909 -12.501 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.550 -10.934 -14.847 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.608 -10.548 -13.388 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.937 -9.479 -13.899 1.00 0.58 H new ATOM 700 N GLY A 45 4.738 -9.584 -10.663 1.00 0.32 N ATOM 701 CA GLY A 45 3.427 -9.464 -10.053 1.00 0.33 C ATOM 702 C GLY A 45 3.505 -9.325 -8.545 1.00 0.28 C ATOM 703 O GLY A 45 2.857 -8.453 -7.961 1.00 0.33 O ATOM 0 H GLY A 45 5.192 -8.695 -10.872 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.913 -8.598 -10.469 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.830 -10.341 -10.305 1.00 0.33 H new ATOM 707 N GLU A 46 4.311 -10.170 -7.917 1.00 0.27 N ATOM 708 CA GLU A 46 4.469 -10.151 -6.468 1.00 0.28 C ATOM 709 C GLU A 46 5.424 -9.033 -6.063 1.00 0.24 C ATOM 710 O GLU A 46 6.431 -8.797 -6.731 1.00 0.31 O ATOM 711 CB GLU A 46 4.992 -11.504 -5.977 1.00 0.39 C ATOM 712 CG GLU A 46 4.230 -12.691 -6.552 1.00 0.51 C ATOM 713 CD GLU A 46 4.713 -14.018 -6.007 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.861 -14.406 -6.300 1.00 0.86 O ATOM 715 OE2 GLU A 46 3.941 -14.686 -5.295 1.00 0.82 O ATOM 0 H GLU A 46 4.868 -10.881 -8.391 1.00 0.27 H new ATOM 0 HA GLU A 46 3.499 -9.966 -6.007 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.046 -11.596 -6.241 1.00 0.39 H new ATOM 0 HB3 GLU A 46 4.932 -11.535 -4.889 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.169 -12.577 -6.331 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.331 -12.691 -7.637 1.00 0.51 H new ATOM 722 N VAL A 47 5.105 -8.343 -4.977 1.00 0.22 N ATOM 723 CA VAL A 47 5.939 -7.246 -4.512 1.00 0.25 C ATOM 724 C VAL A 47 6.034 -7.204 -2.989 1.00 0.23 C ATOM 725 O VAL A 47 5.081 -7.537 -2.277 1.00 0.29 O ATOM 726 CB VAL A 47 5.416 -5.888 -5.026 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.497 -5.829 -6.546 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.989 -5.636 -4.547 1.00 0.35 C ATOM 0 H VAL A 47 4.280 -8.522 -4.405 1.00 0.22 H new ATOM 0 HA VAL A 47 6.935 -7.425 -4.916 1.00 0.25 H new ATOM 0 HB VAL A 47 6.049 -5.100 -4.617 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.125 -4.865 -6.893 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.533 -5.952 -6.860 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.891 -6.628 -6.974 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.644 -4.673 -4.923 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.336 -6.426 -4.918 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.967 -5.629 -3.457 1.00 0.35 H new ATOM 738 N TYR A 48 7.203 -6.796 -2.507 1.00 0.22 N ATOM 739 CA TYR A 48 7.471 -6.677 -1.081 1.00 0.22 C ATOM 740 C TYR A 48 7.454 -5.198 -0.702 1.00 0.22 C ATOM 741 O TYR A 48 8.086 -4.378 -1.374 1.00 0.29 O ATOM 742 CB TYR A 48 8.833 -7.305 -0.753 1.00 0.25 C ATOM 743 CG TYR A 48 9.208 -7.272 0.712 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.785 -6.140 1.275 1.00 0.58 C ATOM 745 CD2 TYR A 48 9.003 -8.378 1.527 1.00 0.49 C ATOM 746 CE1 TYR A 48 10.145 -6.109 2.609 1.00 0.74 C ATOM 747 CE2 TYR A 48 9.362 -8.359 2.862 1.00 0.66 C ATOM 748 CZ TYR A 48 9.933 -7.223 3.400 1.00 0.72 C ATOM 749 OH TYR A 48 10.298 -7.198 4.732 1.00 0.92 O ATOM 0 H TYR A 48 7.993 -6.538 -3.098 1.00 0.22 H new ATOM 0 HA TYR A 48 6.707 -7.204 -0.510 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.830 -8.342 -1.090 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.604 -6.786 -1.323 1.00 0.25 H new ATOM 0 HD1 TYR A 48 9.955 -5.269 0.659 1.00 0.58 H new ATOM 0 HD2 TYR A 48 8.555 -9.268 1.111 1.00 0.49 H new ATOM 0 HE1 TYR A 48 10.589 -5.220 3.031 1.00 0.74 H new ATOM 0 HE2 TYR A 48 9.197 -9.228 3.481 1.00 0.66 H new ATOM 0 HH TYR A 48 9.494 -7.163 5.291 1.00 0.92 H new ATOM 759 N ILE A 49 6.729 -4.853 0.358 1.00 0.21 N ATOM 760 CA ILE A 49 6.628 -3.460 0.782 1.00 0.22 C ATOM 761 C ILE A 49 7.657 -3.126 1.861 1.00 0.23 C ATOM 762 O ILE A 49 7.397 -3.264 3.059 1.00 0.37 O ATOM 763 CB ILE A 49 5.210 -3.117 1.289 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.163 -3.507 0.236 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.110 -1.635 1.624 1.00 0.30 C ATOM 766 CD1 ILE A 49 2.737 -3.194 0.642 1.00 0.38 C ATOM 0 H ILE A 49 6.207 -5.512 0.935 1.00 0.21 H new ATOM 0 HA ILE A 49 6.836 -2.852 -0.099 1.00 0.22 H new ATOM 0 HB ILE A 49 5.015 -3.686 2.198 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.388 -2.987 -0.695 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.246 -4.575 0.033 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.105 -1.409 1.980 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.834 -1.388 2.401 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.320 -1.045 0.732 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.057 -3.499 -0.154 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.492 -3.735 1.556 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.635 -2.123 0.816 1.00 0.38 H new ATOM 778 N LYS A 50 8.824 -2.675 1.421 1.00 0.21 N ATOM 779 CA LYS A 50 9.908 -2.310 2.321 1.00 0.25 C ATOM 780 C LYS A 50 9.862 -0.810 2.620 1.00 0.21 C ATOM 781 O LYS A 50 10.526 -0.007 1.963 1.00 0.26 O ATOM 782 CB LYS A 50 11.257 -2.708 1.699 1.00 0.34 C ATOM 783 CG LYS A 50 12.478 -2.235 2.471 1.00 0.49 C ATOM 784 CD LYS A 50 12.485 -2.753 3.899 1.00 0.73 C ATOM 785 CE LYS A 50 13.851 -2.570 4.548 1.00 1.35 C ATOM 786 NZ LYS A 50 14.398 -1.206 4.318 1.00 1.74 N ATOM 0 H LYS A 50 9.045 -2.552 0.433 1.00 0.21 H new ATOM 0 HA LYS A 50 9.792 -2.846 3.263 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.296 -3.794 1.614 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.307 -2.307 0.687 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.381 -2.568 1.960 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.501 -1.145 2.481 1.00 0.49 H new ATOM 0 HD2 LYS A 50 11.729 -2.227 4.483 1.00 0.73 H new ATOM 0 HD3 LYS A 50 12.215 -3.809 3.906 1.00 0.73 H new ATOM 0 HE2 LYS A 50 13.771 -2.753 5.620 1.00 1.35 H new ATOM 0 HE3 LYS A 50 14.544 -3.311 4.149 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.304 -1.107 4.818 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.547 -1.059 3.299 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 13.726 -0.498 4.676 1.00 1.74 H new ATOM 800 N SER A 51 9.052 -0.434 3.600 1.00 0.24 N ATOM 801 CA SER A 51 8.912 0.965 3.981 1.00 0.25 C ATOM 802 C SER A 51 10.090 1.430 4.836 1.00 0.25 C ATOM 803 O SER A 51 10.335 0.890 5.913 1.00 0.33 O ATOM 804 CB SER A 51 7.596 1.184 4.738 1.00 0.32 C ATOM 805 OG SER A 51 6.477 1.079 3.868 1.00 0.53 O ATOM 0 H SER A 51 8.481 -1.079 4.146 1.00 0.24 H new ATOM 0 HA SER A 51 8.902 1.558 3.067 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.508 0.449 5.538 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.603 2.168 5.208 1.00 0.32 H new ATOM 0 HG SER A 51 6.686 0.457 3.140 1.00 0.53 H new ATOM 811 N THR A 52 10.821 2.424 4.331 1.00 0.24 N ATOM 812 CA THR A 52 11.961 3.001 5.036 1.00 0.28 C ATOM 813 C THR A 52 13.197 2.105 4.958 1.00 0.28 C ATOM 814 O THR A 52 13.096 0.875 4.933 1.00 0.34 O ATOM 815 CB THR A 52 11.613 3.297 6.508 1.00 0.32 C ATOM 816 OG1 THR A 52 10.473 4.165 6.568 1.00 0.35 O ATOM 817 CG2 THR A 52 12.783 3.945 7.231 1.00 0.38 C ATOM 0 H THR A 52 10.638 2.850 3.422 1.00 0.24 H new ATOM 0 HA THR A 52 12.197 3.940 4.535 1.00 0.28 H new ATOM 0 HB THR A 52 11.387 2.351 7.001 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.654 3.628 6.596 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.507 4.142 8.267 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.643 3.275 7.205 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.040 4.883 6.740 1.00 0.38 H new ATOM 825 N GLU A 53 14.367 2.741 4.907 1.00 0.31 N ATOM 826 CA GLU A 53 15.635 2.026 4.826 1.00 0.35 C ATOM 827 C GLU A 53 15.775 1.030 5.977 1.00 0.31 C ATOM 828 O GLU A 53 16.154 -0.121 5.758 1.00 0.37 O ATOM 829 CB GLU A 53 16.807 3.013 4.844 1.00 0.43 C ATOM 830 CG GLU A 53 18.137 2.394 4.442 1.00 0.47 C ATOM 831 CD GLU A 53 18.218 2.093 2.958 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.775 1.004 2.536 1.00 0.74 O ATOM 833 OE2 GLU A 53 18.725 2.947 2.204 1.00 0.73 O ATOM 0 H GLU A 53 14.460 3.757 4.921 1.00 0.31 H new ATOM 0 HA GLU A 53 15.650 1.473 3.887 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.584 3.840 4.170 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.900 3.434 5.845 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.946 3.071 4.716 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.289 1.473 5.004 1.00 0.47 H new ATOM 840 N THR A 54 15.452 1.465 7.190 1.00 0.28 N ATOM 841 CA THR A 54 15.553 0.602 8.363 1.00 0.31 C ATOM 842 C THR A 54 14.509 0.964 9.420 1.00 0.33 C ATOM 843 O THR A 54 13.879 2.024 9.345 1.00 0.52 O ATOM 844 CB THR A 54 16.962 0.694 8.991 1.00 0.40 C ATOM 845 OG1 THR A 54 17.442 2.051 8.943 1.00 0.63 O ATOM 846 CG2 THR A 54 17.939 -0.219 8.265 1.00 0.68 C ATOM 0 H THR A 54 15.118 2.408 7.387 1.00 0.28 H new ATOM 0 HA THR A 54 15.369 -0.418 8.025 1.00 0.31 H new ATOM 0 HB THR A 54 16.890 0.374 10.030 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.334 2.097 9.345 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.924 -0.137 8.725 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.592 -1.250 8.332 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.002 0.075 7.217 1.00 0.68 H new ATOM 854 N GLY A 55 14.317 0.072 10.387 1.00 0.39 N ATOM 855 CA GLY A 55 13.371 0.317 11.461 1.00 0.44 C ATOM 856 C GLY A 55 11.932 0.024 11.074 1.00 0.42 C ATOM 857 O GLY A 55 11.309 -0.889 11.622 1.00 0.76 O ATOM 0 H GLY A 55 14.804 -0.823 10.446 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.641 -0.297 12.320 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.451 1.358 11.775 1.00 0.44 H new ATOM 861 N GLN A 56 11.404 0.799 10.135 1.00 0.34 N ATOM 862 CA GLN A 56 10.022 0.632 9.690 1.00 0.30 C ATOM 863 C GLN A 56 9.857 -0.672 8.909 1.00 0.27 C ATOM 864 O GLN A 56 10.790 -1.140 8.255 1.00 0.38 O ATOM 865 CB GLN A 56 9.579 1.824 8.831 1.00 0.37 C ATOM 866 CG GLN A 56 9.917 3.182 9.431 1.00 0.49 C ATOM 867 CD GLN A 56 9.130 3.489 10.692 1.00 0.76 C ATOM 868 OE1 GLN A 56 8.056 4.090 10.634 1.00 1.02 O ATOM 869 NE2 GLN A 56 9.662 3.091 11.840 1.00 0.89 N ATOM 0 H GLN A 56 11.910 1.550 9.666 1.00 0.34 H new ATOM 0 HA GLN A 56 9.388 0.588 10.575 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.048 1.745 7.850 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.502 1.765 8.675 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.983 3.217 9.657 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.723 3.958 8.691 1.00 0.49 H new ATOM 0 HE21 GLN A 56 10.554 2.596 11.844 1.00 0.89 H new ATOM 0 HE22 GLN A 56 9.179 3.280 12.718 1.00 0.89 H new ATOM 878 N TYR A 57 8.669 -1.255 8.998 1.00 0.24 N ATOM 879 CA TYR A 57 8.358 -2.504 8.310 1.00 0.23 C ATOM 880 C TYR A 57 6.870 -2.541 7.986 1.00 0.25 C ATOM 881 O TYR A 57 6.042 -2.473 8.886 1.00 0.42 O ATOM 882 CB TYR A 57 8.738 -3.696 9.194 1.00 0.26 C ATOM 883 CG TYR A 57 8.571 -5.055 8.547 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.310 -5.576 8.278 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.680 -5.829 8.220 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.159 -6.822 7.701 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.537 -7.078 7.647 1.00 0.73 C ATOM 888 CZ TYR A 57 8.274 -7.571 7.390 1.00 