USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot 180:sc= 0.014 USER MOD Set 1.2: B 33 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.626 K(o=0.63,f=0.037) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -40:sc= 0.277 USER MOD Set 3.2: A 51 THR OG1 : rot 58:sc= 1.06 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.87 (180deg=0.869) USER MOD Single : A 2 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0.906 (180deg=0.784) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 56:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.434) USER MOD Single : A 32 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.085) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.328 K(o=0.33,f=-0.19) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0.859 (180deg=0.299) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 175:sc=-0.00302 (180deg=-0.0498) USER MOD Single : B 1 MET N :NH3+ 179:sc= 0.913 (180deg=0.911) USER MOD Single : B 2 GLN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 175:sc= 0.966 (180deg=0.947) USER MOD Single : B 10 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.945) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : B 17 THR OG1 : rot 63:sc= 0.315 USER MOD Single : B 18 THR OG1 : rot 84:sc= 1.23 USER MOD Single : B 25 THR OG1 : rot -150:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 156:sc= 1.21 (180deg=1.06) USER MOD Single : B 32 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : B 35 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3) USER MOD Single : B 37 ASN : amide:sc= -0.621 K(o=-0.62,f=-5.6!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -154:sc= 1.22 USER MOD Single : B 49 THR OG1 : rot -45:sc= 0.952 USER MOD Single : B 50 LYS NZ :NH3+ -160:sc= 0.716 (180deg=0.557) USER MOD Single : B 51 THR OG1 : rot 60:sc= 1.01 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.087 9.642 -16.500 1.00 0.00 N ATOM 2 CA MET A 1 -5.088 8.564 -16.310 1.00 0.00 C ATOM 3 C MET A 1 -4.867 7.881 -14.964 1.00 0.00 C ATOM 4 O MET A 1 -3.724 7.630 -14.583 1.00 0.00 O ATOM 5 CB MET A 1 -5.056 7.555 -17.474 1.00 0.00 C ATOM 6 CG MET A 1 -6.153 6.486 -17.372 1.00 0.00 C ATOM 7 SD MET A 1 -7.838 7.151 -17.209 1.00 0.00 S ATOM 8 CE MET A 1 -8.761 5.612 -16.967 1.00 0.00 C ATOM 0 H1 MET A 1 -4.233 10.092 -17.426 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.196 10.353 -15.749 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.130 9.238 -16.458 1.00 0.00 H new ATOM 0 HA MET A 1 -6.083 9.009 -16.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.166 8.092 -18.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.082 7.067 -17.498 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.110 5.853 -18.258 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.943 5.848 -16.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.821 5.838 -16.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.622 4.965 -17.833 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.396 5.106 -16.073 1.00 0.00 H new ATOM 20 N GLN A 2 -5.949 7.578 -14.240 1.00 0.00 N ATOM 21 CA GLN A 2 -5.912 6.801 -12.989 1.00 0.00 C ATOM 22 C GLN A 2 -5.647 5.301 -13.255 1.00 0.00 C ATOM 23 O GLN A 2 -6.270 4.701 -14.134 1.00 0.00 O ATOM 24 CB GLN A 2 -7.248 6.965 -12.236 1.00 0.00 C ATOM 25 CG GLN A 2 -7.145 6.629 -10.739 1.00 0.00 C ATOM 26 CD GLN A 2 -6.819 7.850 -9.906 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.699 8.577 -9.463 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.554 8.111 -9.665 1.00 0.00 N ATOM 0 H GLN A 2 -6.890 7.868 -14.507 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.092 7.184 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.597 7.991 -12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.998 6.321 -12.695 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.087 6.198 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.375 5.872 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.827 7.500 -10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.299 8.924 -9.105 1.00 0.00 H new ATOM 37 N TYR A 3 -4.745 4.697 -12.482 1.00 0.00 N ATOM 38 CA TYR A 3 -4.482 3.250 -12.412 1.00 0.00 C ATOM 39 C TYR A 3 -4.604 2.730 -10.966 1.00 0.00 C ATOM 40 O TYR A 3 -4.436 3.503 -10.019 1.00 0.00 O ATOM 41 CB TYR A 3 -3.093 2.950 -12.992 1.00 0.00 C ATOM 42 CG TYR A 3 -2.924 3.327 -14.455 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.539 4.635 -14.808 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.147 2.371 -15.465 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.402 4.995 -16.160 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.005 2.734 -16.819 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.648 4.047 -17.164 1.00 0.00 C ATOM 48 OH TYR A 3 -2.552 4.396 -18.476 1.00 0.00 O ATOM 0 H TYR A 3 -4.143 5.227 -11.852 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.232 2.728 -13.006 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.345 3.483 -12.404 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.888 1.885 -12.879 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.348 5.365 -14.036 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.426 1.361 -15.202 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.108 6.000 -16.425 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.171 2.000 -17.594 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.754 3.618 -19.037 1.00 0.00 H new ATOM 58 N LYS A 4 -4.838 1.430 -10.772 1.00 0.00 N ATOM 59 CA LYS A 4 -5.099 0.809 -9.458 1.00 0.00 C ATOM 60 C LYS A 4 -4.299 -0.498 -9.240 1.00 0.00 C ATOM 61 O LYS A 4 -3.966 -1.184 -10.202 1.00 0.00 O ATOM 62 CB LYS A 4 -6.620 0.579 -9.365 1.00 0.00 C ATOM 63 CG LYS A 4 -7.093 0.059 -8.000 1.00 0.00 C ATOM 64 CD LYS A 4 -8.605 -0.189 -7.968 1.00 0.00 C ATOM 65 CE LYS A 4 -8.949 -0.760 -6.590 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.364 -1.154 -6.474 1.00 0.00 N ATOM 0 H LYS A 4 -4.853 0.758 -11.539 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.760 1.472 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.132 1.516 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.917 -0.132 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.569 -0.868 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.828 0.780 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.149 0.739 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.896 -0.885 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.318 -1.626 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.719 -0.017 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.498 -1.714 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.959 -0.302 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.635 -1.724 -7.301 1.00 0.00 H new ATOM 80 N LEU A 5 -4.031 -0.874 -7.986 1.00 0.00 N ATOM 81 CA LEU A 5 -3.240 -2.036 -7.549 1.00 0.00 C ATOM 82 C LEU A 5 -3.960 -2.788 -6.409 1.00 0.00 C ATOM 83 O LEU A 5 -4.297 -2.189 -5.387 1.00 0.00 O ATOM 84 CB LEU A 5 -1.877 -1.488 -7.079 1.00 0.00 C ATOM 85 CG LEU A 5 -0.688 -2.434 -6.834 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.883 -3.425 -5.688 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.299 -3.203 -8.092 1.00 0.00 C ATOM 0 H LEU A 5 -4.384 -0.340 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.109 -2.751 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.555 -0.754 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.053 -0.948 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 5 0.118 -1.761 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.006 -4.049 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.046 -2.879 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.748 -4.055 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.544 -3.858 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.145 -3.802 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.017 -2.500 -8.876 1.00 0.00 H new ATOM 99 N ILE A 6 -4.171 -4.097 -6.558 1.00 0.00 N ATOM 100 CA ILE A 6 -4.734 -4.988 -5.526 1.00 0.00 C ATOM 101 C ILE A 6 -3.614 -5.848 -4.928 1.00 0.00 C ATOM 102 O ILE A 6 -2.921 -6.561 -5.656 1.00 0.00 O ATOM 103 CB ILE A 6 -5.849 -5.884 -6.116 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.941 -5.016 -6.782 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.431 -6.805 -5.019 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.056 -5.813 -7.467 1.00 0.00 C ATOM 0 H ILE A 6 -3.950 -4.587 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.179 -4.378 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.424 -6.523 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.386 -4.370 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.471 -4.366 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.215 -7.430 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.640 -7.438 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.850 -6.196 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.778 -5.125 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.628 -6.439 -8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.557 -6.443 -6.732 1.00 0.00 H new ATOM 118 N LEU A 7 -3.452 -5.803 -3.606 1.00 0.00 N ATOM 119 CA LEU A 7 -2.389 -6.484 -2.870 1.00 0.00 C ATOM 120 C LEU A 7 -2.936 -7.682 -2.069 1.00 0.00 C ATOM 121 O LEU A 7 -3.755 -7.532 -1.157 1.00 0.00 O ATOM 122 CB LEU A 7 -1.650 -5.456 -1.995 1.00 0.00 C ATOM 123 CG LEU A 7 -0.418 -6.025 -1.265 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.667 -6.526 -2.220 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.196 -4.939 -0.387 1.00 0.00 C ATOM 0 H LEU A 7 -4.078 -5.274 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.669 -6.910 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.335 -4.621 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.345 -5.056 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.769 -6.873 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.507 -6.914 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.261 -7.318 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.007 -5.703 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.068 -5.339 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.498 -4.096 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.539 -4.605 0.345 1.00 0.00 H new ATOM 137 N ASN A 8 -2.416 -8.857 -2.413 1.00 0.00 N ATOM 138 CA ASN A 8 -2.637 -10.111 -1.704 1.00 0.00 C ATOM 139 C ASN A 8 -1.296 -10.676 -1.199 1.00 0.00 C ATOM 140 O ASN A 8 -0.341 -10.846 -1.961 1.00 0.00 O ATOM 141 CB ASN A 8 -3.399 -11.118 -2.579 1.00 0.00 C ATOM 142 CG ASN A 8 -4.530 -10.544 -3.411 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.698 -10.566 -3.037 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.194 -10.064 -4.585 1.00 0.00 N ATOM 0 H ASN A 8 -1.807 -8.964 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.265 -9.918 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.688 -11.600 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.806 -11.897 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.912 -9.698 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.215 -10.057 -4.872 1.00 0.00 H new ATOM 151 N GLY A 9 -1.232 -10.954 0.099 1.00 0.00 N ATOM 152 CA GLY A 9 -0.026 -11.417 0.791 1.00 0.00 C ATOM 153 C GLY A 9 -0.250 -11.873 2.234 1.00 0.00 C ATOM 154 O GLY A 9 -1.356 -11.799 2.774 1.00 0.00 O ATOM 0 H GLY A 9 -2.037 -10.862 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.405 -12.244 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.709 -10.612 0.789 1.00 0.00 H new ATOM 158 N LYS A 10 0.806 -12.400 2.845 1.00 0.00 N ATOM 159 CA LYS A 10 0.779 -13.069 4.152 1.00 0.00 C ATOM 160 C LYS A 10 1.044 -12.103 5.330 1.00 0.00 C ATOM 161 O LYS A 10 0.506 -12.284 6.425 1.00 0.00 O ATOM 162 CB LYS A 10 1.830 -14.193 4.132 1.00 0.00 C ATOM 163 CG LYS A 10 1.701 -15.216 2.980 1.00 0.00 C ATOM 164 CD LYS A 10 0.472 -16.138 3.064 1.00 0.00 C ATOM 165 CE LYS A 10 -0.749 -15.550 2.346 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.873 -16.508 2.313 1.00 0.00 N ATOM 0 H LYS A 10 1.739 -12.375 2.434 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.221 -13.470 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.819 -13.738 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.776 -14.731 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.666 -14.674 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.599 -15.833 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.716 -17.106 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.225 -16.315 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.063 -14.636 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.475 -15.274 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.682 -16.078 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.580 -17.370 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.150 -16.752 3.285 1.00 0.00 H new ATOM 180 N THR A 11 1.830 -11.048 5.098 1.00 0.00 N ATOM 181 CA THR A 11 2.170 -9.980 6.068 1.00 0.00 C ATOM 182 C THR A 11 1.344 -8.693 5.898 1.00 0.00 C ATOM 183 O THR A 11 1.222 -7.890 6.829 1.00 0.00 O ATOM 184 CB THR A 11 3.639 -9.555 5.888 1.00 0.00 C