0.79 C ATOM 889 OH TYR A 57 8.128 -8.820 6.822 1.00 1.03 O ATOM 0 H TYR A 57 7.896 -0.879 9.546 1.00 0.24 H new ATOM 0 HA TYR A 57 8.930 -2.563 7.384 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.777 -3.583 9.502 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.132 -3.665 10.099 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.433 -4.996 8.525 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.670 -5.447 8.418 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.172 -7.208 7.494 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.409 -7.666 7.401 1.00 0.73 H new ATOM 0 HH TYR A 57 8.986 -9.112 6.450 1.00 1.03 H new ATOM 899 N LEU A 58 6.535 -2.651 6.708 1.00 0.20 N ATOM 900 CA LEU A 58 5.136 -2.666 6.287 1.00 0.22 C ATOM 901 C LEU A 58 4.591 -4.090 6.229 1.00 0.23 C ATOM 902 O LEU A 58 5.151 -4.950 5.546 1.00 0.30 O ATOM 903 CB LEU A 58 4.991 -1.983 4.921 1.00 0.27 C ATOM 904 CG LEU A 58 3.582 -1.490 4.569 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.634 -2.661 4.342 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.047 -0.568 5.661 1.00 0.38 C ATOM 0 H LEU A 58 7.208 -2.731 5.945 1.00 0.20 H new ATOM 0 HA LEU A 58 4.553 -2.115 7.025 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.672 -1.133 4.887 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.314 -2.682 4.150 1.00 0.27 H new ATOM 0 HG LEU A 58 3.645 -0.923 3.640 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.642 -2.283 4.094 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.004 -3.275 3.521 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.577 -3.264 5.248 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.046 -0.229 5.393 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.005 -1.109 6.606 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.706 0.294 5.765 1.00 0.38 H new ATOM 918 N ALA A 59 3.501 -4.329 6.949 1.00 0.23 N ATOM 919 CA ALA A 59 2.867 -5.641 6.973 1.00 0.27 C ATOM 920 C ALA A 59 1.346 -5.505 7.020 1.00 0.24 C ATOM 921 O ALA A 59 0.816 -4.576 7.644 1.00 0.26 O ATOM 922 CB ALA A 59 3.366 -6.446 8.164 1.00 0.35 C ATOM 0 H ALA A 59 3.037 -3.628 7.526 1.00 0.23 H new ATOM 0 HA ALA A 59 3.134 -6.169 6.058 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.884 -7.424 8.170 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.446 -6.574 8.090 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.126 -5.918 9.087 1.00 0.35 H new ATOM 928 N MET A 60 0.651 -6.418 6.347 1.00 0.28 N ATOM 929 CA MET A 60 -0.810 -6.401 6.319 1.00 0.30 C ATOM 930 C MET A 60 -1.383 -7.036 7.581 1.00 0.26 C ATOM 931 O MET A 60 -0.826 -7.999 8.107 1.00 0.44 O ATOM 932 CB MET A 60 -1.350 -7.142 5.087 1.00 0.40 C ATOM 933 CG MET A 60 -1.187 -8.658 5.152 1.00 0.73 C ATOM 934 SD MET A 60 -2.053 -9.518 3.821 1.00 0.93 S ATOM 935 CE MET A 60 -3.758 -9.194 4.269 1.00 1.97 C ATOM 0 H MET A 60 1.074 -7.178 5.814 1.00 0.28 H new ATOM 0 HA MET A 60 -1.122 -5.358 6.268 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.407 -6.906 4.968 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.839 -6.770 4.199 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.127 -8.906 5.108 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.559 -9.017 6.112 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.403 -9.944 3.812 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.864 -9.236 5.353 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.045 -8.204 3.915 1.00 1.97 H new ATOM 945 N ASP A 61 -2.494 -6.495 8.060 1.00 0.30 N ATOM 946 CA ASP A 61 -3.151 -7.025 9.246 1.00 0.31 C ATOM 947 C ASP A 61 -4.068 -8.185 8.862 1.00 0.29 C ATOM 948 O ASP A 61 -4.653 -8.189 7.775 1.00 0.34 O ATOM 949 CB ASP A 61 -3.937 -5.925 9.966 1.00 0.42 C ATOM 950 CG ASP A 61 -5.148 -6.458 10.702 1.00 0.68 C ATOM 951 OD1 ASP A 61 -4.972 -7.142 11.732 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.279 -6.208 10.241 1.00 0.96 O ATOM 0 H ASP A 61 -2.960 -5.688 7.645 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.389 -7.396 9.932 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.280 -5.419 10.674 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.258 -5.179 9.239 1.00 0.42 H new ATOM 957 N THR A 62 -4.186 -9.157 9.759 1.00 0.37 N ATOM 958 CA THR A 62 -5.005 -10.341 9.526 1.00 0.44 C ATOM 959 C THR A 62 -6.461 -9.994 9.194 1.00 0.41 C ATOM 960 O THR A 62 -7.040 -10.559 8.262 1.00 0.50 O ATOM 961 CB THR A 62 -4.965 -11.294 10.746 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.525 -12.570 10.400 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.721 -10.707 11.936 1.00 0.74 C ATOM 0 H THR A 62 -3.718 -9.147 10.665 1.00 0.37 H new ATOM 0 HA THR A 62 -4.575 -10.843 8.659 1.00 0.44 H new ATOM 0 HB THR A 62 -3.921 -11.421 11.032 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.492 -13.164 11.179 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.674 -11.401 12.775 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.267 -9.758 12.223 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.763 -10.542 11.660 1.00 0.74 H new ATOM 971 N ASP A 63 -7.047 -9.058 9.938 1.00 0.36 N ATOM 972 CA ASP A 63 -8.442 -8.677 9.720 1.00 0.41 C ATOM 973 C ASP A 63 -8.610 -7.926 8.403 1.00 0.40 C ATOM 974 O ASP A 63 -9.368 -8.350 7.529 1.00 0.65 O ATOM 975 CB ASP A 63 -8.968 -7.825 10.881 1.00 0.47 C ATOM 976 CG ASP A 63 -10.417 -7.424 10.686 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.286 -8.319 10.672 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.695 -6.218 10.542 1.00 0.75 O ATOM 0 H ASP A 63 -6.582 -8.552 10.692 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.026 -9.596 9.670 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.869 -8.382 11.812 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.355 -6.929 10.979 1.00 0.47 H new ATOM 983 N GLY A 64 -7.903 -6.813 8.268 1.00 0.45 N ATOM 984 CA GLY A 64 -7.982 -6.027 7.053 1.00 0.50 C ATOM 985 C GLY A 64 -7.419 -4.632 7.217 1.00 0.43 C ATOM 986 O GLY A 64 -8.029 -3.656 6.769 1.00 0.64 O ATOM 0 H GLY A 64 -7.275 -6.440 8.980 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.441 -6.541 6.258 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.023 -5.959 6.737 1.00 0.50 H new ATOM 990 N LEU A 65 -6.259 -4.544 7.855 1.00 0.40 N ATOM 991 CA LEU A 65 -5.585 -3.273 8.085 1.00 0.34 C ATOM 992 C LEU A 65 -4.138 -3.352 7.603 1.00 0.33 C ATOM 993 O LEU A 65 -3.676 -4.415 7.174 1.00 0.60 O ATOM 994 CB LEU A 65 -5.624 -2.909 9.578 1.00 0.37 C ATOM 995 CG LEU A 65 -6.719 -1.920 9.990 1.00 0.71 C ATOM 996 CD1 LEU A 65 -6.526 -0.582 9.292 1.00 1.23 C ATOM 997 CD2 LEU A 65 -8.101 -2.484 9.688 1.00 1.16 C ATOM 0 H LEU A 65 -5.759 -5.351 8.227 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.104 -2.497 7.523 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -5.752 -3.826 10.154 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.657 -2.490 9.857 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.643 -1.761 11.066 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -7.314 0.105 9.599 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -5.556 -0.166 9.564 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -6.569 -0.725 8.212 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -8.862 -1.764 9.989 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -8.189 -2.679 8.619 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.243 -3.414 10.239 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.435 -2.231 7.657 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.041 -2.176 7.240 1.00 0.36 C ATOM 1011 C LEU A 66 -1.232 -1.401 8.272 1.00 0.34 C ATOM 1012 O LEU A 66 -1.613 -0.294 8.649 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.910 -1.513 5.865 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.552 -2.277 4.701 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.042 -1.981 4.613 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.866 -1.927 3.389 1.00 0.61 C ATOM 0 H LEU A 66 -3.809 -1.342 7.988 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.657 -3.194 7.165 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.357 -0.520 5.916 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.851 -1.375 5.647 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.425 -3.344 4.887 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.474 -2.535 3.780 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.528 -2.283 5.541 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.192 -0.913 4.456 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.335 -2.479 2.575 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -1.960 -0.857 3.204 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.811 -2.194 3.448 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.124 -1.978 8.726 1.00 0.28 N ATOM 1029 CA TYR A 67 0.716 -1.325 9.728 1.00 0.33 C ATOM 1030 C TYR A 67 2.192 -1.368 9.335 1.00 0.30 C ATOM 1031 O TYR A 67 2.647 -2.301 8.668 1.00 0.32 O ATOM 1032 CB TYR A 67 0.519 -1.967 11.109 1.00 0.43 C ATOM 1033 CG TYR A 67 0.636 -3.476 11.125 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.877 -4.099 11.169 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.499 -4.277 11.105 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.982 -5.476 11.192 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.402 -5.654 11.131 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.840 -6.250 11.173 1.00 0.63 C ATOM 1039 OH TYR A 67 0.943 -7.625 11.204 1.00 0.80 O ATOM 0 H TYR A 67 0.213 -2.891 8.419 1.00 0.28 H new ATOM 0 HA TYR A 67 0.408 -0.281 9.779 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.255 -1.551 11.797 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.464 -1.688 11.488 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.774 -3.497 11.185 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.474 -3.814 11.068 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.954 -5.945 11.225 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.295 -6.261 11.118 1.00 0.55 H new ATOM 0 HH TYR A 67 0.047 -8.021 11.186 1.00 0.80 H new ATOM 1049 N GLY A 68 2.932 -0.343 9.758 1.00 0.34 N ATOM 1050 CA GLY A 68 4.349 -0.262 9.460 1.00 0.38 C ATOM 1051 C GLY A 68 5.211 -0.497 10.687 1.00 0.52 C ATOM 1052 O GLY A 68 6.021 0.353 11.054 1.00 1.27 O ATOM 0 H GLY A 68 2.569 0.437 10.306 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.600 -0.998 8.696 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.575 0.719 9.043 1.00 0.38 H new ATOM 1056 N SER A 69 5.041 -1.654 11.315 1.00 0.36 N ATOM 1057 CA SER A 69 5.802 -2.003 12.507 1.00 0.39 C ATOM 1058 C SER A 69 6.789 -3.127 12.188 1.00 0.32 C ATOM 1059 O SER A 69 6.453 -4.063 11.461 1.00 0.37 O ATOM 1060 CB SER A 69 4.852 -2.418 13.632 1.00 0.51 C ATOM 1061 OG SER A 69 3.859 -1.423 13.857 1.00 1.23 O ATOM 0 H SER A 69 4.379 -2.370 11.016 1.00 0.36 H new ATOM 0 HA SER A 69 6.368 -1.132 12.838 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.373 -3.363 13.377 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.419 -2.584 14.548 1.00 0.51 H new ATOM 0 HG SER A 69 4.286 -0.600 14.175 1.00 1.23 H new ATOM 1067 N GLN A 70 8.002 -3.028 12.727 1.00 0.31 N ATOM 1068 CA GLN A 70 9.037 -4.030 12.478 1.00 0.33 C ATOM 1069 C GLN A 70 8.588 -5.411 12.951 1.00 0.32 C ATOM 1070 O GLN A 70 8.625 -5.716 14.145 1.00 0.45 O ATOM 1071 CB GLN A 70 10.356 -3.640 13.157 1.00 0.43 C ATOM 1072 CG GLN A 70 11.578 -3.839 12.269 1.00 0.61 C ATOM 1073 CD GLN A 70 11.791 -5.290 11.876 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.509 -6.205 12.650 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.287 -5.509 10.667 1.00 1.29 N ATOM 0 H GLN A 70 8.293 -2.265 13.338 1.00 0.31 H new ATOM 0 HA GLN A 70 9.203 -4.071 11.401 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.304 -2.595 13.461 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.477 -4.230 14.065 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.468 -3.236 11.368 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.463 -3.475 12.790 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.507 -4.723 10.056 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.448 -6.464 10.347 1.00 1.29 H new ATOM 1084 N THR A 71 8.135 -6.227 12.013 1.00 0.29 N ATOM 1085 CA THR A 71 7.690 -7.581 12.312 1.00 0.33 C ATOM 1086 C THR A 71 7.777 -8.456 11.060 1.00 0.30 C ATOM 1087 O THR A 71 6.789 -8.639 10.346 1.00 0.38 O ATOM 1088 CB THR A 71 6.243 -7.594 12.861 1.00 0.43 C ATOM 1089 OG1 THR A 71 6.123 -6.704 13.986 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.829 -8.997 13.279 1.00 0.58 C ATOM 0 H THR A 71 8.065 -5.973 11.028 1.00 0.29 H new ATOM 0 HA THR A 71 8.349 -7.983 13.082 1.00 0.33 H new ATOM 0 HB THR A 71 5.583 -7.257 12.062 1.00 0.43 H new ATOM 0 HG1 THR A 71 7.007 -6.559 14.384 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.808 -8.977 13.661 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.881 -9.663 12.418 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.501 -9.358 14.058 1.00 0.58 H new ATOM 1098 N PRO A 72 8.978 -8.983 10.761 1.00 0.30 N ATOM 1099 CA PRO A 72 9.204 -9.834 9.589 1.00 0.33 C ATOM 1100 C PRO A 72 8.188 -10.968 9.499 1.00 0.31 C ATOM 1101 O PRO A 72 8.081 -11.788 10.418 1.00 0.44 O ATOM 1102 CB PRO A 72 10.621 -10.390 9.797 1.00 0.44 C ATOM 1103 CG PRO A 72 10.999 -10.024 11.197 1.00 0.50 C ATOM 1104 CD PRO A 72 10.208 -8.796 11.537 1.00 0.41 C ATOM 0 HA PRO A 72 9.096 -9.276 8.659 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.642 -11.471 9.656 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.319 -9.961 9.078 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.771 -10.837 11.887 1.00 0.50 H new ATOM 0 HG3 PRO A 72 12.069 -9.831 11.273 1.00 0.50 H new ATOM 0 HD2 PRO A 72 10.006 -8.727 12.606 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.733 -7.884 11.252 1.00 0.41 H new ATOM 1112 N ASN A 73 7.431 -11.004 8.403 1.00 0.28 N ATOM 1113 CA ASN A 73 6.422 -12.043 8.207 1.00 0.31 C ATOM 1114 C ASN A 73 5.889 -12.042 6.775 1.00 0.28 C ATOM 1115 O ASN A 73 5.930 -11.020 6.083 1.00 0.31 O ATOM 1116 CB ASN A 73 5.265 -11.852 9.196 1.00 0.38 C ATOM 1117 CG ASN A 73 5.114 -13.024 10.151 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.213 -13.851 10.005 1.00 1.01 O ATOM 1119 ND2 ASN A 73 6.004 -13.117 11.127 1.00 1.26 N ATOM 0 H ASN A 73 7.497 -10.329 7.641 1.00 0.28 H new ATOM 0 HA ASN A 73 6.898 -13.007 8.390 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.429 -10.940 9.769 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.336 -11.718 8.642 1.00 0.38 H new ATOM 0 HD21 ASN A 73 5.957 -13.892 11.788 1.00 1.26 H new ATOM 0 HD22 ASN A 73 6.737 -12.413 11.218 1.00 1.26 H new ATOM 1126 N GLU A 74 5.362 -13.190 6.349 1.00 0.28 N ATOM 1127 CA GLU A 74 4.816 -13.350 4.997 1.00 0.30 C ATOM 1128 C GLU A 74 3.781 -12.271 4.675 1.00 0.28 C ATOM 1129 O GLU A 74 3.573 -11.925 3.511 1.00 0.31 O ATOM 1130 CB GLU A 74 4.170 -14.726 4.843 1.00 0.37 C ATOM 1131 CG GLU A 74 5.087 -15.877 5.211 1.00 0.45 C ATOM 1132 CD GLU A 74 4.395 -17.219 5.131 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.352 -17.395 5.798 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.893 -18.104 4.408 1.00 0.79 O ATOM 0 H GLU A 74 5.301 -14.030 6.924 1.00 0.28 H new ATOM 0 HA GLU A 74 5.648 -13.252 4.299 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.278 -14.770 5.468 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.843 -14.850 3.811 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.950 -15.877 4.545 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.465 -15.727 6.222 1.00 0.45 H new ATOM 1141 N GLU A 75 3.144 -11.731 5.712 1.00 0.28 N ATOM 1142 CA GLU A 75 2.126 -10.696 5.540 1.00 0.30 C ATOM 1143 C GLU A 75 2.675 -9.472 4.785 1.00 0.34 C ATOM 1144 O GLU A 75 1.909 -8.589 4.400 1.00 0.60 O ATOM 1145 CB GLU A 75 1.564 -10.255 6.898 1.00 0.37 C ATOM 1146 CG GLU A 75 1.340 -11.390 7.895 1.00 0.49 C ATOM 1147 CD GLU A 75 0.845 -12.672 7.252 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.296 -12.695 6.741 1.00 1.21 O ATOM 1149 OE2 GLU A 75 1.594 -13.674 7.266 1.00 1.26 O ATOM 0 H GLU A 75 3.315 -11.994 6.683 1.00 0.28 H new ATOM 0 HA GLU A 75 1.325 -11.133 4.943 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.247 -9.530 7.341 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.617 -9.741 6.734 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.274 -11.593 8.418 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.618 -11.067 8.645 1.00 0.49 H new ATOM 1156 N CYS A 76 3.996 -9.407 4.597 1.00 0.25 N ATOM 1157 CA CYS A 76 4.616 -8.297 3.877 1.00 0.28 C ATOM 1158 C CYS A 76 4.653 -8.556 2.359 1.00 0.28 C ATOM 1159 O CYS A 76 5.114 -7.707 1.593 1.00 0.36 O ATOM 1160 CB CYS A 76 6.037 -8.064 4.403 1.00 0.31 C ATOM 1161 SG CYS A 76 6.758 -6.473 3.937 1.00 0.49 S ATOM 0 H CYS A 76 4.654 -10.110 4.934 1.00 0.25 H new ATOM 0 HA CYS A 76 4.011 -7.406 4.049 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.025 -8.138 5.490 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.682 -8.862 4.036 1.00 0.31 H new ATOM 0 HG CYS A 76 6.214 -5.527 4.643 1.00 0.49 H new ATOM 1167 N LEU A 77 4.180 -9.728 1.924 1.00 0.27 N ATOM 1168 CA LEU A 77 4.172 -10.066 0.503 1.00 0.31 C ATOM 1169 C LEU A 77 2.839 -9.688 -0.143 1.00 0.25 C ATOM 1170 O LEU A 77 1.784 -10.226 0.215 1.00 0.31 O ATOM 1171 CB LEU A 77 4.456 -11.557 0.299 1.00 0.41 C ATOM 1172 CG LEU A 77 5.939 -11.936 0.232 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.624 -11.209 -0.920 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.641 -11.632 1.549 1.00 0.58 C ATOM 0 H LEU A 77 3.801 -10.453 2.533 1.00 0.27 H new ATOM 0 HA LEU A 77 4.962 -9.492 0.019 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.992 -12.114 1.113 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.973 -11.879 -0.623 1.00 0.41 H new ATOM 0 HG LEU A 77 6.006 -13.009 0.054 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.677 -11.490 -0.953 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.145 -11.484 -1.860 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.540 -10.132 -0.772 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.692 -11.911 1.474 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.563 -10.567 1.766 1.00 0.58 H new ATOM 0 HD23 LEU A 77 6.171 -12.201 2.351 1.00 0.58 H new ATOM 1186 N PHE A 78 2.895 -8.776 -1.110 1.00 0.21 N ATOM 1187 CA PHE A 78 1.697 -8.312 -1.797 1.00 0.21 C ATOM 1188 C PHE A 78 1.831 -8.473 -3.310 1.00 0.19 C ATOM 1189 O PHE A 78 2.904 -8.800 -3.821 1.00 0.23 O ATOM 1190 CB PHE A 78 1.431 -6.844 -1.458 1.00 0.26 C ATOM 1191 CG PHE A 78 1.264 -6.585 0.014 1.00 0.29 C ATOM 1192 CD1 PHE A 78 2.372 -6.464 0.839 1.00 0.32 C ATOM 1193 CD2 PHE A 78 0.003 -6.460 0.571 1.00 0.46 C ATOM 1194 CE1 PHE A 78 2.223 -6.223 2.191 1.00 0.38 C ATOM 1195 CE2 PHE A 78 -0.152 -6.219 1.922 1.00 0.53 C ATOM 1196 CZ PHE A 78 0.961 -6.100 2.733 1.00 0.45 C ATOM 0 H PHE A 78 3.760 -8.344 -1.435 1.00 0.21 H new ATOM 0 HA PHE A 78 0.859 -8.922 -1.459 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.256 -6.238 -1.833 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.532 -6.517 -1.980 1.00 0.26 H new ATOM 0 HD1 PHE A 78 3.363 -6.559 0.420 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -0.870 -6.552 -0.058 1.00 0.46 H new ATOM 0 HE1 PHE A 78 3.094 -6.131 2.823 1.00 0.38 H new ATOM 0 HE2 PHE A 78 -1.141 -6.124 2.344 1.00 0.53 H new ATOM 0 HZ PHE A 78 0.842 -5.911 3.790 1.00 0.45 H new ATOM 1206 N LEU A 79 0.729 -8.249 -4.013 1.00 0.21 N ATOM 1207 CA LEU A 79 0.693 -8.348 -5.467 1.00 0.21 C ATOM 1208 C LEU A 79 0.444 -6.957 -6.062 1.00 0.20 C ATOM 1209 O LEU A 79 -0.578 -6.332 -5.763 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.418 -9.324 -5.891 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.230 -10.017 -7.249 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.177 -9.002 -8.381 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.019 -10.886 -7.239 1.00 0.35 C ATOM 0 H LEU A 79 -0.165 -7.994 -3.593 1.00 0.21 H new ATOM 0 HA LEU A 79 1.646 -8.726 -5.837 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.510 -10.093 -5.124 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.362 -8.780 -5.912 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.093 -10.661 -7.421 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.043 -9.522 -9.330 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.108 -8.435 -8.406 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.658 -8.321 -8.220 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.135 -11.368 -8.210 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.892 -10.266 -7.036 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.926 -11.647 -6.464 1.00 0.35 H new ATOM 1225 N GLU A 80 1.381 -6.473 -6.881 1.00 0.21 N ATOM 1226 CA GLU A 80 1.253 -5.150 -7.503 1.00 0.22 C ATOM 1227 C GLU A 80 0.703 -5.286 -8.922 1.00 0.22 C ATOM 1228 O GLU A 80 1.307 -5.939 -9.775 1.00 0.35 O ATOM 1229 CB GLU A 80 2.605 -4.418 -7.527 1.00 0.28 C ATOM 1230 CG GLU A 80 2.509 -2.962 -7.971 1.00 0.33 C ATOM 1231 CD GLU A 80 3.842 -2.230 -7.907 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.772 -2.615 -8.643 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.966 -1.253 -7.131 1.00 0.45 O ATOM 0 H GLU A 80 2.234 -6.974 -7.129 1.00 0.21 H new ATOM 0 HA GLU A 80 0.557 -4.560 -6.906 1.00 0.22 H new ATOM 0 HB2 GLU A 80 3.046 -4.456 -6.531 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.283 -4.948 -8.196 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.129 -2.924 -8.992 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.786 -2.443 -7.342 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.449 -4.678 -9.162 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.090 -4.730 -10.468 1.00 0.23 C ATOM 1242 C ARG A 81 -1.218 -3.328 -11.068 1.00 0.20 C ATOM 1243 O ARG A 81 -2.167 -2.602 -10.772 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.463 -5.393 -10.323 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.217 -5.585 -11.625 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.299 -6.644 -11.470 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.310 -6.574 -12.528 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.125 -7.582 -12.864 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.026 -8.764 -12.253 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -7.040 -7.409 -13.814 1.00 1.02 N ATOM 0 H ARG A 81 -0.962 -4.139 -8.464 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.477 -5.320 -11.149 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.333 -6.365 -9.848 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.073 -4.789 -9.652 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.667 -4.641 -11.933 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.523 -5.879 -12.413 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -3.839 -7.632 -11.477 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -4.783 -6.524 -10.501 1.00 0.50 H new ATOM 0 HE ARG A 81 -5.399 -5.698 -13.043 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -5.326 -8.904 -11.525 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -6.650 -9.527 -12.514 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -7.121 -6.509 -14.286 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.661 -8.177 -14.070 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.251 -2.949 -11.903 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.248 -1.630 -12.536 1.00 0.24 C ATOM 1266 C LEU A 82 -0.826 -1.711 -13.947 1.00 0.27 C ATOM 1267 O LEU A 82 -0.371 -2.508 -14.767 1.00 0.40 O ATOM 1268 CB LEU A 82 1.178 -1.064 -12.570 1.00 0.32 C ATOM 1269 CG LEU A 82 1.309 0.369 -13.097 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.437 1.321 -12.291 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.764 0.814 -13.061 1.00 0.54 C ATOM 0 H LEU A 82 0.542 -3.538 -12.157 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.876 -0.960 -11.949 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.588 -1.100 -11.561 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.794 -1.717 -13.188 1.00 0.32 H new ATOM 0 HG LEU A 82 0.966 0.389 -14.131 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.545 2.333 -12.682 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.606 1.012 -12.367 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.746 1.301 -11.246 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.842 1.834 -13.438 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.130 0.778 -12.035 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.363 0.150 -13.684 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.828 -0.879 -14.227 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.471 -0.873 -15.540 1.00 0.36 C ATOM 1285 C GLU A 83 -2.035 0.329 -16.389 1.00 0.44 C ATOM 1286 O GLU A 83 -2.685 0.662 -17.380 1.00 1.00 O ATOM 1287 CB GLU A 83 -3.990 -0.882 -15.380 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.728 -1.287 -16.644 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.226 -1.338 -16.452 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -6.692 -2.124 -15.605 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.949 -0.601 -17.150 1.00 1.24 O ATOM 0 H GLU A 83 -2.211 -0.203 -13.566 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.155 -1.775 -16.065 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.259 -1.567 -14.576 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.322 0.111 -15.077 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.491 -0.581 -17.440 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.374 -2.265 -16.969 1.00 0.67 H new ATOM 1298 N GLU A 84 -0.947 0.987 -15.992 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.412 2.140 -16.727 1.00 0.38 C ATOM 1300 C GLU A 84 -1.322 3.376 -16.640 1.00 0.31 C ATOM 1301 O GLU A 84 -0.836 4.479 -16.374 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.159 1.769 -18.196 1.00 0.50 C ATOM 1303 CG GLU A 84 0.341 2.928 -19.050 1.00 0.90 C ATOM 1304 CD GLU A 84 1.017 2.477 -20.333 1.00 0.94 C ATOM 1305 OE1 GLU A 84 0.555 1.495 -20.952 1.00 1.14 O ATOM 1306 OE2 GLU A 84 2.020 3.102 -20.730 1.00 1.23 O ATOM 0 H GLU A 84 -0.412 0.741 -15.159 1.00 0.37 H new ATOM 0 HA GLU A 84 0.532 2.406 -16.251 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.571 0.961 -18.235 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.083 1.385 -18.628 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -0.499 3.577 -19.298 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.043 3.524 -18.467 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.626 3.198 -16.868 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.587 4.310 -16.826 1.00 0.37 C ATOM 1315 C ASN A 85 -3.677 4.954 -15.435 1.00 0.29 C ATOM 1316 O ASN A 85 -4.713 4.893 -14.775 1.00 0.33 O ATOM 1317 CB ASN A 85 -4.980 3.846 -17.273 1.00 0.49 C ATOM 1318 CG ASN A 85 -5.964 5.001 -17.390 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.574 6.138 -17.659 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.245 4.720 -17.197 1.00 0.79 N ATOM 0 H ASN A 85 -3.044 2.293 -17.084 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.217 5.066 -17.519 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -4.901 3.341 -18.235 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.363 3.116 -16.560 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -7.946 5.458 -17.270 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.530 3.766 -16.976 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.573 5.561 -15.004 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.488 6.257 -13.716 1.00 0.33 C ATOM 1329 C HIS A 86 -3.268 5.547 -12.604 1.00 0.30 C ATOM 1330 O HIS A 86 -3.910 6.198 -11.780 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.978 7.705 -13.865 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.438 7.835 -14.185 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.929 7.839 -15.472 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.517 7.972 -13.377 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.240 7.970 -15.443 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.626 8.053 -14.185 1.00 0.71 N ATOM 0 H HIS A 86 -1.705 5.585 -15.540 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.439 6.251 -13.420 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.772 8.243 -12.939 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.401 8.192 -14.651 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -5.507 8.010 -12.298 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.889 8.004 -16.305 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -7.588 8.160 -13.864 1.00 0.71 H new ATOM 1345 N TYR A 87 -3.206 4.221 -12.571 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.903 3.458 -11.543 1.00 0.34 C ATOM 1347 C TYR A 87 -3.366 2.032 -11.468 1.00 0.24 C ATOM 1348 O TYR A 87 -2.908 1.471 -12.471 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.425 3.477 -11.786 1.00 0.53 C ATOM 1350 CG TYR A 87 -6.026 2.157 -12.222 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.333 1.166 -11.295 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.301 1.908 -13.559 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.893 -0.034 -11.690 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.866 0.714 -13.960 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.158 -0.255 -13.023 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.724 -1.450 -13.419 1.00 1.27 O ATOM 0 H TYR A 87 -2.684 3.655 -13.240 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.717 3.931 -10.579 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.919 3.797 -10.869 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.646 4.227 -12.546 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -6.130 1.338 -10.248 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.069 2.661 -14.298 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.121 -0.794 -10.957 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.079 0.539 -15.004 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.147 -1.881 -14.084 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.413 1.461 -10.273 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.931 0.105 -10.045 1.00 0.20 C ATOM 1368 C ASN A 88 -3.733 -0.566 -8.933 1.00 0.20 C ATOM 1369 O ASN A 88 -4.507 0.092 -8.236 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.438 0.127 -9.682 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.191 0.028 -8.186 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.428 1.115 -7.467 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.816 -1.026 -7.678 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.783 1.919 -9.440 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.062 -0.469 -10.963 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.935 -0.700 -10.184 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.991 1.047 -10.059 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.644 -1.842 -8.265 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.677 -1.085 -6.669 1.00 0.24 H new ATOM 1380 N THR A 89 -3.539 -1.867 -8.772 1.00 0.23 N ATOM 1381 CA THR A 89 -4.231 -2.632 -7.746 1.00 0.26 C ATOM 1382 C THR A 89 -3.235 -3.379 -6.859 1.00 0.21 C ATOM 1383 O THR A 89 -2.280 -3.980 -7.355 1.00 0.25 O ATOM 1384 CB THR A 89 -5.222 -3.647 -8.364 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.175 -3.587 -9.800 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.641 -3.367 -7.893 1.00 0.72 C ATOM 0 H THR A 89 -2.901 -2.419 -9.345 1.00 0.23 H new ATOM 0 HA THR A 89 -4.792 -1.919 -7.142 1.00 0.26 H new ATOM 0 HB THR A 89 -4.928 -4.644 -8.037 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.806 -4.236 -10.175 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.322 -4.092 -8.339 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.686 -3.447 -6.807 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.933 -2.361 -8.195 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.463 -3.325 -5.550 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.600 -3.999 -4.585 1.00 0.21 C ATOM 1396 C TYR A 90 -3.392 -5.048 -3.808 1.00 0.23 C ATOM 1397 O TYR A 90 -4.402 -4.726 -3.174 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.000 -2.995 -3.595 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.791 -2.233 -4.103 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.434 -2.865 -4.286 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -0.870 -0.873 -4.370 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.543 -2.161 -4.723 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.232 -0.164 -4.810 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.436 -0.811 -4.985 1.00 0.31 C ATOM 1405 OH TYR A 90 2.537 -0.099 -5.415 1.00 0.36 O ATOM 0 H TYR A 90 -4.243 -2.818 -5.131 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.794 -4.481 -5.139 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.772 -2.277 -3.317 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.719 -3.528 -2.687 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.522 -3.922 -4.084 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.810 -0.359 -4.231 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.488 -2.667 -4.858 1.00 0.29 H new ATOM 0 HE2 TYR A 90 0.150 0.893 -5.016 1.00 0.31 H new ATOM 0 HH TYR A 90 3.203 -0.717 -5.782 1.00 0.36 H new ATOM 1415 N ILE A 91 -2.938 -6.295 -3.854 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.608 -7.379 -3.139 1.00 0.26 C ATOM 1417 C ILE A 91 -2.597 -8.245 -2.390 1.00 0.27 C ATOM 1418 O ILE A 91 -1.394 -8.176 -2.656 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.457 -8.267 -4.079 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.608 -8.818 -5.227 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.648 -7.480 -4.613 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.368 -9.742 -6.157 1.00 0.31 C ATOM 0 H ILE A 91 -2.111 -6.582 -4.377 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.282 -6.908 -2.424 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.831 -9.116 -3.506 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.208 -7.984 -5.804 