ATOM 185 OG1 THR A 11 3.944 -9.349 4.523 1.00 0.00 O ATOM 186 CG2 THR A 11 4.618 -10.592 6.436 1.00 0.00 C ATOM 0 H THR A 11 2.271 -10.900 4.190 1.00 0.00 H new ATOM 0 HA THR A 11 1.962 -10.415 7.046 1.00 0.00 H new ATOM 0 HB THR A 11 3.751 -8.628 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.882 -9.078 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.640 -10.244 6.284 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.438 -10.735 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.476 -11.538 5.914 1.00 0.00 H new ATOM 194 N LEU A 12 0.773 -8.495 4.708 1.00 0.00 N ATOM 195 CA LEU A 12 0.005 -7.310 4.318 1.00 0.00 C ATOM 196 C LEU A 12 -1.058 -7.645 3.250 1.00 0.00 C ATOM 197 O LEU A 12 -0.795 -8.423 2.330 1.00 0.00 O ATOM 198 CB LEU A 12 0.999 -6.235 3.822 1.00 0.00 C ATOM 199 CG LEU A 12 0.449 -4.797 3.871 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.350 -4.276 5.304 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.373 -3.837 3.128 1.00 0.00 C ATOM 0 H LEU A 12 0.836 -9.184 3.959 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.546 -6.929 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.904 -6.287 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.287 -6.467 2.797 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.538 -4.837 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.042 -3.259 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.318 -4.917 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.339 -4.279 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.964 -2.828 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.360 -3.851 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.456 -4.145 2.086 1.00 0.00 H new ATOM 213 N LYS A 13 -2.240 -7.034 3.349 1.00 0.00 N ATOM 214 CA LYS A 13 -3.341 -7.141 2.372 1.00 0.00 C ATOM 215 C LYS A 13 -4.022 -5.773 2.185 1.00 0.00 C ATOM 216 O LYS A 13 -4.274 -5.076 3.172 1.00 0.00 O ATOM 217 CB LYS A 13 -4.384 -8.163 2.858 1.00 0.00 C ATOM 218 CG LYS A 13 -3.852 -9.602 2.958 1.00 0.00 C ATOM 219 CD LYS A 13 -4.969 -10.566 3.382 1.00 0.00 C ATOM 220 CE LYS A 13 -4.427 -11.993 3.513 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.479 -12.943 3.928 1.00 0.00 N ATOM 0 H LYS A 13 -2.472 -6.429 4.137 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.925 -7.471 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.752 -7.854 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.236 -8.148 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.444 -9.912 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.036 -9.644 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.394 -10.244 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.775 -10.543 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.006 -12.311 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.616 -12.008 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.074 -13.898 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.864 -12.654 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.242 -12.947 3.221 1.00 0.00 H new ATOM 235 N GLY A 14 -4.326 -5.359 0.952 1.00 0.00 N ATOM 236 CA GLY A 14 -4.824 -3.999 0.688 1.00 0.00 C ATOM 237 C GLY A 14 -5.108 -3.642 -0.775 1.00 0.00 C ATOM 238 O GLY A 14 -5.078 -4.496 -1.664 1.00 0.00 O ATOM 0 H GLY A 14 -4.238 -5.942 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.742 -3.856 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.095 -3.288 1.076 1.00 0.00 H new ATOM 242 N GLU A 15 -5.377 -2.356 -1.016 1.00 0.00 N ATOM 243 CA GLU A 15 -5.665 -1.746 -2.333 1.00 0.00 C ATOM 244 C GLU A 15 -5.104 -0.325 -2.426 1.00 0.00 C ATOM 245 O GLU A 15 -5.301 0.484 -1.518 1.00 0.00 O ATOM 246 CB GLU A 15 -7.178 -1.658 -2.596 1.00 0.00 C ATOM 247 CG GLU A 15 -7.857 -3.016 -2.767 1.00 0.00 C ATOM 248 CD GLU A 15 -9.355 -2.824 -2.949 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.787 -2.548 -4.091 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.098 -2.955 -1.952 1.00 0.00 O ATOM 0 H GLU A 15 -5.403 -1.669 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.190 -2.390 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.650 -1.128 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.347 -1.063 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.440 -3.535 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.665 -3.641 -1.895 1.00 0.00 H new ATOM 257 N THR A 16 -4.425 -0.019 -3.527 1.00 0.00 N ATOM 258 CA THR A 16 -3.792 1.293 -3.774 1.00 0.00 C ATOM 259 C THR A 16 -4.054 1.841 -5.186 1.00 0.00 C ATOM 260 O THR A 16 -4.510 1.127 -6.080 1.00 0.00 O ATOM 261 CB THR A 16 -2.277 1.301 -3.458 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.498 0.820 -4.523 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.871 0.484 -2.230 1.00 0.00 C ATOM 0 H THR A 16 -4.291 -0.680 -4.292 1.00 0.00 H new ATOM 0 HA THR A 16 -4.280 1.969 -3.071 1.00 0.00 H new ATOM 0 HB THR A 16 -2.087 2.357 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.551 0.847 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.792 0.550 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.377 0.877 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.155 -0.558 -2.376 1.00 0.00 H new ATOM 271 N THR A 17 -3.842 3.140 -5.387 1.00 0.00 N ATOM 272 CA THR A 17 -4.222 3.877 -6.606 1.00 0.00 C ATOM 273 C THR A 17 -3.216 4.994 -6.920 1.00 0.00 C ATOM 274 O THR A 17 -2.706 5.651 -6.008 1.00 0.00 O ATOM 275 CB THR A 17 -5.632 4.506 -6.459 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.513 3.711 -5.687 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.329 4.727 -7.797 1.00 0.00 C ATOM 0 H THR A 17 -3.389 3.732 -4.691 1.00 0.00 H new ATOM 0 HA THR A 17 -4.226 3.156 -7.423 1.00 0.00 H new ATOM 0 HB THR A 17 -5.435 5.457 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.385 4.154 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.311 5.169 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.730 5.398 -8.413 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.445 3.772 -8.309 1.00 0.00 H new ATOM 285 N THR A 18 -2.934 5.244 -8.200 1.00 0.00 N ATOM 286 CA THR A 18 -1.991 6.273 -8.684 1.00 0.00 C ATOM 287 C THR A 18 -2.501 6.898 -9.995 1.00 0.00 C ATOM 288 O THR A 18 -3.409 6.361 -10.632 1.00 0.00 O ATOM 289 CB THR A 18 -0.592 5.647 -8.914 1.00 0.00 C ATOM 290 OG1 THR A 18 0.409 6.625 -9.078 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.510 4.745 -10.153 1.00 0.00 C ATOM 0 H THR A 18 -3.368 4.721 -8.961 1.00 0.00 H new ATOM 0 HA THR A 18 -1.916 7.054 -7.928 1.00 0.00 H new ATOM 0 HB THR A 18 -0.431 5.054 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.409 7.226 -8.304 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.500 4.345 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.218 3.923 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.753 5.326 -11.043 1.00 0.00 H new ATOM 299 N GLU A 19 -1.932 8.028 -10.415 1.00 0.00 N ATOM 300 CA GLU A 19 -2.146 8.648 -11.741 1.00 0.00 C ATOM 301 C GLU A 19 -0.823 8.796 -12.480 1.00 0.00 C ATOM 302 O GLU A 19 0.134 9.374 -11.964 1.00 0.00 O ATOM 303 CB GLU A 19 -2.914 9.976 -11.647 1.00 0.00 C ATOM 304 CG GLU A 19 -2.964 10.714 -12.990 1.00 0.00 C ATOM 305 CD GLU A 19 -4.257 11.490 -13.175 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.562 12.372 -12.343 1.00 0.00 O ATOM 307 OE2 GLU A 19 -4.939 11.222 -14.191 1.00 0.00 O ATOM 0 H GLU A 19 -1.288 8.561 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.780 7.979 -12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.930 9.782 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.441 10.615 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.119 11.399 -13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.856 9.994 -13.801 1.00 0.00 H new ATOM 314 N ALA A 20 -0.774 8.225 -13.682 1.00 0.00 N ATOM 315 CA ALA A 20 0.402 8.100 -14.517 1.00 0.00 C ATOM 316 C ALA A 20 0.086 8.439 -15.982 1.00 0.00 C ATOM 317 O ALA A 20 -1.077 8.480 -16.404 1.00 0.00 O ATOM 318 CB ALA A 20 0.898 6.663 -14.376 1.00 0.00 C ATOM 0 H ALA A 20 -1.602 7.818 -14.116 1.00 0.00 H new ATOM 0 HA ALA A 20 1.172 8.804 -14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.787 6.523 -14.991 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.143 6.463 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.118 5.975 -14.703 1.00 0.00 H new ATOM 324 N VAL A 21 1.143 8.657 -16.761 1.00 0.00 N ATOM 325 CA VAL A 21 1.016 8.904 -18.211 1.00 0.00 C ATOM 326 C VAL A 21 0.570 7.638 -18.957 1.00 0.00 C ATOM 327 O VAL A 21 -0.300 7.718 -19.829 1.00 0.00 O ATOM 328 CB VAL A 21 2.289 9.536 -18.797 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.528 8.696 -18.498 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.189 9.804 -20.303 1.00 0.00 C ATOM 0 H VAL A 21 2.104 8.669 -16.419 1.00 0.00 H new ATOM 0 HA VAL A 21 0.225 9.640 -18.357 1.00 0.00 H new ATOM 0 HB VAL A 21 2.389 10.501 -18.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.406 9.177 -18.929 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.656 8.607 -17.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.408 7.703 -18.932 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.119 10.250 -20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.015 8.865 -20.829 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.362 10.487 -20.497 1.00 0.00 H new ATOM 340 N ASP A 22 1.066 6.453 -18.572 1.00 0.00 N ATOM 341 CA ASP A 22 0.732 5.150 -19.161 1.00 0.00 C ATOM 342 C ASP A 22 0.895 4.003 -18.142 1.00 0.00 C ATOM 343 O ASP A 22 1.460 4.172 -17.058 1.00 0.00 O ATOM 344 CB ASP A 22 1.639 4.912 -20.395 1.00 0.00 C ATOM 345 CG ASP A 22 3.162 5.053 -20.154 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.646 4.767 -19.032 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.878 5.456 -21.101 1.00 0.00 O ATOM 0 H ASP A 22 1.739 6.374 -17.810 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.315 5.161 -19.464 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.443 3.910 -20.778 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.348 5.614 -21.176 1.00 0.00 H new ATOM 352 N ALA A 23 0.398 2.827 -18.519 1.00 0.00 N ATOM 353 CA ALA A 23 0.442 1.605 -17.715 1.00 0.00 C ATOM 354 C ALA A 23 1.864 1.213 -17.260 1.00 0.00 C ATOM 355 O ALA A 23 2.017 0.629 -16.193 1.00 0.00 O ATOM 356 CB ALA A 23 -0.213 0.468 -18.508 1.00 0.00 C ATOM 0 H ALA A 23 -0.061 2.693 -19.420 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.111 1.796 -16.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.186 -0.449 -17.919 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.248 0.728 -18.729 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.329 0.316 -19.441 1.00 0.00 H new ATOM 362 N ALA A 24 2.906 1.560 -18.019 1.00 0.00 N ATOM 363 CA ALA A 24 4.292 1.269 -17.694 1.00 0.00 C ATOM 364 C ALA A 24 4.829 2.222 -16.615 1.00 0.00 C ATOM 365 O ALA A 24 5.572 1.802 -15.731 1.00 0.00 O ATOM 366 CB ALA A 24 5.148 1.322 -18.962 1.00 0.00 C ATOM 0 H ALA A 24 2.799 2.065 -18.899 1.00 0.00 H new ATOM 0 HA ALA A 24 4.345 0.261 -17.282 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.186 1.103 -18.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.785 0.584 -19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.084 2.317 -19.403 1.00 0.00 H new ATOM 372 N THR A 25 4.415 3.491 -16.611 1.00 0.00 N ATOM 373 CA THR A 25 4.682 4.443 -15.523 1.00 0.00 C ATOM 374 C THR A 25 3.900 4.083 -14.249 1.00 0.00 C ATOM 375 O THR A 25 4.483 4.040 -13.166 1.00 0.00 O ATOM 376 CB THR A 25 4.357 5.868 -15.983 1.00 0.00 C ATOM 377 OG1 THR A 25 5.020 6.162 -17.194 1.00 0.00 O ATOM 378 CG2 THR A 25 4.769 6.932 -14.962 1.00 0.00 C ATOM 0 H THR A 25 3.875 3.896 -17.376 1.00 0.00 H new ATOM 0 HA THR A 25 5.742 4.386 -15.274 1.00 0.00 H new ATOM 0 HB THR A 25 3.275 5.898 -16.107 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.526 5.766 -17.942 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.514 7.921 -15.344 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.243 6.758 -14.023 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.844 6.876 -14.791 1.00 0.00 H new ATOM 386 N ALA A 26 2.616 3.719 -14.345 1.00 0.00 N ATOM 387 CA ALA A 26 1.868 3.195 -13.191 1.00 0.00 C ATOM 388 C ALA A 26 2.464 1.880 -12.634 1.00 0.00 C ATOM 389 O ALA A 26 2.582 1.728 -11.418 1.00 0.00 O ATOM 390 CB ALA A 26 0.398 3.025 -13.567 1.00 0.00 C ATOM 0 H ALA A 26 2.073 3.777 -15.206 1.00 0.00 H new ATOM 0 HA ALA A 26 1.951 3.923 -12.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.154 2.637 -12.711 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.017 3.990 -13.859 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.314 2.327 -14.400 1.00 0.00 H new ATOM 396 N GLU A 27 2.942 0.998 -13.525 1.00 0.00 N ATOM 397 CA GLU A 27 3.735 -0.195 -13.140 1.00 0.00 C ATOM 398 C GLU A 27 5.007 0.219 -12.427 1.00 0.00 C ATOM 399 O GLU A 27 5.348 -0.377 -11.409 1.00 0.00 O ATOM 400 CB GLU A 27 4.189 -1.086 -14.309 1.00 0.00 C ATOM 401 CG GLU A 27 3.186 -2.161 -14.696 1.00 0.00 C ATOM 402 CD GLU A 27 3.817 -3.115 -15.700 1.00 0.00 C ATOM 403 OE1 GLU A 27 4.716 -3.885 -15.295 1.00 0.00 O ATOM 404 OE2 GLU A 27 3.413 -3.099 -16.885 1.00 0.00 O ATOM 0 H GLU A 27 2.794 1.085 -14.531 1.00 0.00 H new ATOM 0 HA GLU A 27 3.050 -0.764 -12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.384 -0.456 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.132 -1.563 -14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.867 -2.710 -13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.295 -1.703 -15.126 1.00 0.00 H new ATOM 411 N LYS A 28 5.705 1.243 -12.920 1.00 0.00 N ATOM 412 CA LYS A 28 6.940 1.719 -12.281 1.00 0.00 C ATOM 413 C LYS A 28 6.675 2.245 -10.855 1.00 0.00 C ATOM 414 O LYS A 28 7.340 1.811 -9.911 1.00 0.00 O ATOM 415 CB LYS A 28 7.586 2.778 -13.197 1.00 0.00 C ATOM 416 CG LYS A 28 8.864 3.429 -12.647 1.00 0.00 C ATOM 417 CD LYS A 28 9.406 4.433 -13.681 1.00 0.00 C ATOM 418 CE LYS A 28 10.676 5.158 -13.217 1.00 0.00 C ATOM 419 NZ LYS A 28 10.409 6.166 -12.168 1.00 0.00 N ATOM 0 H LYS A 28 5.440 1.760 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 28 7.638 0.891 -12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.818 2.313 -14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.854 3.561 -13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.652 3.937 -11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.613 2.666 -12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.616 3.907 -14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.634 5.171 -13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.389 4.426 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.144 5.645 -14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.301 6.625 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.750 6.882 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.988 5.701 -11.339 1.00 0.00 H new ATOM 433 N VAL A 29 5.681 3.123 -10.662 1.00 0.00 N ATOM 434 CA VAL A 29 5.300 3.635 -9.325 1.00 0.00 C ATOM 435 C VAL A 29 4.884 2.497 -8.378 1.00 0.00 C ATOM 436 O VAL A 29 5.431 2.365 -7.283 1.00 0.00 O ATOM 437 CB VAL A 29 4.179 4.693 -9.438 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.708 5.197 -8.068 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.659 5.924 -10.220 1.00 0.00 C ATOM 0 H VAL A 29 5.116 3.502 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 29 6.181 4.113 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 29 3.358 4.192 -9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.920 5.938 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.322 4.360 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.546 5.651 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.850 6.652 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.510 6.371 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.957 5.623 -11.224 1.00 0.00 H new ATOM 449 N PHE A 30 3.964 1.634 -8.812 1.00 0.00 N ATOM 450 CA PHE A 30 3.487 0.518 -7.986 1.00 0.00 C ATOM 451 C PHE A 30 4.593 -0.481 -7.610 1.00 0.00 C ATOM 452 O PHE A 30 4.640 -0.962 -6.475 1.00 0.00 O ATOM 453 CB PHE A 30 2.352 -0.243 -8.681 1.00 0.00 C ATOM 454 CG PHE A 30 1.022 0.484 -8.784 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.472 1.130 -7.658 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.303 0.473 -9.995 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.771 1.780 -7.746 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.950 1.105 -10.078 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.488 1.753 -8.952 1.00 0.00 C ATOM 0 H PHE A 30 3.531 1.685 -9.734 1.00 0.00 H new ATOM 0 HA PHE A 30 3.125 0.978 -7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.680 -0.502 -9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.190 -1.179 -8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.010 1.125 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.715 -0.022 -10.862 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.173 2.299 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.500 1.093 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.455 2.231 -9.015 1.00 0.00 H new ATOM 469 N LYS A 31 5.516 -0.759 -8.533 1.00 0.00 N ATOM 470 CA LYS A 31 6.687 -1.584 -8.239 1.00 0.00 C ATOM 471 C LYS A 31 7.659 -0.888 -7.272 1.00 0.00 C ATOM 472 O LYS A 31 8.291 -1.561 -6.460 1.00 0.00 O ATOM 473 CB LYS A 31 7.377 -2.030 -9.539 1.00 0.00 C ATOM 474 CG LYS A 31 6.532 -3.123 -10.217 1.00 0.00 C ATOM 475 CD LYS A 31 7.030 -3.521 -11.609 1.00 0.00 C ATOM 476 CE LYS A 31 6.198 -4.718 -12.090 1.00 0.00 C ATOM 477 NZ LYS A 31 6.505 -5.094 -13.482 1.00 0.00 N ATOM 0 H LYS A 31 5.473 -0.422 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 31 6.342 -2.480 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.498 -1.180 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.376 -2.409 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.521 -4.007 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.502 -2.775 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.930 -2.686 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.088 -3.782 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.383 -5.571 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.138 -4.477 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.306 -6.105 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.917 -4.533 -14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.509 -4.909 -13.678 1.00 0.00 H new ATOM 491 N GLN A 32 7.754 0.445 -7.245 1.00 0.00 N ATOM 492 CA GLN A 32 8.593 1.155 -6.263 1.00 0.00 C ATOM 493 C GLN A 32 8.109 0.938 -4.811 1.00 0.00 C ATOM 494 O GLN A 32 8.916 0.775 -3.895 1.00 0.00 O ATOM 495 CB GLN A 32 8.610 2.652 -6.637 1.00 0.00 C ATOM 496 CG GLN A 32 9.774 3.457 -6.046 1.00 0.00 C ATOM 497 CD GLN A 32 11.128 2.982 -6.530 1.00 0.00 C ATOM 498 OE1 GLN A 32 11.886 2.355 -5.802 1.00 0.00 O ATOM 499 NE2 GLN A 32 11.477 3.264 -7.768 1.00 0.00 N ATOM 0 H GLN A 32 7.260 1.059 -7.892 1.00 0.00 H new ATOM 0 HA GLN A 32 9.605 0.751 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.643 2.739 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.673 3.103 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.650 4.508 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.739 3.391 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.841 3.787 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.383 2.960 -8.124 1.00 0.00 H new ATOM 508 N TYR A 33 6.787 0.890 -4.607 1.00 0.00 N ATOM 509 CA TYR A 33 6.143 0.673 -3.298 1.00 0.00 C ATOM 510 C TYR A 33 5.931 -0.825 -2.917 1.00 0.00 C ATOM 511 O TYR A 33 5.913 -1.152 -1.730 1.00 0.00 O ATOM 512 CB TYR A 33 4.780 1.403 -3.305 1.00 0.00 C ATOM 513 CG TYR A 33 4.780 2.923 -3.129 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.461 3.776 -4.023 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.032 3.498 -2.081 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.424 5.173 -3.849 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.993 4.895 -1.907 1.00 0.00 C ATOM 518 CZ TYR A 33 4.692 5.733 -2.790 1.00 0.00 C ATOM 519 OH TYR A 33 4.643 7.086 -2.637 1.00 0.00 O ATOM 0 H TYR A 33 6.115 1.004 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 33 6.820 1.071 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.284 1.176 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.167 0.975 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.016 3.354 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.483 2.860 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.960 5.815 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.425 5.322 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 33 4.093 7.307 -1.856 1.00 0.00 H new ATOM 529 N PHE A 34 5.801 -1.717 -3.912 1.00 0.00 N ATOM 530 CA PHE A 34 5.374 -3.125 -3.695 1.00 0.00 C ATOM 531 C PHE A 34 6.068 -4.269 -4.483 1.00 0.00 C ATOM 532 O PHE A 34 5.487 -5.349 -4.610 1.00 0.00 O ATOM 533 CB PHE A 34 3.842 -3.218 -3.855 1.00 0.00 C ATOM 534 CG PHE A 34 3.041 -2.283 -2.969 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.906 -2.559 -1.593 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.444 -1.131 -3.514 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.185 -1.681 -0.766 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.732 -0.250 -2.683 1.00 0.00 C ATOM 539 CZ PHE A 34 1.604 -0.523 -1.309 1.00 0.00 C ATOM 0 H PHE A 34 5.986 -1.492 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 34 5.721 -3.326 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.588 -3.013 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.533 -4.242 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.357 -3.446 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.533 -0.924 -4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.078 -1.896 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.282 0.639 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.059 0.158 -0.672 1.00 0.00 H new ATOM 549 N ASN A 35 7.298 -4.130 -4.986 1.00 0.00 N ATOM 550 CA ASN A 35 7.978 -5.210 -5.705 1.00 0.00 C ATOM 551 C ASN A 35 8.934 -6.061 -4.824 1.00 0.00 C ATOM 552 O ASN A 35 8.983 -7.280 -4.995 1.00 0.00 O ATOM 553 CB ASN A 35 8.693 -4.564 -6.892 1.00 0.00 C ATOM 554 CG ASN A 35 9.605 -5.523 -7.610 1.00 0.00 C ATOM 555 OD1 ASN A 35 9.185 -6.469 -8.263 1.00 0.00 O ATOM 556 ND2 ASN A 35 10.891 -5.293 -7.472 1.00 0.00 N ATOM 0 H ASN A 35 7.846 -3.273 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 35 7.241 -5.939 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.952 -4.180 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.273 -3.710 -6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.570 -5.911 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.210 -4.496 -6.921 1.00 0.00 H new ATOM 563 N ASP A 36 9.664 -5.452 -3.871 1.00 0.00 N ATOM 564 CA ASP A 36 10.764 -6.116 -3.123 1.00 0.00 C ATOM 565 C ASP A 36 10.912 -5.740 -1.633 1.00 0.00 C ATOM 566 O ASP A 36 11.881 -6.132 -0.984 1.00 0.00 O ATOM 567 CB ASP A 36 12.068 -5.849 -3.906 1.00 0.00 C ATOM 568 CG ASP A 36 13.293 -6.687 -3.471 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.216 -7.940 -3.493 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.353 -6.088 -3.163 1.00 0.00 O ATOM 0 H ASP A 36 9.512 -4.483 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 36 10.518 -7.176 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.880 -6.035 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.320 -4.793 -3.808 1.00 0.00 H new ATOM 575 N ASN A 37 9.948 -5.015 -1.058 1.00 0.00 N ATOM 576 CA ASN A 37 9.898 -4.789 0.405 1.00 0.00 C ATOM 577 C ASN A 37 9.657 -6.112 1.186 1.00 0.00 C ATOM 578 O ASN A 37 10.108 -6.290 2.317 1.00 0.00 O ATOM 579 CB ASN A 37 8.845 -3.706 0.701 1.00 0.00 C ATOM 580 CG ASN A 37 9.305 -2.341 0.203 1.00 0.00 C ATOM 581 OD1 ASN A 37 10.423 -1.905 0.456 1.00 0.00 O ATOM 582 ND2 ASN A 37 8.484 -1.628 -0.539 1.00 0.00 N ATOM 0 H ASN A 37 9.189 -4.572 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 37 10.865 -4.429 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.902 -3.972 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.657 -3.661 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.780 -0.720 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.552 -1.983 -0.754 1.00 0.00 H new ATOM 589 N GLY A 38 8.978 -7.047 0.522 1.00 0.00 N ATOM 590 CA GLY A 38 8.805 -8.447 0.957 1.00 0.00 C ATOM 591 C GLY A 38 7.892 -9.344 0.117 1.00 0.00 C ATOM 592 O GLY A 38 7.967 -10.569 0.231 1.00 0.00 O ATOM 0 H GLY A 38 8.514 -6.851 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.790 -8.911 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.420 -8.437 1.977 1.00 0.00 H new ATOM 596 N VAL A 39 7.030 -8.754 -0.716 1.00 0.00 N ATOM 597 CA VAL A 39 5.993 -9.480 -1.473 1.00 0.00 C ATOM 598 C VAL A 39 6.594 -10.473 -2.483 1.00 0.00 C ATOM 599 O VAL A 39 6.283 -11.663 -2.432 1.00 0.00 O ATOM 600 CB VAL A 39 5.033 -8.506 -2.194 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.779 -9.238 -2.685 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.559 -7.358 -1.286 1.00 0.00 C ATOM 0 H VAL A 39 7.028 -7.749 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 39 5.425 -10.053 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 39 5.605 -8.097 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.119 -8.532 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.067 -10.026 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.258 -9.678 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.888 -6.706 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.032 -7.769 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.421 -6.785 -0.944 1.00 0.00 H new ATOM 612 N ASP A 40 7.479 -10.006 -3.380 1.00 0.00 N ATOM 613 CA ASP A 40 8.094 -10.773 -4.493 1.00 0.00 C ATOM 614 C ASP A 40 7.126 -11.753 -5.209 1.00 0.00 C ATOM 615 O ASP A 40 7.483 -12.881 -5.559 1.00 0.00 O ATOM 616 CB ASP A 40 9.395 -11.438 -3.984 1.00 0.00 C ATOM 617 CG ASP A 40 10.285 -12.052 -5.091 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.466 -11.419 -6.161 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.848 -13.153 -4.869 1.00 0.00 O ATOM 0 H ASP A 40 7.805 -9.040 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 40 8.347 -10.072 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.977 -10.695 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.132 -12.221 -3.273 1.00 0.00 H new ATOM 624 N GLY A 41 5.867 -11.331 -5.374 1.00 0.00 N ATOM 625 CA GLY A 41 4.741 -12.164 -5.830 1.00 0.00 C ATOM 626 C GLY A 41 4.484 -12.137 -7.344 1.00 0.00 C ATOM 627 O GLY A 41 5.213 -11.497 -8.108 1.00 0.00 O ATOM 0 H GLY A 41 5.591 -10.367 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.925 -13.195 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.836 -11.837 -5.317 1.00 0.00 H new ATOM 631 N GLU A 42 3.429 -12.834 -7.783 1.00 0.00 N ATOM 632 CA GLU A 42 2.970 -12.882 -9.191 1.00 0.00 C ATOM 633 C GLU A 42 2.077 -11.693 -9.550 1.00 0.00 C ATOM 634 O GLU A 42 1.064 -11.455 -8.891 1.00 0.00 O ATOM 635 CB GLU A 42 2.192 -14.183 -9.451 1.00 0.00 C ATOM 636 CG GLU A 42 1.752 -14.385 -10.903 1.00 0.00 C ATOM 637 CD GLU A 42 2.947 -14.615 -11.821 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.497 -13.627 -12.356 1.00 0.00 O ATOM 639 OE2 GLU A 42 3.322 -15.793 -12.018 1.00 0.00 O ATOM 0 H GLU A 42 2.851 -13.397 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 42 3.862 -12.841 -9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.813 -15.028 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.309 -14.196 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.075 -15.237 -10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.195 -13.511 -11.241 1.00 0.00 H new ATOM 646 N TRP A 43 2.435 -10.966 -10.605 1.00 0.00 N ATOM 647 CA TRP A 43 1.688 -9.815 -11.133 1.00 0.00 C ATOM 648 C TRP A 43 0.682 -10.193 -12.247 1.00 0.00 C ATOM 649 O TRP A 43 0.925 -11.083 -13.069 1.00 0.00 O ATOM 650 CB TRP A 43 2.679 -8.741 -11.613 1.00 0.00 C ATOM 651 CG TRP A 43 3.455 -8.052 -10.522 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.372 -8.638 -9.719 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.387 -6.657 -10.079 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.840 -7.732 -8.792 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.261 -6.495 -8.959 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.675 -5.511 -10.502 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.401 -5.276 -8.280 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.823 -4.276 -9.838 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.676 -4.160 -8.724 1.00 0.00 C ATOM 0 H TRP A 43 3.282 -11.164 -11.138 1.00 0.00 H new ATOM 0 HA TRP A 43 1.081 -9.417 -10.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.385 -9.203 -12.303 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.129 -7.988 -12.177 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.691 -9.667 -9.793 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.529 -7.951 -8.072 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.007 -5.583 -11.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.058 -5.197 -7.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.277 -3.412 -10.187 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.772 -3.214 -8.212 1.00 0.00 H new ATOM 670 N THR A 44 -0.460 -9.503 -12.282 1.00 0.00 N ATOM 671 CA THR A 44 -1.501 -9.581 -13.333 1.00 0.00 C ATOM 672 C THR A 44 -2.036 -8.172 -13.657 1.00 0.00 C ATOM 673 O THR A 44 -1.965 -7.286 -12.799 1.00 0.00 O ATOM 674 CB THR A 44 -2.656 -10.508 -12.884 1.00 0.00 C ATOM 675 OG1 THR A 44 -2.173 -11.756 -12.419 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.675 -10.827 -13.981 1.00 0.00 C ATOM 0 H THR A 44 -0.705 -8.840 -11.547 1.00 0.00 H new ATOM 0 HA THR A 44 -1.055 -10.001 -14.235 1.00 0.00 H new ATOM 0 HB THR A 44 -3.146 -9.938 -12.095 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.928 -12.316 -12.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.449 -11.482 -13.580 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.130 -9.902 -14.335 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.173 -11.325 -14.810 1.00 0.00 H new ATOM 684 N TYR A 45 -2.594 -7.937 -14.852 1.00 0.00 N ATOM 685 CA TYR A 45 -3.202 -6.655 -15.253 1.00 0.00 C ATOM 686 C TYR A 45 -4.437 -6.828 -16.159 1.00 0.00 C ATOM 687 O TYR A 45 -4.422 -7.630 -17.098 1.00 0.00 O ATOM 688 CB TYR A 45 -2.151 -5.813 -15.994 1.00 0.00 C ATOM 689 CG TYR A 45 -2.642 -4.465 -16.502 1.00 0.00 C ATOM 690 CD1 TYR A 45 -3.087 -3.489 -15.591 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.634 -4.170 -17.881 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.495 -2.221 -16.043 1.00 0.00 C ATOM 693 CE2 TYR A 45 -3.041 -2.901 -18.333 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.462 -1.926 -17.413 1.00 0.00 C ATOM 695 OH TYR A 45 -3.815 -0.687 -17.849 1.00 0.00 O ATOM 0 H TYR A 45 -2.638 -8.646 -15.584 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.539 -6.160 -14.342 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.306 -5.646 -15.326 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.779 -6.389 -16.841 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.115 -3.716 -14.535 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.315 -4.919 -18.591 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.833 -1.477 -15.337 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.030 -2.676 -19.389 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.736 -0.649 -18.825 1.00 0.00 H new ATOM 705 N ASP A 46 -5.489 -6.046 -15.898 1.00 0.00 N ATOM 706 CA ASP A 46 -6.700 -5.892 -16.720 1.00 0.00 C ATOM 707 C ASP A 46 -6.860 -4.445 -17.209 1.00 0.00 C ATOM 708 O ASP A 46 -7.285 -3.568 -16.451 1.00 0.00 O ATOM 709 CB ASP A 46 -7.939 -6.364 -15.931 1.00 0.00 C ATOM 710 CG ASP A 46 -7.965 -7.885 -15.672 1.00 0.00 C ATOM 711 OD1 ASP A 46 -8.363 -8.644 -16.590 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.618 -8.319 -14.547 1.00 0.00 O ATOM 0 H ASP A 46 -5.523 -5.468 -15.058 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.601 -6.519 -17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.972 -5.841 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.838 -6.082 -16.480 1.00 0.00 H new ATOM 717 N ASP A 47 -6.542 -4.186 -18.485 1.00 0.00 N ATOM 718 CA ASP A 47 -6.696 -2.874 -19.147 1.00 0.00 C ATOM 719 C ASP A 47 -8.144 -2.362 -19.170 1.00 0.00 C ATOM 720 O ASP A 47 -8.386 -1.166 -19.010 1.00 0.00 O ATOM 721 CB ASP A 47 -6.157 -2.993 -20.587 1.00 0.00 C ATOM 722 CG ASP A 47 -6.366 -1.719 -21.434 1.00 0.00 C ATOM 723 OD1 ASP A 47 -5.633 -0.723 -21.229 1.00 0.00 O ATOM 724 OD2 ASP A 47 -7.277 -1.714 -22.296 1.00 0.00 O ATOM 0 H ASP A 47 -6.160 -4.900 -19.106 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.131 -2.144 -18.568 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.092 -3.223 -20.549 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.647 -3.832 -21.081 1.00 0.00 H new ATOM 729 N ALA A 48 -9.110 -3.271 -19.303 1.00 0.00 N ATOM 730 CA ALA A 48 -10.549 -2.963 -19.338 1.00 0.00 C ATOM 731 C ALA A 48 -11.064 -2.203 -18.092 1.00 0.00 C ATOM 732 O ALA A 48 -12.099 -1.534 -18.142 1.00 0.00 O ATOM 733 CB ALA A 48 -11.319 -4.275 -19.526 1.00 0.00 C ATOM 0 H ALA A 48 -8.914 -4.268 -19.392 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.718 -2.284 -20.174 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.389 -4.068 -19.555 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.015 -4.744 -20.462 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.101 -4.947 -18.696 1.00 0.00 H new ATOM 739 N THR A 49 -10.330 -2.301 -16.981 1.00 0.00 N ATOM 740 CA THR A 49 -10.590 -1.632 -15.696 1.00 0.00 C ATOM 741 C THR A 49 -9.353 -0.876 -15.147 1.00 0.00 C ATOM 742 O THR A 49 -9.317 -0.499 -13.974 1.00 0.00 O ATOM 743 CB THR A 49 -11.211 -2.652 -14.713 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.706 -2.072 -13.526 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.267 -3.802 -14.352 1.00 0.00 C ATOM 0 H THR A 49 -9.491 -2.880 -16.948 1.00 0.00 H new ATOM 0 HA THR A 49 -11.319 -0.835 -15.844 1.00 0.00 H new ATOM 0 HB THR A 49 -12.055 -3.056 -15.272 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.091 -1.372 -13.223 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.767 -4.479 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.993 -4.345 -15.256 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.368 -3.401 -13.883 1.00 0.00 H new ATOM 753 N LYS A 50 -8.298 -0.676 -15.960 1.00 0.00 N ATOM 754 CA LYS A 50 -7.008 -0.072 -15.579 1.00 0.00 C ATOM 755 C LYS A 50 -6.475 -0.508 -14.193 1.00 0.00 C ATOM 756 O LYS A 50 -6.026 0.312 -13.385 1.00 0.00 O ATOM 757 CB LYS A 50 -7.080 1.460 -15.757 1.00 0.00 C ATOM 758 CG LYS A 50 -7.482 1.923 -17.170 1.00 0.00 C ATOM 759 CD LYS A 50 -6.514 1.422 -18.252 1.00 0.00 C ATOM 760 CE LYS A 50 -6.799 1.999 -19.645 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.055 1.473 -20.219 1.00 0.00 N ATOM 0 H LYS A 50 -8.323 -0.943 -16.944 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.254 -0.465 -16.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.795 1.863 -15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.108 1.887 -15.512 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.487 1.566 -17.393 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.518 3.012 -17.195 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.495 1.679 -17.963 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.567 0.334 -18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.857 3.086 -19.582 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.970 1.762 -20.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.960 1.399 -21.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.251 0.532 -19.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.838 2.117 -19.988 1.00 0.00 H new ATOM 775 N THR A 51 -6.544 -1.813 -13.910 1.00 0.00 N ATOM 776 CA THR A 51 -6.216 -2.371 -12.581 1.00 0.00 C ATOM 777 C THR A 51 -5.198 -3.513 -12.660 1.00 0.00 C ATOM 778 O THR A 51 -5.309 -4.429 -13.478 1.00 0.00 O ATOM 779 CB THR A 51 -7.478 -2.822 -11.814 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.397 -1.760 -11.657 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.179 -3.326 -10.398 1.00 0.00 C ATOM 0 H THR A 51 -6.828 -2.517 -14.591 1.00 0.00 H new ATOM 0 HA THR A 51 -5.754 -1.557 -12.022 1.00 0.00 H new ATOM 0 HB THR A 51 -7.887 -3.629 -12.422 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.651 -1.414 -12.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.109 -3.627 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.504 -4.181 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.711 -2.530 -9.820 1.00 0.00 H new ATOM 789 N PHE A 52 -4.214 -3.451 -11.768 1.00 0.00 N ATOM 790 CA PHE A 52 -3.140 -4.406 -11.517 1.00 0.00 C ATOM 791 C PHE A 52 -3.478 -5.251 -10.277 1.00 0.00 C ATOM 792 O PHE A 52 -4.109 -4.768 -9.336 1.00 0.00 O ATOM 793 CB PHE A 52 -1.815 -3.662 -11.288 1.00 0.00 C ATOM 794 CG PHE A 52 -1.288 -2.912 -12.494 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.516 -3.590 -13.456 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.571 -1.542 -12.665 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.063 -2.909 -14.598 1.00 0.00 C ATOM 798 CE2 PHE A 52 -1.102 -0.857 -13.797 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.358 -1.544 -14.769 1.00 0.00 C ATOM 0 H PHE A 52 -4.142 -2.650 -11.140 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.036 -5.058 -12.384 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.949 -2.955 -10.469 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.062 -4.382 -10.968 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.272 -4.633 -13.316 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.152 -1.016 -11.921 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.513 -3.434 -15.