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.756 -9.356 -4.811 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.238 -8.116 -5.273 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.268 -7.148 -3.780 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.291 -6.612 -5.168 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.702 -10.093 -6.945 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.745 -10.596 -5.594 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.204 -9.203 -6.602 1.00 0.31 H new ATOM 1434 N SER A 92 -3.093 -9.049 -1.455 1.00 0.33 N ATOM 1435 CA SER A 92 -2.247 -9.923 -0.652 1.00 0.37 C ATOM 1436 C SER A 92 -1.716 -11.098 -1.475 1.00 0.31 C ATOM 1437 O SER A 92 -2.455 -11.700 -2.254 1.00 0.44 O ATOM 1438 CB SER A 92 -3.040 -10.438 0.552 1.00 0.50 C ATOM 1439 OG SER A 92 -4.433 -10.495 0.264 1.00 0.82 O ATOM 0 H SER A 92 -4.087 -9.113 -1.234 1.00 0.33 H new ATOM 0 HA SER A 92 -1.389 -9.346 -0.307 1.00 0.37 H new ATOM 0 HB2 SER A 92 -2.682 -11.430 0.829 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.869 -9.786 1.409 1.00 0.50 H new ATOM 0 HG SER A 92 -4.664 -11.391 -0.059 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.437 -11.419 -1.296 1.00 0.31 N ATOM 1446 CA LYS A 93 0.184 -12.525 -2.019 1.00 0.31 C ATOM 1447 C LYS A 93 -0.226 -13.863 -1.405 1.00 0.29 C ATOM 1448 O LYS A 93 -0.776 -14.723 -2.089 1.00 0.35 O ATOM 1449 CB LYS A 93 1.710 -12.371 -2.008 1.00 0.42 C ATOM 1450 CG LYS A 93 2.468 -13.530 -2.649 1.00 0.55 C ATOM 1451 CD LYS A 93 2.733 -14.648 -1.650 1.00 0.74 C ATOM 1452 CE LYS A 93 4.006 -15.415 -1.983 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.887 -16.187 -3.247 1.00 0.80 N ATOM 0 H LYS A 93 0.189 -10.929 -0.657 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.161 -12.505 -3.053 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.973 -11.450 -2.528 1.00 0.42 H new ATOM 0 HB3 LYS A 93 2.044 -12.262 -0.976 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.894 -13.921 -3.489 1.00 0.55 H new ATOM 0 HG3 LYS A 93 3.415 -13.168 -3.051 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.814 -14.228 -0.647 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.887 -15.335 -1.641 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.838 -14.715 -2.065 1.00 0.80 H new ATOM 0 HE3 LYS A 93 4.241 -16.096 -1.165 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.448 -17.060 -3.175 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.889 -16.429 -3.413 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.241 -15.613 -4.039 1.00 0.80 H new ATOM 1467 N LYS A 94 0.042 -14.037 -0.109 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.310 -15.281 0.575 1.00 0.31 C ATOM 1469 C LYS A 94 -1.824 -15.400 0.743 1.00 0.31 C ATOM 1470 O LYS A 94 -2.402 -16.463 0.506 1.00 0.56 O ATOM 1471 CB LYS A 94 0.381 -15.370 1.939 1.00 0.36 C ATOM 1472 CG LYS A 94 0.151 -16.699 2.646 1.00 0.55 C ATOM 1473 CD LYS A 94 0.979 -16.820 3.917 1.00 0.55 C ATOM 1474 CE LYS A 94 0.610 -15.753 4.937 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.224 -16.020 6.265 1.00 0.69 N ATOM 0 H LYS A 94 0.496 -13.340 0.481 1.00 0.28 H new ATOM 0 HA LYS A 94 0.037 -16.109 -0.043 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.452 -15.218 1.806 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.020 -14.561 2.575 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.906 -16.801 2.891 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.402 -17.517 1.971 1.00 0.55 H new ATOM 0 HD2 LYS A 94 0.831 -17.807 4.354 1.00 0.55 H new ATOM 0 HD3 LYS A 94 2.037 -16.736 3.670 1.00 0.55 H new ATOM 0 HE2 LYS A 94 0.936 -14.777 4.576 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -0.474 -15.709 5.040 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 1.599 -15.133 6.659 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 0.505 -16.408 6.908 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.998 -16.706 6.158 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.466 -14.306 1.141 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.915 -14.301 1.336 1.00 0.28 C ATOM 1491 C HIS A 95 -4.619 -14.195 -0.013 1.00 0.27 C ATOM 1492 O HIS A 95 -5.246 -13.181 -0.324 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.346 -13.145 2.252 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.701 -13.159 3.606 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.344 -13.592 4.746 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.463 -12.773 4.001 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.532 -13.470 5.782 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.385 -12.978 5.353 1.00 0.50 N ATOM 0 H HIS A 95 -2.010 -13.414 1.335 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.200 -15.236 1.818 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.112 -12.201 1.761 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.428 -13.180 2.377 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.683 -12.377 3.367 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.767 -13.729 6.804 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.571 -12.782 5.935 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.481 -15.244 -0.819 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.092 -15.287 -2.145 1.00 0.35 C ATOM 1509 C ALA A 96 -6.599 -15.515 -2.052 1.00 0.34 C ATOM 1510 O ALA A 96 -7.357 -15.040 -2.900 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.450 -16.376 -2.993 1.00 0.44 C ATOM 0 H ALA A 96 -3.949 -16.080 -0.576 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.922 -14.321 -2.621 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.918 -16.394 -3.977 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.385 -16.173 -3.101 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.587 -17.343 -2.509 1.00 0.44 H new ATOM 1517 N GLU A 97 -7.022 -16.252 -1.023 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.441 -16.546 -0.819 1.00 0.38 C ATOM 1519 C GLU A 97 -9.224 -15.266 -0.530 1.00 0.37 C ATOM 1520 O GLU A 97 -10.377 -15.124 -0.942 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.634 -17.528 0.344 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.658 -18.696 0.343 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.499 -19.335 -1.021 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -8.424 -20.047 -1.465 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -6.439 -19.145 -1.650 1.00 0.93 O ATOM 0 H GLU A 97 -6.403 -16.655 -0.320 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.817 -16.999 -1.736 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.533 -16.985 1.284 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.651 -17.919 0.310 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.685 -18.349 0.691 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -8.001 -19.449 1.053 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.591 -14.339 0.181 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.227 -13.077 0.536 1.00 0.38 C ATOM 1534 C LYS A 98 -8.558 -11.917 -0.196 1.00 0.37 C ATOM 1535 O LYS A 98 -7.941 -11.046 0.422 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.169 -12.869 2.054 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.555 -14.112 2.845 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.526 -13.867 4.346 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.780 -13.150 4.820 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.884 -13.124 6.303 1.00 0.89 N ATOM 0 H LYS A 98 -7.635 -14.439 0.523 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.273 -13.111 0.230 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.160 -12.567 2.334 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.835 -12.051 2.328 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.554 -14.433 2.550 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -8.873 -14.925 2.598 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.431 -14.819 4.869 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.648 -13.274 4.602 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.779 -12.129 4.439 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.658 -13.644 4.404 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.753 -12.626 6.581 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.912 -14.098 6.666 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.060 -12.630 6.700 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.676 -11.917 -1.520 1.00 0.40 N ATOM 1555 CA ASN A 99 -8.082 -10.866 -2.342 1.00 0.48 C ATOM 1556 C ASN A 99 -8.875 -9.567 -2.202 1.00 0.44 C ATOM 1557 O ASN A 99 -9.709 -9.233 -3.050 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.998 -11.298 -3.816 1.00 0.64 C ATOM 1559 CG ASN A 99 -9.355 -11.606 -4.431 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -10.219 -12.209 -3.793 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -9.556 -11.189 -5.675 1.00 1.07 N ATOM 0 H ASN A 99 -9.177 -12.632 -2.047 1.00 0.40 H new ATOM 0 HA ASN A 99 -7.066 -10.690 -1.988 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.517 -10.508 -4.392 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.363 -12.181 -3.893 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -10.450 -11.365 -6.134 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.817 -10.692 -6.172 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.622 -8.849 -1.116 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.297 -7.587 -0.854 1.00 0.32 C ATOM 1570 C TRP A 100 -8.359 -6.414 -1.124 1.00 0.32 C ATOM 1571 O TRP A 100 -7.207 -6.412 -0.684 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.800 -7.543 0.588 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.887 -8.530 0.881 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.762 -9.701 1.568 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.262 -8.431 0.503 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.978 -10.336 1.641 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.913 -9.578 0.991 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.005 -7.485 -0.209 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.274 -9.800 0.802 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.356 -7.708 -0.396 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.977 -8.859 0.104 1.00 1.08 C ATOM 0 H TRP A 100 -7.950 -9.122 -0.399 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.153 -7.507 -1.524 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.963 -7.729 1.261 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.166 -6.539 0.805 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.842 -10.075 1.993 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.155 -11.227 2.104 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.533 -6.598 -0.605 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.757 -10.684 1.193 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.943 -6.981 -0.938 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.033 -9.006 -0.066 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.861 -5.419 -1.843 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.072 -4.240 -2.190 1.00 0.29 C ATOM 1594 C PHE A 101 -7.858 -3.343 -0.972 1.00 0.29 C ATOM 1595 O PHE A 101 -8.784 -3.114 -0.190 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.760 -3.443 -3.302 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.160 -4.279 -4.485 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.199 -4.853 -5.302 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.496 -4.493 -4.778 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.564 -5.625 -6.387 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.868 -5.265 -5.862 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.900 -5.832 -6.666 1.00 0.64 C ATOM 0 H PHE A 101 -9.816 -5.403 -2.200 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.100 -4.584 -2.543 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.647 -2.958 -2.894 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.090 -2.651 -3.637 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.152 -4.695 -5.088 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.257 -4.051 -4.152 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.805 -6.066 -7.016 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.914 -5.424 -6.080 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.188 -6.437 -7.513 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.638 -2.836 -0.826 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.288 -1.958 0.294 1.00 0.35 C ATOM 1614 C VAL A 102 -6.914 -0.563 0.127 1.00 0.55 C ATOM 1615 O VAL A 102 -7.914 -0.404 -0.581 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.752 -1.837 0.439 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.130 -3.204 0.683 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.134 -1.172 -0.787 1.00 0.82 C ATOM 0 H VAL A 102 -5.869 -3.017 -1.471 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.692 -2.408 1.201 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.543 -1.204 1.302 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.050 -3.100 0.782 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.539 -3.632 1.598 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.355 -3.861 -0.157 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.054 -1.101 -0.657 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.354 -1.767 -1.673 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.552 -0.173 -0.908 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.351 0.439 0.803 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.867 1.792 0.694 1.00 0.46 C ATOM 1630 C GLY A 103 -6.934 2.503 2.032 1.00 0.41 C ATOM 1631 O GLY A 103 -7.655 2.071 2.936 1.00 0.59 O ATOM 0 H GLY A 103 -5.548 0.336 1.423 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.235 2.364 0.015 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.863 1.762 0.253 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.180 3.592 2.157 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.159 4.376 3.384 1.00 0.34 C ATOM 1637 C LEU A 104 -6.910 5.684 3.176 1.00 0.34 C ATOM 1638 O LEU A 104 -6.838 6.286 2.104 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.719 4.653 3.841 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.863 5.488 2.882 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -2.932 6.402 3.663 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.060 4.587 1.951 1.00 0.66 C ATOM 0 H LEU A 104 -5.574 3.951 1.419 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.653 3.800 4.167 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.755 5.163 4.803 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.220 3.698 4.005 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.529 6.102 2.276 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.331 6.988 2.968 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -3.521 7.073 4.289 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.276 5.801 4.293 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.460 5.201 1.279 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.404 3.947 2.541 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.741 3.969 1.366 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.643 6.108 4.194 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.406 7.342 4.115 1.00 0.41 C ATOM 1656 C LYS A 105 -7.654 8.486 4.787 1.00 0.32 C ATOM 1657 O LYS A 105 -7.089 8.312 5.872 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.775 7.165 4.776 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.821 8.151 4.281 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.373 7.742 2.926 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.549 8.612 2.512 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.115 9.896 1.902 1.00 0.60 N ATOM 0 H LYS A 105 -7.725 5.616 5.083 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.547 7.586 3.062 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.129 6.150 4.594 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.665 7.275 5.855 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.635 8.213 5.003 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.381 9.146 4.211 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.586 7.813 2.176 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.687 6.699 2.961 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -13.169 8.066 1.801 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.170 8.818 3.384 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.942 10.510 1.761 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.437 10.368 2.533 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.662 9.709 0.985 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.664 9.652 4.137 1.00 0.36 N ATOM 1677 CA LYS A 106 -7.000 10.856 4.655 1.00 0.46 C ATOM 1678 C LYS A 106 -7.217 11.003 6.161 1.00 0.51 C ATOM 1679 O LYS A 106 -6.315 11.422 6.889 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.520 12.103 3.929 1.00 0.60 C ATOM 1681 CG LYS A 106 -9.040 12.196 3.877 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.506 13.376 3.041 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.216 14.700 3.730 1.00 1.14 C ATOM 1684 NZ LYS A 106 -9.796 15.855 2.993 1.00 1.43 N ATOM 0 H LYS A 106 -8.130 9.791 3.240 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.930 10.753 4.472 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -7.128 12.991 4.425 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.130 12.108 2.911 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.446 11.274 3.462 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -9.433 12.290 4.889 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -9.010 13.354 2.071 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -10.576 13.290 2.854 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -9.620 14.677 4.742 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -8.138 14.833 3.820 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -9.574 16.736 3.498 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.392 15.894 2.035 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.828 15.743 2.929 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.418 10.647 6.615 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.775 10.720 8.033 1.00 0.70 C ATOM 1700 C ASN A 107 -7.710 10.055 8.910 1.00 0.65 C ATOM 1701 O ASN A 107 -7.501 10.459 10.056 1.00 0.82 O ATOM 1702 CB ASN A 107 -10.143 10.062 8.260 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.542 10.010 9.723 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -10.430 8.972 10.373 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -11.014 11.127 10.250 1.00 1.38 N ATOM 0 H ASN A 107 -9.167 10.302 6.015 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.830 11.771 8.318 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.901 10.612 7.702 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -10.124 9.049 7.858 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -11.300 11.148 11.229 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -11.092 11.968 9.678 1.00 1.38 H new ATOM 1712 N GLY A 108 -7.023 9.051 8.363 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.994 8.356 9.116 1.00 0.55 C ATOM 1714 C GLY A 108 -6.391 6.934 9.453 1.00 0.52 C ATOM 1715 O GLY A 108 -6.212 6.484 10.587 1.00 1.00 O ATOM 0 H GLY A 108 -7.162 8.709 7.412 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -5.069 8.346 8.539 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.789 8.902 10.037 1.00 0.55 H new ATOM 1719 N SER A 109 -6.943 6.221 8.477 1.00 0.52 N ATOM 1720 CA SER A 109 -7.368 4.841 8.679 1.00 0.56 C ATOM 1721 C SER A 109 -7.487 4.113 7.341 1.00 0.51 C ATOM 1722 O SER A 109 -7.866 4.714 6.331 1.00 0.81 O ATOM 1723 CB SER A 109 -8.711 4.796 9.424 1.00 0.75 C ATOM 1724 OG SER A 109 -8.632 5.425 10.698 1.00 0.97 O ATOM 0 H SER A 109 -7.107 6.578 7.535 1.00 0.52 H new ATOM 0 HA SER A 109 -6.614 4.338 9.284 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.476 5.288 8.823 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.022 3.759 9.550 1.00 0.75 H new ATOM 0 HG SER A 109 -7.692 5.526 10.955 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.144 2.831 7.333 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.218 2.028 6.121 1.00 0.38 C ATOM 1732 C CYS A 110 -8.507 1.213 6.097 1.00 0.36 C ATOM 1733 O CYS A 110 -8.882 0.597 7.098 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.007 1.098 6.019 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.416 1.940 6.185 1.00 0.61 S ATOM 0 H CYS A 110 -6.811 2.325 8.154 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.215 2.702 5.264 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.084 0.333 6.791 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.036 0.585 5.058 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.514 1.302 5.500 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.186 1.223 4.959 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.429 0.478 4.801 1.00 0.44 C ATOM 1743 C LYS A 111 -10.208 -0.699 3.863 1.00 0.47 C ATOM 1744 O LYS A 111 -10.251 -0.552 2.636 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.547 1.383 4.269 1.00 0.60 C ATOM 1746 CG LYS A 111 -12.008 2.442 5.262 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.532 1.820 6.552 1.00 0.79 C ATOM 1748 CE LYS A 111 -13.048 2.882 7.518 1.00 0.94 C ATOM 1749 NZ LYS A 111 -13.305 2.342 8.883 1.00 1.27 N ATOM 0 H LYS A 111 -8.897 1.740 4.129 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.736 0.104 5.778 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.201 1.877 3.361 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.400 0.765 3.990 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.178 3.110 5.492 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.790 3.050 4.808 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.333 1.119 6.319 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.737 1.248 7.030 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -12.321 3.692 7.583 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.969 3.311 7.122 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -13.654 3.105 9.498 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -14.019 1.587 8.829 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -12.422 1.957 9.276 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.932 -1.860 4.452 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.696 -3.080 3.688 1.00 0.36 C ATOM 1765 C ARG A 112 -10.553 -4.224 4.224 1.00 0.37 C ATOM 1766 O ARG A 112 -11.313 -4.839 3.478 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.213 -3.465 3.747 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.721 -4.215 2.520 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.424 -5.553 2.346 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.073 -6.509 3.402 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.947 -7.325 4.012 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.248 -7.284 3.714 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.515 -8.179 4.937 1.00 1.57 N ATOM 0 H ARG A 112 -9.866 -1.980 5.463 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.973 -2.894 2.650 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.618 -2.560 3.870 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.043 -4.081 4.630 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.883 -3.603 1.633 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.647 -4.379 2.603 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.503 -5.396 2.345 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.162 -5.975 1.376 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.097 -6.557 3.693 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.590 -6.626 3.014 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.899 -7.911 4.186 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.525 -8.211 5.179 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -9.174 -8.802 5.404 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.417 -4.501 5.519 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.170 -5.576 6.146 1.00 0.43 C ATOM 1789 C GLY A 113 -12.661 -5.318 6.191 1.00 0.41 C ATOM 1790 O GLY A 113 -13.441 -6.077 5.612 1.00 0.46 O ATOM 0 H GLY A 113 -9.794 -3.996 6.149 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -10.985 -6.503 5.604 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.803 -5.722 7.162 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.091 -4.244 6.876 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.510 -3.896 7.006 1.00 0.50 C ATOM 1796 C PRO A 114 -15.273 -3.969 5.683 1.00 0.41 C ATOM 1797 O PRO A 114 -16.303 -4.639 5.587 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.463 -2.459 7.527 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.195 -2.384 8.302 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.223 -3.288 7.595 1.00 0.52 C ATOM 0 HA PRO A 114 -15.040 -4.591 7.657 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.471 -1.740 6.708 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.326 -2.236 8.155 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.820 -1.361 8.339 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.348 -2.705 9.332 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.586 -2.731 6.908 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.565 -3.797 8.299 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.765 -3.289 4.663 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.408 -3.280 3.354 1.00 0.39 C ATOM 1810 C ARG A 115 -14.569 -2.491 2.353 1.00 0.44 C ATOM 1811 O ARG A 115 -14.346 -1.289 2.527 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.813 -2.673 3.458 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.564 -2.621 2.134 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.760 -1.682 2.209 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.356 -0.297 2.483 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.155 0.770 2.343 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.415 0.622 1.940 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.690 1.987 2.616 1.00 1.47 N ATOM 0 H ARG A 115 -13.909 -2.736 4.716 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.493 -4.308 3.003 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.397 -3.253 4.173 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.732 -1.662 3.858 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.889 -2.291 1.344 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.902 -3.622 1.866 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.310 -1.720 1.269 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.440 -2.023 2.990 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.401 -0.136 2.802 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.779 -0.309 1.735 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.017 1.439 1.836 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.727 2.106 2.931 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.296 2.800 2.510 1.00 1.47 H new ATOM 1832 N THR A 116 -14.102 -3.169 1.315 1.00 0.36 N ATOM 1833 CA THR A 116 -13.290 -2.535 0.289 1.00 0.38 C ATOM 1834 C THR A 116 -13.769 -2.956 -1.106 1.00 0.39 C ATOM 1835 O THR A 116 -13.706 -4.128 -1.474 1.00 0.51 O ATOM 1836 CB THR A 116 -11.787 -2.859 0.480 1.00 0.45 C ATOM 1837 OG1 THR A 116 -10.981 -1.985 -0.328 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.485 -4.312 0.139 1.00 0.58 C ATOM 0 H THR A 116 -14.273 -4.163 1.161 1.00 0.36 H new ATOM 0 HA THR A 116 -13.407 -1.455 0.384 1.00 0.38 H new ATOM 0 HB THR A 116 -11.543 -2.701 1.531 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.035 -2.120 -0.112 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.422 -4.506 0.284 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.065 -4.967 0.789 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.751 -4.505 -0.900 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.271 -1.980 -1.858 1.00 0.37 N ATOM 1847 CA HIS A 117 -14.790 -2.200 -3.211 1.00 0.39 C ATOM 1848 C HIS A 117 -15.414 -0.912 -3.738 1.00 0.36 C ATOM 1849 O HIS A 117 -15.104 -0.466 -4.842 1.00 0.42 O ATOM 1850 CB HIS A 117 -15.841 -3.319 -3.232 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.298 -4.667 -3.596 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.797 -5.842 -3.072 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.301 -5.029 -4.437 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.130 -6.864 -3.574 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.217 -6.399 -4.401 1.00 0.89 N ATOM 0 H HIS A 117 -14.331 -1.010 -1.548 1.00 0.37 H new ATOM 0 HA HIS A 117 -13.957 -2.499 -3.846 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.308 -3.382 -2.249 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -16.625 -3.052 -3.941 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -13.686 -4.364 -5.026 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -15.304 -7.905 -3.345 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -13.554 -6.965 -4.930 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.294 -0.325 -2.931 1.00 0.38 N ATOM 1865 CA TYR A 118 -16.960 0.923 -3.287 1.00 0.41 C ATOM 1866 C TYR A 118 -16.002 2.099 -3.153 1.00 0.39 C ATOM 1867 O TYR A 118 -15.088 2.068 -2.325 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.166 1.166 -2.375 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.427 0.446 -2.791 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.225 0.944 -3.813 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.832 -0.717 -2.151 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.390 0.304 -4.184 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.994 -1.364 -2.520 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.769 -0.849 -3.536 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.931 -1.485 -3.897 1.00 1.05 O ATOM 0 H TYR A 118 -16.563 -0.697 -2.020 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.293 0.839 -4.322 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -17.906 0.859 -1.362 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.369 2.236 -2.341 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.929 1.847 -4.326 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.229 -1.122 -1.352 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -22.001 0.706 -4.979 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.294 -2.270 -2.015 1.00 0.87 H new ATOM 0 HH TYR A 118 -23.052 -2.284 -3.343 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.219 3.126 -3.961 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.384 4.308 -3.901 1.00 0.39 C ATOM 1887 C GLY A 119 -14.047 4.119 -4.591 1.00 0.37 C ATOM 1888 O GLY A 119 -13.364 3.115 -4.374 1.00 0.44 O ATOM 0 H GLY A 119 -16.961 3.162 -4.660 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.911 5.143 -4.362 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.215 4.575 -2.858 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.675 5.098 -5.410 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.414 5.066 -6.154 1.00 0.38 C ATOM 1894 C GLN A 120 -11.266 4.547 -5.287 1.00 0.37 C ATOM 1895 O GLN A 120 -10.430 3.778 -5.756 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.077 6.460 -6.688 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.033 6.944 -7.768 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.785 8.386 -8.164 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.969 8.673 -9.039 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.495 9.306 -7.526 1.00 1.00 N ATOM 0 H GLN A 120 -14.235 5.934 -5.578 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.541 4.381 -6.992 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.087 7.169 -5.861 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.063 6.452 -7.088 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.934 6.308 -8.647 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.058 6.840 -7.413 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -14.162 9.027 -6.806 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.374 10.293 -7.755 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.244 4.954 -4.016 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.197 4.529 -3.082 1.00 0.61 C ATOM 1911 C LYS A 121 -9.980 3.014 -3.133 1.00 0.58 C ATOM 1912 O LYS A 121 -8.882 2.531 -2.868 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.548 4.956 -1.646 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.384 3.938 -0.873 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.514 2.860 -0.224 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.227 1.512 -0.188 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.307 0.386 0.153 1.00 1.70 N ATOM 0 H LYS A 121 -11.940 5.578 -3.609 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.271 5.017 -3.386 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.624 5.140 -1.098 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.090 5.901 -1.683 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.960 4.451 -0.103 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.100 3.469 -1.548 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.580 2.764 -0.777 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.254 3.163 0.790 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.034 1.551 0.543 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.685 1.321 -1.158 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.721 -0.511 -0.172 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.390 0.534 -0.314 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.169 0.350 1.183 1.00 1.70 H new ATOM 1931 N ALA A 122 -11.035 2.272 -3.457 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.956 0.821 -3.517 1.00 0.65 C ATOM 1933 C ALA A 122 -10.052 0.338 -4.650 1.00 0.57 C ATOM 1934 O ALA A 122 -9.441 -0.727 -4.542 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.350 0.226 -3.657 1.00 0.77 C ATOM 0 H ALA A 122 -11.954 2.654 -3.682 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.510 0.478 -2.583 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.279 -0.861 -3.701 