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.313 0.195 -13.920 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.011 -1.024 -15.650 1.00 0.00 H new ATOM 809 N THR A 53 -3.078 -6.517 -10.273 1.00 0.00 N ATOM 810 CA THR A 53 -3.171 -7.402 -9.096 1.00 0.00 C ATOM 811 C THR A 53 -1.796 -8.002 -8.768 1.00 0.00 C ATOM 812 O THR A 53 -0.995 -8.255 -9.672 1.00 0.00 O ATOM 813 CB THR A 53 -4.222 -8.507 -9.327 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.469 -7.945 -9.679 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.475 -9.389 -8.099 1.00 0.00 C ATOM 0 H THR A 53 -2.674 -6.972 -11.091 1.00 0.00 H new ATOM 0 HA THR A 53 -3.494 -6.810 -8.240 1.00 0.00 H new ATOM 0 HB THR A 53 -3.805 -9.120 -10.126 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.122 -8.662 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.226 -10.142 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.547 -9.882 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.832 -8.771 -7.275 1.00 0.00 H new ATOM 823 N VAL A 54 -1.526 -8.215 -7.477 1.00 0.00 N ATOM 824 CA VAL A 54 -0.287 -8.812 -6.932 1.00 0.00 C ATOM 825 C VAL A 54 -0.636 -9.882 -5.894 1.00 0.00 C ATOM 826 O VAL A 54 -1.411 -9.618 -4.975 1.00 0.00 O ATOM 827 CB VAL A 54 0.647 -7.753 -6.306 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.996 -8.378 -5.916 1.00 0.00 C ATOM 829 CG2 VAL A 54 0.940 -6.609 -7.283 1.00 0.00 C ATOM 0 H VAL A 54 -2.190 -7.967 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 54 0.250 -9.267 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 54 0.130 -7.368 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.638 -7.614 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.832 -9.174 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.477 -8.789 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.600 -5.884 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.422 -7.007 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.006 -6.121 -7.562 1.00 0.00 H new ATOM 839 N THR A 55 -0.079 -11.082 -6.065 1.00 0.00 N ATOM 840 CA THR A 55 -0.346 -12.238 -5.179 1.00 0.00 C ATOM 841 C THR A 55 0.913 -13.016 -4.757 1.00 0.00 C ATOM 842 O THR A 55 1.556 -13.674 -5.583 1.00 0.00 O ATOM 843 CB THR A 55 -1.399 -13.174 -5.810 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.586 -12.473 -6.117 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.807 -14.337 -4.903 1.00 0.00 C ATOM 0 H THR A 55 0.573 -11.290 -6.821 1.00 0.00 H new ATOM 0 HA THR A 55 -0.745 -11.820 -4.255 1.00 0.00 H new ATOM 0 HB THR A 55 -0.914 -13.565 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.235 -13.089 -6.517 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.549 -14.952 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.931 -14.943 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.232 -13.946 -3.979 1.00 0.00 H new ATOM 853 N GLU A 56 1.243 -12.925 -3.458 1.00 0.00 N ATOM 854 CA GLU A 56 2.360 -13.633 -2.796 1.00 0.00 C ATOM 855 C GLU A 56 2.329 -15.154 -3.009 1.00 0.00 C ATOM 856 O GLU A 56 3.354 -15.703 -3.466 1.00 0.00 O ATOM 857 CB GLU A 56 2.399 -13.291 -1.300 1.00 0.00 C ATOM 858 CG GLU A 56 3.794 -13.511 -0.721 1.00 0.00 C ATOM 859 CD GLU A 56 3.842 -13.309 0.786 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.189 -12.371 1.295 1.00 0.00 O ATOM 861 OE2 GLU A 56 4.549 -14.096 1.455 1.00 0.00 O ATOM 862 OXT GLU A 56 1.288 -15.784 -2.718 1.00 0.00 O ATOM 0 H GLU A 56 0.720 -12.334 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 56 3.276 -13.281 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.101 -12.253 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.678 -13.908 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.127 -14.521 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.493 -12.825 -1.198 1.00 0.00 H new ATOM 870 N MET B 1 -4.293 -9.242 16.935 1.00 0.00 N ATOM 871 CA MET B 1 -5.312 -8.205 16.638 1.00 0.00 C ATOM 872 C MET B 1 -5.076 -7.631 15.245 1.00 0.00 C ATOM 873 O MET B 1 -3.932 -7.395 14.859 1.00 0.00 O ATOM 874 CB MET B 1 -5.329 -7.108 17.720 1.00 0.00 C ATOM 875 CG MET B 1 -6.430 -6.060 17.503 1.00 0.00 C ATOM 876 SD MET B 1 -8.103 -6.751 17.329 1.00 0.00 S ATOM 877 CE MET B 1 -9.041 -5.238 16.985 1.00 0.00 C ATOM 0 H1 MET B 1 -4.449 -9.618 17.892 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.372 -10.014 16.243 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.343 -8.822 16.878 1.00 0.00 H new ATOM 0 HA MET B 1 -6.299 -8.668 16.651 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.466 -7.572 18.697 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.360 -6.609 17.737 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.423 -5.365 18.342 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.194 -5.483 16.609 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.077 -5.495 16.764 1.00 0.00 H new ATOM 0 HE2 MET B 1 -9.007 -4.583 17.856 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.603 -4.725 16.128 1.00 0.00 H new ATOM 889 N GLN B 2 -6.148 -7.404 14.480 1.00 0.00 N ATOM 890 CA GLN B 2 -6.088 -6.744 13.165 1.00 0.00 C ATOM 891 C GLN B 2 -5.860 -5.224 13.313 1.00 0.00 C ATOM 892 O GLN B 2 -6.541 -4.562 14.099 1.00 0.00 O ATOM 893 CB GLN B 2 -7.399 -6.998 12.394 1.00 0.00 C ATOM 894 CG GLN B 2 -7.279 -6.737 10.883 1.00 0.00 C ATOM 895 CD GLN B 2 -6.899 -7.986 10.120 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.747 -8.776 9.723 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.626 -8.203 9.884 1.00 0.00 N ATOM 0 H GLN B 2 -7.092 -7.674 14.755 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.248 -7.164 12.612 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.711 -8.030 12.553 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.182 -6.361 12.804 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.227 -6.356 10.505 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.532 -5.963 10.707 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.925 -7.541 10.218 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.338 -9.034 9.367 1.00 0.00 H new ATOM 906 N TYR B 3 -4.935 -4.673 12.527 1.00 0.00 N ATOM 907 CA TYR B 3 -4.674 -3.233 12.374 1.00 0.00 C ATOM 908 C TYR B 3 -4.758 -2.794 10.900 1.00 0.00 C ATOM 909 O TYR B 3 -4.621 -3.618 9.992 1.00 0.00 O ATOM 910 CB TYR B 3 -3.304 -2.895 12.972 1.00 0.00 C ATOM 911 CG TYR B 3 -3.207 -3.090 14.475 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.852 -4.344 15.008 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.469 -2.014 15.345 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.783 -4.528 16.401 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.416 -2.205 16.738 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.086 -3.464 17.266 1.00 0.00 C ATOM 917 OH TYR B 3 -3.063 -3.658 18.613 1.00 0.00 O ATOM 0 H TYR B 3 -4.315 -5.242 11.950 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.445 -2.682 12.913 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.548 -3.514 12.489 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.065 -1.858 12.737 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.632 -5.168 14.345 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.711 -1.041 14.943 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.497 -5.488 16.805 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.630 -1.381 17.403 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.295 -2.822 19.068 1.00 0.00 H new ATOM 927 N LYS B 4 -4.941 -1.495 10.651 1.00 0.00 N ATOM 928 CA LYS B 4 -5.173 -0.916 9.318 1.00 0.00 C ATOM 929 C LYS B 4 -4.333 0.362 9.081 1.00 0.00 C ATOM 930 O LYS B 4 -4.025 1.084 10.030 1.00 0.00 O ATOM 931 CB LYS B 4 -6.685 -0.642 9.200 1.00 0.00 C ATOM 932 CG LYS B 4 -7.122 -0.095 7.832 1.00 0.00 C ATOM 933 CD LYS B 4 -8.634 0.140 7.765 1.00 0.00 C ATOM 934 CE LYS B 4 -8.963 0.743 6.396 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.401 1.024 6.231 1.00 0.00 N ATOM 0 H LYS B 4 -4.932 -0.793 11.391 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.852 -1.614 8.545 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.227 -1.567 9.399 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.975 0.070 9.973 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.600 0.841 7.632 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.829 -0.796 7.051 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.171 -0.798 7.907 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.950 0.812 8.563 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.399 1.666 6.265 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.638 0.057 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.558 1.508 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.933 0.130 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.727 1.632 7.009 1.00 0.00 H new ATOM 949 N LEU B 5 -4.017 0.671 7.820 1.00 0.00 N ATOM 950 CA LEU B 5 -3.225 1.825 7.369 1.00 0.00 C ATOM 951 C LEU B 5 -3.928 2.540 6.199 1.00 0.00 C ATOM 952 O LEU B 5 -4.012 1.997 5.098 1.00 0.00 O ATOM 953 CB LEU B 5 -1.832 1.303 6.966 1.00 0.00 C ATOM 954 CG LEU B 5 -0.691 2.302 6.698 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.877 3.157 5.449 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.433 3.224 7.885 1.00 0.00 C ATOM 0 H LEU B 5 -4.324 0.090 7.039 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.123 2.561 8.166 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.496 0.629 7.754 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.957 0.702 6.065 1.00 0.00 H new ATOM 0 HG LEU B 5 0.173 1.659 6.532 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.027 3.830 5.339 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.944 2.512 4.573 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.793 3.741 5.541 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.380 3.908 7.644 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.335 3.795 8.105 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.160 2.628 8.756 1.00 0.00 H new ATOM 968 N ILE B 6 -4.427 3.753 6.428 1.00 0.00 N ATOM 969 CA ILE B 6 -4.940 4.664 5.388 1.00 0.00 C ATOM 970 C ILE B 6 -3.774 5.501 4.853 1.00 0.00 C ATOM 971 O ILE B 6 -3.080 6.160 5.632 1.00 0.00 O ATOM 972 CB ILE B 6 -6.032 5.603 5.961 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.140 4.784 6.661 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.592 6.512 4.846 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.280 5.619 7.252 1.00 0.00 C ATOM 0 H ILE B 6 -4.491 4.147 7.367 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.386 4.074 4.587 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.588 6.250 6.717 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.559 4.079 5.943 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.688 4.195 7.459 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.358 7.167 5.261 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.786 7.115 4.429 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.028 5.896 4.059 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -9.009 4.959 7.722 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.879 6.306 7.997 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.764 6.187 6.458 1.00 0.00 H new ATOM 987 N LEU B 7 -3.548 5.521 3.542 1.00 0.00 N ATOM 988 CA LEU B 7 -2.450 6.216 2.880 1.00 0.00 C ATOM 989 C LEU B 7 -3.000 7.364 2.012 1.00 0.00 C ATOM 990 O LEU B 7 -3.782 7.135 1.086 1.00 0.00 O ATOM 991 CB LEU B 7 -1.675 5.182 2.045 1.00 0.00 C ATOM 992 CG LEU B 7 -0.479 5.776 1.282 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.630 6.255 2.215 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.103 4.728 0.348 1.00 0.00 C ATOM 0 H LEU B 7 -4.153 5.031 2.883 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.774 6.666 3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.318 4.390 2.704 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.357 4.720 1.331 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.853 6.636 0.726 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.450 6.665 1.625 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.239 7.026 2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.994 5.416 2.808 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.950 5.152 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.436 3.868 0.929 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.659 4.412 -0.364 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.582 8.588 2.325 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.822 9.761 1.493 1.00 0.00 C ATOM 1008 C ASN B 8 -1.462 10.360 1.077 1.00 0.00 C ATOM 1009 O ASN B 8 -0.522 10.416 1.875 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.710 10.783 2.217 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.845 10.196 3.037 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.971 10.043 2.576 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.573 9.904 4.290 1.00 0.00 N ATOM 0 H ASN B 8 -2.060 8.794 3.176 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.366 9.471 0.594 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.082 11.383 2.875 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.133 11.461 1.476 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.306 9.542 4.900 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.629 10.039 4.652 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.359 10.787 -0.177 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.120 11.262 -0.810 1.00 0.00 C ATOM 1022 C GLY B 9 -0.341 12.066 -2.098 1.00 0.00 C ATOM 1023 O GLY B 9 -1.474 12.273 -2.539 1.00 0.00 O ATOM 0 H GLY B 9 -2.160 10.815 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.425 11.881 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.512 10.403 -1.035 1.00 0.00 H new ATOM 1027 N LYS B 10 0.759 12.493 -2.723 1.00 0.00 N ATOM 1028 CA LYS B 10 0.785 13.339 -3.936 1.00 0.00 C ATOM 1029 C LYS B 10 1.187 12.574 -5.221 1.00 0.00 C ATOM 1030 O LYS B 10 1.313 13.169 -6.295 1.00 0.00 O ATOM 1031 CB LYS B 10 1.714 14.541 -3.673 1.00 0.00 C ATOM 1032 CG LYS B 10 1.225 15.531 -2.597 1.00 0.00 C ATOM 1033 CD LYS B 10 0.007 16.380 -3.013 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.367 15.763 -2.708 1.00 0.00 C ATOM 1035 NZ LYS B 10 -1.706 15.812 -1.273 1.00 0.00 N ATOM 0 H LYS B 10 1.694 12.255 -2.392 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.231 13.683 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS B 10 2.693 14.164 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS B 10 1.850 15.085 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.971 14.972 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS B 10 2.046 16.199 