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.957 0.516 -2.799 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.814 0.597 -4.571 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.963 1.114 -5.731 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.136 0.730 -6.873 1.00 0.48 C ATOM 1943 C ILE A 123 -8.504 1.956 -7.545 1.00 0.41 C ATOM 1944 O ILE A 123 -8.429 2.033 -8.773 1.00 0.61 O ATOM 1945 CB ILE A 123 -9.948 -0.063 -7.935 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -10.947 -1.027 -7.278 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.007 -0.838 -8.850 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.292 -0.401 -6.979 1.00 0.79 C ATOM 0 H ILE A 123 -10.449 2.004 -5.839 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.349 0.088 -6.478 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.513 0.659 -8.524 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.094 -1.886 -7.933 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.517 -1.404 -6.350 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.589 -1.389 -9.589 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.340 -0.142 -9.359 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.418 -1.538 -8.257 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.944 -1.142 -6.516 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.159 0.440 -6.299 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.744 -0.049 -7.906 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.035 2.909 -6.744 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.416 4.114 -7.289 1.00 0.29 C ATOM 1962 C LEU A 124 -6.129 4.460 -6.538 1.00 0.26 C ATOM 1963 O LEU A 124 -6.038 5.492 -5.867 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.398 5.293 -7.252 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.966 6.524 -8.054 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.642 6.144 -9.493 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.050 7.592 -8.012 1.00 0.58 C ATOM 0 H LEU A 124 -8.071 2.872 -5.725 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.156 3.916 -8.329 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.363 4.954 -7.628 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.547 5.589 -6.214 1.00 0.33 H new ATOM 0 HG LEU A 124 -7.063 6.931 -7.599 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.337 7.034 -10.044 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.831 5.415 -9.503 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.525 5.711 -9.963 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.728 8.460 -8.587 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.970 7.194 -8.441 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.230 7.887 -6.978 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.137 3.583 -6.656 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.845 3.784 -6.006 1.00 0.23 C ATOM 1981 C PHE A 125 -2.787 4.123 -7.052 1.00 0.17 C ATOM 1982 O PHE A 125 -2.647 3.405 -8.053 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.420 2.530 -5.228 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.552 1.819 -4.536 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.049 2.284 -3.330 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -5.113 0.683 -5.097 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.086 1.629 -2.698 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -6.152 0.024 -4.469 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.639 0.498 -3.267 1.00 0.54 C ATOM 0 H PHE A 125 -5.203 2.722 -7.198 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.941 4.610 -5.302 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.937 1.836 -5.916 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.675 2.813 -4.484 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.621 3.168 -2.880 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.734 0.308 -6.036 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.466 2.001 -1.758 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.582 -0.860 -4.917 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.451 -0.015 -2.772 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.047 5.201 -6.823 1.00 0.18 N ATOM 2000 CA LEU A 126 -1.013 5.636 -7.752 1.00 0.19 C ATOM 2001 C LEU A 126 0.368 5.596 -7.093 1.00 0.20 C ATOM 2002 O LEU A 126 0.760 6.529 -6.386 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.319 7.049 -8.264 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.364 7.579 -9.337 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.364 6.668 -10.557 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.739 9.004 -9.728 1.00 0.59 C ATOM 0 H LEU A 126 -2.145 5.792 -5.998 1.00 0.18 H new ATOM 0 HA LEU A 126 -1.005 4.949 -8.598 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.332 7.060 -8.666 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.304 7.735 -7.417 1.00 0.32 H new ATOM 0 HG LEU A 126 0.644 7.590 -8.923 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.321 7.064 -11.307 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.044 5.668 -10.264 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.370 6.619 -10.975 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.050 9.365 -10.492 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.756 9.018 -10.121 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.680 9.649 -8.852 1.00 0.59 H new ATOM 2018 N PRO A 127 1.108 4.496 -7.290 1.00 0.21 N ATOM 2019 CA PRO A 127 2.439 4.326 -6.742 1.00 0.29 C ATOM 2020 C PRO A 127 3.515 4.700 -7.757 1.00 0.25 C ATOM 2021 O PRO A 127 3.238 4.799 -8.955 1.00 0.38 O ATOM 2022 CB PRO A 127 2.473 2.829 -6.453 1.00 0.42 C ATOM 2023 CG PRO A 127 1.610 2.213 -7.512 1.00 0.43 C ATOM 2024 CD PRO A 127 0.707 3.306 -8.051 1.00 0.32 C ATOM 0 HA PRO A 127 2.633 4.956 -5.874 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.491 2.441 -6.497 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.092 2.610 -5.456 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.222 1.792 -8.310 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.019 1.396 -7.099 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.848 3.450 -9.122 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.345 3.068 -7.897 1.00 0.32 H new ATOM 2032 N LEU A 128 4.741 4.906 -7.293 1.00 0.22 N ATOM 2033 CA LEU A 128 5.830 5.249 -8.200 1.00 0.21 C ATOM 2034 C LEU A 128 6.123 4.073 -9.136 1.00 0.23 C ATOM 2035 O LEU A 128 6.147 2.918 -8.698 1.00 0.26 O ATOM 2036 CB LEU A 128 7.093 5.642 -7.430 1.00 0.23 C ATOM 2037 CG LEU A 128 8.088 6.502 -8.218 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.459 7.836 -8.599 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.360 6.730 -7.416 1.00 0.37 C ATOM 0 H LEU A 128 5.005 4.843 -6.310 1.00 0.22 H new ATOM 0 HA LEU A 128 5.519 6.110 -8.792 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.799 6.184 -6.531 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.599 4.734 -7.103 1.00 0.23 H new ATOM 0 HG LEU A 128 8.348 5.966 -9.131 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.181 8.432 -9.158 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.578 7.660 -9.217 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.167 8.372 -7.696 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.051 7.343 -7.996 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.116 7.241 -6.484 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.826 5.770 -7.193 1.00 0.37 H new ATOM 2051 N PRO A 129 6.350 4.359 -10.433 1.00 0.27 N ATOM 2052 CA PRO A 129 6.621 3.329 -11.457 1.00 0.33 C ATOM 2053 C PRO A 129 7.833 2.440 -11.150 1.00 0.33 C ATOM 2054 O PRO A 129 8.032 1.415 -11.804 1.00 0.67 O ATOM 2055 CB PRO A 129 6.881 4.149 -12.723 1.00 0.45 C ATOM 2056 CG PRO A 129 6.196 5.447 -12.483 1.00 0.47 C ATOM 2057 CD PRO A 129 6.344 5.713 -11.016 1.00 0.30 C ATOM 0 HA PRO A 129 5.789 2.629 -11.528 1.00 0.33 H new ATOM 0 HB2 PRO A 129 7.949 4.290 -12.890 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.483 3.649 -13.606 1.00 0.45 H new ATOM 0 HG2 PRO A 129 6.647 6.244 -13.074 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.145 5.395 -12.768 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.265 6.252 -10.794 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.522 6.315 -10.630 1.00 0.30 H new ATOM 2065 N VAL A 130 8.652 2.840 -10.183 1.00 0.37 N ATOM 2066 CA VAL A 130 9.827 2.056 -9.814 1.00 0.35 C ATOM 2067 C VAL A 130 9.412 0.718 -9.199 1.00 0.38 C ATOM 2068 O VAL A 130 9.062 0.641 -8.020 1.00 0.57 O ATOM 2069 CB VAL A 130 10.756 2.825 -8.843 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.388 4.016 -9.545 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.007 3.283 -7.598 1.00 0.44 C ATOM 0 H VAL A 130 8.526 3.696 -9.643 1.00 0.37 H new ATOM 0 HA VAL A 130 10.388 1.868 -10.729 1.00 0.35 H new ATOM 0 HB VAL A 130 11.543 2.141 -8.527 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.038 4.546 -8.849 1.00 0.47 H new ATOM 0 HG12 VAL A 130 11.974 3.668 -10.396 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.606 4.689 -9.895 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.690 3.819 -6.939 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.189 3.943 -7.888 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.605 2.415 -7.075 1.00 0.44 H new ATOM 2081 N SER A 131 9.430 -0.326 -10.017 1.00 0.34 N ATOM 2082 CA SER A 131 9.052 -1.662 -9.577 1.00 0.40 C ATOM 2083 C SER A 131 9.880 -2.731 -10.294 1.00 0.39 C ATOM 2084 O SER A 131 10.606 -2.435 -11.246 1.00 0.47 O ATOM 2085 CB SER A 131 7.567 -1.901 -9.857 1.00 0.50 C ATOM 2086 OG SER A 131 6.741 -1.115 -9.020 1.00 0.88 O ATOM 0 H SER A 131 9.705 -0.272 -10.998 1.00 0.34 H new ATOM 0 HA SER A 131 9.243 -1.732 -8.506 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.352 -1.670 -10.900 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.335 -2.956 -9.710 1.00 0.50 H new ATOM 0 HG SER A 131 6.053 -1.682 -8.614 1.00 0.88 H new ATOM 2092 N SER A 132 9.773 -3.971 -9.829 1.00 0.48 N ATOM 2093 CA SER A 132 10.491 -5.082 -10.438 1.00 0.54 C ATOM 2094 C SER A 132 9.601 -5.796 -11.448 1.00 0.49 C ATOM 2095 O SER A 132 8.684 -6.530 -11.072 1.00 0.96 O ATOM 2096 CB SER A 132 10.969 -6.063 -9.368 1.00 0.76 C ATOM 2097 OG SER A 132 11.793 -5.422 -8.406 1.00 1.03 O ATOM 0 H SER A 132 9.194 -4.231 -9.030 1.00 0.48 H new ATOM 0 HA SER A 132 11.363 -4.685 -10.958 1.00 0.54 H new ATOM 0 HB2 SER A 132 10.108 -6.509 -8.871 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.522 -6.876 -9.839 1.00 0.76 H new ATOM 0 HG SER A 132 11.510 -4.489 -8.303 1.00 1.03 H new ATOM 2103 N ASP A 133 9.859 -5.554 -12.725 1.00 0.56 N ATOM 2104 CA ASP A 133 9.082 -6.172 -13.794 1.00 0.58 C ATOM 2105 C ASP A 133 9.420 -7.655 -13.913 1.00 0.63 C ATOM 2106 O ASP A 133 10.622 -7.998 -13.854 1.00 0.80 O ATOM 2107 CB ASP A 133 9.338 -5.470 -15.131 1.00 0.80 C ATOM 2108 CG ASP A 133 8.564 -6.104 -16.269 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.376 -5.764 -16.449 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.139 -6.940 -16.990 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.486 -8.471 -14.059 1.00 0.75 O ATOM 0 H ASP A 133 10.601 -4.933 -13.048 1.00 0.56 H new ATOM 0 HA ASP A 133 8.026 -6.069 -13.544 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.061 -4.419 -15.046 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.404 -5.501 -15.357 1.00 0.80 H new