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.071 17.346 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS B 10 0.069 16.572 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.132 16.291 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -1.378 14.726 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.715 15.592 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.132 15.115 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -1.511 16.764 -0.902 1.00 0.00 H new ATOM 1049 N THR B 11 1.347 11.251 -5.119 1.00 0.00 N ATOM 1050 CA THR B 11 1.748 10.338 -6.213 1.00 0.00 C ATOM 1051 C THR B 11 1.021 8.983 -6.122 1.00 0.00 C ATOM 1052 O THR B 11 0.526 8.472 -7.131 1.00 0.00 O ATOM 1053 CB THR B 11 3.279 10.119 -6.179 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.967 11.331 -6.411 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.796 9.111 -7.205 1.00 0.00 C ATOM 0 H THR B 11 1.196 10.759 -4.238 1.00 0.00 H new ATOM 0 HA THR B 11 1.464 10.803 -7.157 1.00 0.00 H new ATOM 0 HB THR B 11 3.470 9.724 -5.181 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.933 11.169 -6.383 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.878 9.019 -7.111 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.333 8.141 -7.027 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.547 9.454 -8.209 1.00 0.00 H new ATOM 1063 N LEU B 12 0.880 8.421 -4.916 1.00 0.00 N ATOM 1064 CA LEU B 12 0.127 7.188 -4.644 1.00 0.00 C ATOM 1065 C LEU B 12 -0.700 7.315 -3.345 1.00 0.00 C ATOM 1066 O LEU B 12 -0.265 7.931 -2.370 1.00 0.00 O ATOM 1067 CB LEU B 12 1.137 6.020 -4.648 1.00 0.00 C ATOM 1068 CG LEU B 12 0.543 4.603 -4.501 1.00 0.00 C ATOM 1069 CD1 LEU B 12 1.454 3.580 -5.174 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.408 4.171 -3.043 1.00 0.00 C ATOM 0 H LEU B 12 1.298 8.822 -4.077 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.618 6.994 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.702 6.059 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.848 6.179 -3.837 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.443 4.642 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.026 2.584 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.550 3.819 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.438 3.605 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.015 3.167 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.390 4.172 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.248 4.865 -2.517 1.00 0.00 H new ATOM 1082 N LYS B 13 -1.896 6.725 -3.349 1.00 0.00 N ATOM 1083 CA LYS B 13 -2.861 6.687 -2.236 1.00 0.00 C ATOM 1084 C LYS B 13 -3.420 5.261 -2.054 1.00 0.00 C ATOM 1085 O LYS B 13 -3.326 4.448 -2.974 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.019 7.661 -2.524 1.00 0.00 C ATOM 1087 CG LYS B 13 -3.560 9.116 -2.716 1.00 0.00 C ATOM 1088 CD LYS B 13 -4.730 10.110 -2.800 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.610 9.861 -4.032 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.708 10.845 -4.133 1.00 0.00 N ATOM 0 H LYS B 13 -2.242 6.232 -4.172 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.350 6.983 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.546 7.333 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.733 7.619 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.910 9.398 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.965 9.186 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.338 10.031 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.340 11.127 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.997 9.908 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.027 8.855 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -7.279 10.642 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -7.309 10.783 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.310 11.803 -4.206 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.017 4.927 -0.909 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.555 3.575 -0.679 1.00 0.00 C ATOM 1106 C GLY B 14 -5.014 3.254 0.747 1.00 0.00 C ATOM 1107 O GLY B 14 -5.084 4.126 1.613 1.00 0.00 O ATOM 0 H GLY B 14 -4.143 5.568 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.400 3.426 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.791 2.851 -0.962 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.310 1.973 0.978 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.697 1.367 2.270 1.00 0.00 C ATOM 1113 C GLU B 15 -5.126 -0.048 2.386 1.00 0.00 C ATOM 1114 O GLU B 15 -5.322 -0.867 1.486 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.226 1.272 2.418 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.920 2.630 2.521 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.426 2.437 2.611 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.933 2.233 3.737 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.100 2.497 1.559 1.00 0.00 O ATOM 0 H GLU B 15 -5.287 1.283 0.227 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.297 2.011 3.053 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.632 0.731 1.563 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.460 0.686 3.307 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.560 3.166 3.399 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.674 3.240 1.652 1.00 0.00 H new ATOM 1126 N THR B 16 -4.432 -0.353 3.482 1.00 0.00 N ATOM 1127 CA THR B 16 -3.820 -1.677 3.736 1.00 0.00 C ATOM 1128 C THR B 16 -4.099 -2.200 5.154 1.00 0.00 C ATOM 1129 O THR B 16 -4.566 -1.463 6.025 1.00 0.00 O ATOM 1130 CB THR B 16 -2.303 -1.714 3.442 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.538 -1.206 4.504 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.873 -0.934 2.200 1.00 0.00 C ATOM 0 H THR B 16 -4.271 0.316 4.235 1.00 0.00 H new ATOM 0 HA THR B 16 -4.308 -2.346 3.028 1.00 0.00 H new ATOM 0 HB THR B 16 -2.119 -2.777 3.283 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.587 -1.251 4.273 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.794 -1.017 2.074 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.373 -1.343 1.322 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.145 0.115 2.317 1.00 0.00 H new ATOM 1140 N THR B 17 -3.838 -3.487 5.392 1.00 0.00 N ATOM 1141 CA THR B 17 -4.233 -4.222 6.608 1.00 0.00 C ATOM 1142 C THR B 17 -3.197 -5.282 6.992 1.00 0.00 C ATOM 1143 O THR B 17 -2.617 -5.933 6.119 1.00 0.00 O ATOM 1144 CB THR B 17 -5.584 -4.964 6.409 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.340 -4.498 5.307 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.464 -4.883 7.654 1.00 0.00 C ATOM 0 H THR B 17 -3.330 -4.070 4.726 1.00 0.00 H new ATOM 0 HA THR B 17 -4.317 -3.471 7.393 1.00 0.00 H new ATOM 0 HB THR B 17 -5.294 -5.996 6.211 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.845 -4.662 4.478 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.399 -5.414 7.474 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.945 -5.339 8.497 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.678 -3.839 7.881 1.00 0.00 H new ATOM 1154 N THR B 18 -2.988 -5.482 8.295 1.00 0.00 N ATOM 1155 CA THR B 18 -2.050 -6.461 8.880 1.00 0.00 C ATOM 1156 C THR B 18 -2.570 -6.994 10.227 1.00 0.00 C ATOM 1157 O THR B 18 -3.511 -6.431 10.796 1.00 0.00 O ATOM 1158 CB THR B 18 -0.640 -5.850 9.056 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.325 -6.867 9.202 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.502 -4.913 10.261 1.00 0.00 C ATOM 0 H THR B 18 -3.485 -4.947 9.007 1.00 0.00 H new ATOM 0 HA THR B 18 -1.978 -7.297 8.184 1.00 0.00 H new ATOM 0 HB THR B 18 -0.481 -5.262 8.152 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.599 -7.187 8.317 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.517 -4.530 10.309 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.198 -4.081 10.156 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.727 -5.461 11.176 1.00 0.00 H new ATOM 1168 N GLU B 19 -1.996 -8.079 10.755 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.250 -8.585 12.123 1.00 0.00 C ATOM 1170 C GLU B 19 -0.956 -8.722 12.922 1.00 0.00 C ATOM 1171 O GLU B 19 -0.013 -9.399 12.509 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.057 -9.897 12.121 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.117 -10.542 13.512 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.396 -11.330 13.734 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.677 -12.269 12.957 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.089 -11.016 14.728 1.00 0.00 O ATOM 0 H GLU B 19 -1.326 -8.648 10.238 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.866 -7.838 12.624 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.070 -9.698 11.770 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.608 -10.597 11.417 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.260 -11.203 13.639 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.036 -9.765 14.273 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.950 -8.064 14.076 1.00 0.00 N ATOM 1184 CA ALA B 20 0.190 -7.865 14.946 1.00 0.00 C ATOM 1185 C ALA B 20 -0.149 -8.159 16.415 1.00 0.00 C ATOM 1186 O ALA B 20 -1.316 -8.192 16.827 1.00 0.00 O ATOM 1187 CB ALA B 20 0.621 -6.409 14.781 1.00 0.00 C ATOM 0 H ALA B 20 -1.796 -7.631 14.446 1.00 0.00 H new ATOM 0 HA ALA B 20 0.990 -8.553 14.673 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.481 -6.210 15.420 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.891 -6.225 13.741 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.201 -5.752 15.064 1.00 0.00 H new ATOM 1193 N VAL B 21 0.901 -8.352 17.210 1.00 0.00 N ATOM 1194 CA VAL B 21 0.786 -8.554 18.665 1.00 0.00 C ATOM 1195 C VAL B 21 0.286 -7.286 19.370 1.00 0.00 C ATOM 1196 O VAL B 21 -0.561 -7.379 20.264 1.00 0.00 O ATOM 1197 CB VAL B 21 2.111 -9.070 19.255 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.283 -8.157 18.891 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.061 -9.275 20.772 1.00 0.00 C ATOM 0 H VAL B 21 1.862 -8.374 16.869 1.00 0.00 H new ATOM 0 HA VAL B 21 0.035 -9.324 18.842 1.00 0.00 H new ATOM 0 HB VAL B 21 2.267 -10.049 18.802 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.201 -8.553 19.325 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.385 -8.110 17.807 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.100 -7.156 19.282 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.027 -9.639 21.122 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.832 -8.327 21.260 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.288 -10.004 21.015 1.00 0.00 H new ATOM 1209 N ASP B 22 0.721 -6.094 18.933 1.00 0.00 N ATOM 1210 CA ASP B 22 0.260 -4.785 19.412 1.00 0.00 C ATOM 1211 C ASP B 22 0.476 -3.712 18.327 1.00 0.00 C ATOM 1212 O ASP B 22 1.189 -3.928 17.339 1.00 0.00 O ATOM 1213 CB ASP B 22 1.063 -4.403 20.681 1.00 0.00 C ATOM 1214 CG ASP B 22 0.267 -3.615 21.745 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.507 -2.698 21.383 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.439 -3.902 22.956 1.00 0.00 O ATOM 0 H ASP B 22 1.433 -6.014 18.207 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.804 -4.841 19.643 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.447 -5.315 21.138 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.926 -3.809 20.381 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.082 -2.535 18.569 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.017 -1.350 17.708 1.00 0.00 C ATOM 1223 C ALA B 23 1.430 -0.953 17.337 1.00 0.00 C ATOM 1224 O ALA B 23 1.679 -0.440 16.251 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.751 -0.196 18.400 1.00 0.00 C ATOM 0 H ALA B 23 -0.623 -2.366 19.417 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.506 -1.588 16.763 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.710 0.692 17.769 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.792 -0.475 18.567 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.274 0.016 19.357 1.00 0.00 H new ATOM 1231 N ALA B 24 2.396 -1.257 18.208 1.00 0.00 N ATOM 1232 CA ALA B 24 3.819 -1.025 18.019 1.00 0.00 C ATOM 1233 C ALA B 24 4.430 -1.966 16.966 1.00 0.00 C ATOM 1234 O ALA B 24 5.303 -1.559 16.204 1.00 0.00 O ATOM 1235 CB ALA B 24 4.531 -1.181 19.367 1.00 0.00 C ATOM 0 H ALA B 24 2.190 -1.693 19.107 1.00 0.00 H new ATOM 0 HA ALA B 24 3.955 -0.012 17.641 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.599 -1.009 19.236 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.131 -0.456 20.076 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.370 -2.189 19.749 1.00 0.00 H new ATOM 1241 N THR B 25 3.953 -3.214 16.874 1.00 0.00 N ATOM 1242 CA THR B 25 4.332 -4.156 15.806 1.00 0.00 C ATOM 1243 C THR B 25 3.568 -3.862 14.505 1.00 0.00 C ATOM 1244 O THR B 25 4.175 -3.858 13.438 1.00 0.00 O ATOM 1245 CB THR B 25 4.143 -5.606 16.261 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.974 -5.859 17.375 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.502 -6.649 15.199 1.00 0.00 C ATOM 0 H THR B 25 3.288 -3.604 17.542 1.00 0.00 H new ATOM 0 HA THR B 25 5.392 -4.015 15.594 1.00 0.00 H new ATOM 0 HB THR B 25 3.081 -5.703 16.488 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.235 -6.804 17.381 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.340 -7.649 15.602 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.873 -6.505 14.321 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.549 -6.536 14.918 1.00 0.00 H new ATOM 1255 N ALA B 26 2.279 -3.502 14.556 1.00 0.00 N ATOM 1256 CA ALA B 26 1.540 -3.084 13.349 1.00 0.00 C ATOM 1257 C ALA B 26 2.110 -1.818 12.672 1.00 0.00 C ATOM 1258 O ALA B 26 2.264 -1.783 11.450 1.00 0.00 O ATOM 1259 CB ALA B 26 0.078 -2.848 13.716 1.00 0.00 C ATOM 0 H ALA B 26 1.726 -3.490 15.413 1.00 0.00 H new ATOM 0 HA ALA B 26 1.643 -3.892 12.624 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.474 -2.539 12.829 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.352 -3.770 14.108 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.015 -2.067 14.474 1.00 0.00 H new ATOM 1265 N GLU B 27 2.521 -0.842 13.493 1.00 0.00 N ATOM 1266 CA GLU B 27 3.283 0.323 12.987 1.00 0.00 C ATOM 1267 C GLU B 27 4.687 -0.043 12.544 1.00 0.00 C ATOM 1268 O GLU B 27 5.169 0.530 11.574 1.00 0.00 O ATOM 1269 CB GLU B 27 3.302 1.564 13.891 1.00 0.00 C ATOM 1270 CG GLU B 27 4.270 1.524 15.067 1.00 0.00 C ATOM 1271 CD GLU B 27 4.274 2.869 15.776 1.00 0.00 C ATOM 1272 OE1 GLU B 27 5.033 3.759 15.328 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.544 3.030 16.779 1.00 0.00 O ATOM 0 H GLU B 27 2.345 -0.829 14.498 1.00 0.00 H new ATOM 0 HA GLU B 27 2.704 0.623 12.114 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.544 2.432 13.277 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.296 1.720 14.280 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.979 0.737 15.763 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.274 1.285 14.716 1.00 0.00 H new ATOM 1280 N LYS B 28 5.326 -1.038 13.168 1.00 0.00 N ATOM 1281 CA LYS B 28 6.601 -1.557 12.643 1.00 0.00 C ATOM 1282 C LYS B 28 6.443 -2.206 11.251 1.00 0.00 C ATOM 1283 O LYS B 28 7.237 -1.924 10.353 1.00 0.00 O ATOM 1284 CB LYS B 28 7.234 -2.509 13.671 1.00 0.00 C ATOM 1285 CG LYS B 28 8.697 -2.866 13.368 1.00 0.00 C ATOM 1286 CD LYS B 28 9.251 -3.910 14.356 1.00 0.00 C ATOM 1287 CE LYS B 28 9.198 -3.501 15.838 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.088 -2.363 16.149 1.00 0.00 N ATOM 0 H LYS B 28 4.994 -1.494 14.018 1.00 0.00 H new ATOM 0 HA LYS B 28 7.280 -0.718 12.492 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.179 -2.051 14.659 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.647 -3.427 13.712 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.773 -3.252 12.352 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.307 -1.964 13.413 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.692 -4.837 14.231 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.287 -4.124 14.091 1.00 0.00 H new ATOM 0 HE2 LYS B 28 8.174 -3.238 16.101 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.477 -4.354 16.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.013 -2.130 17.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.071 -2.620 15.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.808 -1.538 15.581 1.00 0.00 H new ATOM 1302 N VAL B 29 5.414 -3.030 11.013 1.00 0.00 N ATOM 1303 CA VAL B 29 5.110 -3.591 9.675 1.00 0.00 C ATOM 1304 C VAL B 29 4.754 -2.492 8.660 1.00 0.00 C ATOM 1305 O VAL B 29 5.365 -2.415 7.593 1.00 0.00 O ATOM 1306 CB VAL B 29 3.988 -4.651 9.761 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.563 -5.180 8.383 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.453 -5.866 10.579 1.00 0.00 C ATOM 0 H VAL B 29 4.764 -3.331 11.739 1.00 0.00 H new ATOM 0 HA VAL B 29 6.015 -4.081 9.316 1.00 0.00 H new ATOM 0 HB VAL B 29 3.145 -4.147 10.233 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.773 -5.921 8.506 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.195 -4.354 7.774 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.419 -5.641 7.890 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.649 -6.601 10.628 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.325 -6.313 10.102 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.715 -5.547 11.588 1.00 0.00 H new ATOM 1318 N PHE B 30 3.828 -1.589 8.991 1.00 0.00 N ATOM 1319 CA PHE B 30 3.465 -0.492 8.083 1.00 0.00 C ATOM 1320 C PHE B 30 4.647 0.448 7.757 1.00 0.00 C ATOM 1321 O PHE B 30 4.822 0.851 6.605 1.00 0.00 O ATOM 1322 CB PHE B 30 2.288 0.314 8.646 1.00 0.00 C ATOM 1323 CG PHE B 30 0.976 -0.438 8.834 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.490 -1.313 7.839 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.212 -0.226 9.999 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.738 -1.978 8.019 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.011 -0.896 10.179 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.488 -1.766 9.186 1.00 0.00 C ATOM 0 H PHE B 30 3.318 -1.593 9.874 1.00 0.00 H new ATOM 0 HA PHE B 30 3.169 -0.962 7.145 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.587 0.725 9.610 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.105 1.159 7.982 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.062 -1.473 6.937 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.568 0.455 10.758 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.103 -2.652 7.258 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.584 -0.741 11.082 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.432 -2.272 9.320 1.00 0.00 H new ATOM 1338 N LYS B 31 5.511 0.744 8.731 1.00 0.00 N ATOM 1339 CA LYS B 31 6.719 1.549 8.494 1.00 0.00 C ATOM 1340 C LYS B 31 7.812 0.792 7.719 1.00 0.00 C ATOM 1341 O LYS B 31 8.627 1.428 7.056 1.00 0.00 O ATOM 1342 CB LYS B 31 7.269 2.123 9.808 1.00 0.00 C ATOM 1343 CG LYS B 31 6.353 3.249 10.311 1.00 0.00 C ATOM 1344 CD LYS B 31 6.752 3.770 11.693 1.00 0.00 C ATOM 1345 CE LYS B 31 5.850 4.957 12.047 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.132 5.482 13.397 1.00 0.00 N ATOM 0 H LYS B 31 5.398 0.438 9.697 1.00 0.00 H new ATOM 0 HA LYS B 31 6.412 2.377 7.855 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.337 1.335 10.558 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.278 2.505 9.654 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.374 4.073 9.598 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.326 2.886 10.348 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.650 2.982 12.439 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.798 4.076 11.694 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.990 5.750 11.313 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.806 4.649 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.830 6.476 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.613 4.922 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.152 5.419 13.588 1.00 0.00 H new ATOM 1360 N GLN B 32 7.824 -0.544 7.724 1.00 0.00 N ATOM 1361 CA GLN B 32 8.698 -1.351 6.856 1.00 0.00 C ATOM 1362 C GLN B 32 8.326 -1.239 5.360 1.00 0.00 C ATOM 1363 O GLN B 32 9.221 -1.178 4.515 1.00 0.00 O ATOM 1364 CB GLN B 32 8.698 -2.810 7.351 1.00 0.00 C ATOM 1365 CG GLN B 32 9.764 -3.016 8.433 1.00 0.00 C ATOM 1366 CD GLN B 32 9.666 -4.394 9.048 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.444 -5.292 8.749 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.704 -4.598 9.920 1.00 0.00 N ATOM 0 H GLN B 32 7.226 -1.103 8.332 1.00 0.00 H new ATOM 0 HA GLN B 32 9.711 -0.955 6.925 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.715 -3.064 7.749 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.887 -3.483 6.515 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.755 -2.878 8.001 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.647 -2.260 9.210 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.064 -3.841 10.159 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.598 -5.513 10.357 1.00 0.00 H new ATOM 1377 N TYR B 33 7.035 -1.133 5.017 1.00 0.00 N ATOM 1378 CA TYR B 33 6.570 -0.838 3.643 1.00 0.00 C ATOM 1379 C TYR B 33 6.673 0.658 3.255 1.00 0.00 C ATOM 1380 O TYR B 33 7.035 0.980 2.124 1.00 0.00 O ATOM 1381 CB TYR B 33 5.121 -1.333 3.473 1.00 0.00 C ATOM 1382 CG TYR B 33 5.014 -2.822 3.174 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.295 -3.773 4.177 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.647 -3.262 1.885 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.241 -5.149 3.885 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.592 -4.641 1.597 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.897 -5.582 2.596 1.00 0.00 C ATOM 1388 OH TYR B 33 4.863 -6.914 2.322 1.00 0.00 O ATOM 0 H TYR B 33 6.274 -1.249 5.686 1.00 0.00 H new ATOM 0 HA TYR B 33 7.238 -1.370 2.966 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.562 -1.113 4.383 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.648 -0.774 2.665 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.553 -3.444 5.173 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.408 -2.541 1.117 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.465 -5.873 4.655 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.315 -4.975 0.608 1.00 0.00 H new ATOM 0 HH TYR B 33 4.196 -7.088 1.625 1.00 0.00 H new ATOM 1398 N PHE B 34 6.386 1.551 4.206 1.00 0.00 N ATOM 1399 CA PHE B 34 6.219 3.003 3.981 1.00 0.00 C ATOM 1400 C PHE B 34 7.346 3.902 4.561 1.00 0.00 C ATOM 1401 O PHE B 34 7.115 5.066 4.896 1.00 0.00 O ATOM 1402 CB PHE B 34 4.802 3.440 4.401 1.00 0.00 C ATOM 1403 CG PHE B 34 3.673 2.686 3.710 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.541 2.741 2.308 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.751 1.928 4.460 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.528 2.011 1.660 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.738 1.199 3.813 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.629 1.235 2.413 1.00 0.00 C ATOM 0 H PHE B 34 6.258 1.284 5.182 1.00 0.00 H new ATOM 0 HA PHE B 34 6.328 3.164 2.909 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.701 3.311 5.479 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.689 4.504 4.196 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.221 3.347 1.728 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.823 1.907 5.537 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.441 2.047 0.584 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.043 0.610 4.393 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.856 0.668 1.916 1.00 0.00 H new ATOM 1418 N ASN B 35 8.573 3.380 4.683 1.00 0.00 N ATOM 1419 CA ASN B 35 9.737 4.089 5.247 1.00 0.00 C ATOM 1420 C ASN B 35 10.125 5.413 4.528 1.00 0.00 C ATOM 1421 O ASN B 35 10.226 6.456 5.178 1.00 0.00 O ATOM 1422 CB ASN B 35 10.931 3.123 5.366 1.00 0.00 C ATOM 1423 CG ASN B 35 11.570 2.711 4.051 1.00 0.00 C ATOM 1424 OD1 ASN B 35 10.912 2.465 3.046 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.881 2.652 4.029 1.00 0.00 N ATOM 0 H ASN B 35 8.793 2.429 4.386 1.00 0.00 H new ATOM 0 HA ASN B 35 9.433 4.421 6.240 1.00 0.00 H new ATOM 0 HB2 ASN B 35 11.693 3.590 5.990 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.599 2.225 5.886 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.366 2.399 3.168 1.00 0.00 H new ATOM 0 HD22 ASN B 35 13.415 2.859 4.873 1.00 0.00 H new ATOM 1432 N ASP B 36 10.352 5.373 3.205 1.00 0.00 N ATOM 1433 CA ASP B 36 10.816 6.497 2.354 1.00 0.00 C ATOM 1434 C ASP B 36 10.635 6.261 0.839 1.00 0.00 C ATOM 1435 O ASP B 36 11.309 6.877 0.008 1.00 0.00 O ATOM 1436 CB ASP B 36 12.288 6.846 2.671 1.00 0.00 C ATOM 1437 CG ASP B 36 13.338 5.733 2.424 1.00 0.00 C ATOM 1438 OD1 ASP B 36 13.195 4.916 1.482 1.00 0.00 O ATOM 1439 OD2 ASP B 36 14.341 5.694 3.179 1.00 0.00 O ATOM 0 H ASP B 36 10.212 4.518 2.667 1.00 0.00 H new ATOM 0 HA ASP B 36 10.172 7.340 2.604 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.567 7.715 2.075 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.349 7.144 3.718 1.00 0.00 H new ATOM 1444 N ASN B 37 9.713 5.368 0.477 1.00 0.00 N ATOM 1445 CA ASN B 37 9.439 5.022 -0.926 1.00 0.00 C ATOM 1446 C ASN B 37 8.988 6.241 -1.779 1.00 0.00 C ATOM 1447 O ASN B 37 9.346 6.362 -2.954 1.00 0.00 O ATOM 1448 CB ASN B 37 8.465 3.829 -0.974 1.00 0.00 C ATOM 1449 CG ASN B 37 7.115 4.040 -0.298 1.00 0.00 C ATOM 1450 OD1 ASN B 37 6.716 5.138 0.070 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.385 2.969 -0.089 1.00 0.00 N ATOM 0 H ASN B 37 9.133 4.862 1.146 1.00 0.00 H new ATOM 0 HA ASN B 37 10.370 4.712 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN B 37 8.290 3.571 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN B 37 8.951 2.970 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN B 37 5.483 3.050 0.381 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.720 2.056 -0.396 1.00 0.00 H new ATOM 1458 N GLY B 38 8.255 7.165 -1.154 1.00 0.00 N ATOM 1459 CA GLY B 38 7.824 8.436 -1.758 1.00 0.00 C ATOM 1460 C GLY B 38 6.911 9.333 -0.916 1.00 0.00 C ATOM 1461 O GLY B 38 6.993 10.557 -1.035 1.00 0.00 O ATOM 0 H GLY B 38 7.935 7.052 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.715 9.008 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY B 38 7.309 8.210 -2.692 1.00 0.00 H new ATOM 1465 N VAL B 39 6.051 8.762 -0.062 1.00 0.00 N ATOM 1466 CA VAL B 39 5.070 9.540 0.724 1.00 0.00 C ATOM 1467 C VAL B 39 5.718 10.439 1.795 1.00 0.00 C ATOM 1468 O VAL B 39 5.404 11.627 1.858 1.00 0.00 O ATOM 1469 CB VAL B 39 3.972 8.628 1.317 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.468 7.606 2.351 1.00 0.00 C ATOM 1471 CG2 VAL B 39 2.834 9.449 1.928 1.00 0.00 C ATOM 0 H VAL B 39 6.011 7.757 0.106 1.00 0.00 H new ATOM 0 HA VAL B 39 4.591 10.223 0.023 1.00 0.00 H new ATOM 0 HB VAL B 39 3.612 8.055 0.462 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.626 7.013 2.709 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.204 6.949 1.889 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.926 8.130 3.190 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.079 8.777 2.336 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.228 10.079 2.725 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.384 10.076 1.158 1.00 0.00 H new ATOM 1481 N ASP B 40 6.644 9.903 2.608 1.00 0.00 N ATOM 1482 CA ASP B 40 7.281 10.562 3.778 1.00 0.00 C ATOM 1483 C ASP B 40 6.324 11.463 4.605 1.00 0.00 C ATOM 1484 O ASP B 40 6.676 12.566 5.034 1.00 0.00 O ATOM 1485 CB ASP B 40 8.563 11.285 3.309 1.00 0.00 C ATOM 1486 CG ASP B 40 9.466 11.808 4.452 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.668 11.085 5.458 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.018 12.929 4.317 1.00 0.00 O ATOM 0 H ASP B 40 6.990 8.954 2.467 1.00 0.00 H new ATOM 0 HA ASP B 40 7.556 9.787 4.493 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.144 10.601 2.690 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.279 12.125 2.676 1.00 0.00 H new ATOM 1493 N GLY B 41 5.081 11.007 4.780 1.00 0.00 N ATOM 1494 CA GLY B 41 3.973 11.793 5.344 1.00 0.00 C ATOM 1495 C GLY B 41 3.906 11.843 6.876 1.00 0.00 C ATOM 1496 O GLY B 41 4.647 11.154 7.583 1.00 0.00 O ATOM 0 H GLY B 41 4.807 10.057 4.528 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.048 12.813 4.968 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.034 11.384 4.971 1.00 0.00 H new ATOM 1500 N GLU B 42 2.982 12.660 7.393 1.00 0.00 N ATOM 1501 CA GLU B 42 2.639 12.764 8.828 1.00 0.00 C ATOM 1502 C GLU B 42 1.834 11.544 9.284 1.00 0.00 C ATOM 1503 O GLU B 42 0.753 11.290 8.755 1.00 0.00 O ATOM 1504 CB GLU B 42 1.842 14.055 9.079 1.00 0.00 C ATOM 1505 CG GLU B 42 1.569 14.301 10.561 1.00 0.00 C ATOM 1506 CD GLU B 42 0.947 15.678 10.750 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.293 15.798 10.617 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.698 16.636 11.039 1.00 0.00 O ATOM 0 H GLU B 42 2.431 13.290 6.811 1.00 0.00 H new ATOM 0 HA GLU B 42 3.562 12.795 9.407 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.392 14.902 8.670 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.894 14.002 8.543 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.900 13.533 10.949 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.497 14.230 11.128 1.00 0.00 H new ATOM 1515 N TRP B 43 2.350 10.793 10.258 1.00 0.00 N ATOM 1516 CA TRP B 43 1.679 9.615 10.830 1.00 0.00 C ATOM 1517 C TRP B 43 0.698 10.007 11.957 1.00 0.00 C ATOM 1518 O TRP B 43 0.987 10.881 12.780 1.00 0.00 O ATOM 1519 CB TRP B 43 2.733 8.618 11.344 1.00 0.00 C ATOM 1520 CG TRP B 43 3.507 7.896 10.279 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.479 8.436 9.509 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.372 6.510 9.823 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.932 7.505 8.596 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.268 6.306 8.727 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.570 5.411 10.205 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.344 5.092 8.031 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.650 4.181 9.522 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.522 4.024 8.429 1.00 0.00 C ATOM 0 H TRP B 43 3.258 10.985 10.681 1.00 0.00 H new ATOM 0 HA TRP B 43 1.090 9.142 10.044 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.437 9.155 11.981 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.235 7.879 11.972 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.847 9.448 9.596 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.666 7.683 7.911 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.885 5.515 11.033 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.025 4.979 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.036 3.351 9.840 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.560 3.085 7.897 1.00 0.00 H new ATOM 1539 N THR B 44 -0.462 9.353 11.997 1.00 0.00 N ATOM 1540 CA THR B 44 -1.552 9.516 12.984 1.00 0.00 C ATOM 1541 C THR B 44 -2.120 8.134 13.365 1.00 0.00 C ATOM 1542 O THR B 44 -2.045 7.212 12.548 1.00 0.00 O ATOM 1543 CB THR B 44 -2.685 10.376 12.376 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.186 11.546 11.761 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.740 10.824 13.390 1.00 0.00 C ATOM 0 H THR B 44 -0.690 8.646 11.298 1.00 0.00 H new ATOM 0 HA THR B 44 -1.155 10.008 13.872 1.00 0.00 H new ATOM 0 HB THR B 44 -3.150 9.712 11.647 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.931 12.062 11.388 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.499 11.422 12.885 1.00 0.00 H new ATOM 0 HG22 THR B 44 -4.208 9.948 13.839 1.00 0.00 H new ATOM 0 HG23 THR B 44 -3.266 11.422 14.168 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.724 7.959 14.548 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.339 6.690 14.996 1.00 0.00 C ATOM 1555 C TYR B 45 -4.611 6.903 15.847 1.00 0.00 C ATOM 1556 O TYR B 45 -4.678 7.824 16.666 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.298 5.906 15.813 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.814 4.647 16.496 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.190 3.524 15.736 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.921 4.600 17.901 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.652 2.357 16.374 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.390 3.435 18.537 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.756 2.314 17.774 1.00 0.00 C ATOM 1564 OH TYR B 45 -4.212 1.188 18.389 1.00 0.00 O ATOM 0 H TYR B 45 -2.803 8.706 15.238 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.646 6.137 14.108 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.477 5.629 15.152 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.885 6.568 16.574 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.124 3.557 14.659 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.642 5.460 18.491 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.927 1.494 15.786 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.469 3.403 19.614 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.611 1.425 19.252 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.599 6.018 15.671 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.849 5.901 16.445 1.00 0.00 C ATOM 1576 C ASP B 46 -6.939 4.548 17.150 1.00 0.00 C ATOM 1577 O ASP B 46 -6.937 3.506 16.486 1.00 0.00 O ATOM 1578 CB ASP B 46 -8.041 6.034 15.490 1.00 0.00 C ATOM 1579 CG ASP B 46 -9.366 6.228 16.232 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.998 5.199 16.543 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.769 7.388 16.486 1.00 0.00 O ATOM 0 H ASP B 46 -5.547 5.314 14.934 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.861 6.689 17.197 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.875 6.879 14.822 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.104 5.142 14.866 1.00 0.00 H new ATOM 1586 N ASP B 47 -7.014 4.521 18.485 1.00 0.00 N ATOM 1587 CA ASP B 47 -7.027 3.277 19.269 1.00 0.00 C ATOM 1588 C ASP B 47 -8.419 2.630 19.361 1.00 0.00 C ATOM 1589 O ASP B 47 -8.539 1.415 19.474 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.443 3.589 20.661 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.032 2.327 21.437 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.224 1.530 20.902 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.538 2.116 22.564 1.00 0.00 O ATOM 0 H ASP B 47 -7.068 5.364 19.056 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.414 2.533 18.760 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.575 4.238 20.547 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -7.180 4.142 21.243 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.480 3.427 19.253 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.881 2.949 19.239 1.00 0.00 C ATOM 1600 C ALA B 48 -11.248 2.125 17.989 1.00 0.00 C ATOM 1601 O ALA B 48 -12.251 1.406 17.950 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.817 4.160 19.267 1.00 0.00 C ATOM 0 H ALA B 48 -9.400 4.441 19.171 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.989 2.304 20.111 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.853 3.820 19.257 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.634 4.740 20.172 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.631 4.784 18.392 1.00 0.00 H new ATOM 1608 N THR B 49 -10.415 2.298 16.971 1.00 0.00 N ATOM 1609 CA THR B 49 -10.569 1.693 15.648 1.00 0.00 C ATOM 1610 C THR B 49 -9.322 0.962 15.132 1.00 0.00 C ATOM 1611 O THR B 49 -9.339 0.421 14.024 1.00 0.00 O ATOM 1612 CB THR B 49 -11.152 2.713 14.657 1.00 0.00 C ATOM 1613 OG1 THR B 49 -10.228 3.724 14.360 1.00 0.00 O ATOM 1614 CG2 THR B 49 -12.431 3.388 15.163 1.00 0.00 C ATOM 0 H THR B 49 -9.583 2.884 17.043 1.00 0.00 H new ATOM 0 HA THR B 49 -11.293 0.885 15.751 1.00 0.00 H new ATOM 0 HB THR B 49 -11.390 2.131 13.766 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.811 4.039 15.189 1.00 0.00 H new ATOM 0 HG21 THR B 49 -12.789 4.096 14.415 1.00 0.00 H new ATOM 0 HG22 THR B 49 -13.195 2.632 15.342 1.00 0.00 H new ATOM 0 HG23 THR B 49 -12.220 3.918 16.092 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.245 0.901 15.932 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.984 0.205 15.622 1.00 0.00 C ATOM 1624 C LYS B 50 -6.423 0.592 14.243 1.00 0.00 C ATOM 1625 O LYS B 50 -5.879 -0.234 13.504 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.133 -1.317 15.832 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.635 -1.741 17.223 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.869 -1.084 18.377 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.358 -1.626 19.726 1.00 0.00 C ATOM 1630 NZ LYS B 50 -7.037 -0.712 20.837 1.00 0.00 N ATOM 0 H LYS B 50 -8.227 1.352 16.847 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.227 0.542 16.330 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.821 -1.705 15.081 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.167 -1.788 15.653 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.692 -1.491 17.311 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.555 -2.824 17.315 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.801 -1.275 18.268 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -7.005 -0.003 18.342 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.436 -1.782 19.685 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.902 -2.598 19.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.066 -1.235 21.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.086 -0.316 20.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.733 0.060 20.863 1.00 0.00 H new ATOM 1644 N THR B 51 -6.601 1.866 13.885 1.00 0.00 N ATOM 1645 CA THR B 51 -6.318 2.343 12.516 1.00 0.00 C ATOM 1646 C THR B 51 -5.284 3.467 12.521 1.00 0.00 C ATOM 1647 O THR B 51 -5.364 4.408 13.312 1.00 0.00 O ATOM 1648 CB THR B 51 -7.610 2.772 11.790 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.499 1.680 11.659 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.360 3.278 10.364 1.00 0.00 C ATOM 0 H THR B 51 -6.939 2.590 14.519 1.00 0.00 H new ATOM 0 HA THR B 51 -5.892 1.507 11.960 1.00 0.00 H new ATOM 0 HB THR B 51 -8.023 3.573 12.403 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.729 1.337 12.548 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.308 3.564 9.908 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.697 4.143 10.396 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.897 2.487 9.773 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.310 3.379 11.619 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.260 4.360 11.364 1.00 0.00 C ATOM 1660 C PHE B 52 -3.595 5.144 10.087 1.00 0.00 C ATOM 1661 O PHE B 52 -4.176 4.596 9.148 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.914 3.646 11.181 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.355 3.030 12.446 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.698 1.713 12.809 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.499 3.785 13.268 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.185 1.153 13.992 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.004 3.230 14.456 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.341 1.917 14.818 1.00 0.00 C ATOM 0 H PHE B 52 -4.228 2.567 11.007 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.194 5.044 12.210 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.031 2.863 10.431 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.189 4.359 10.788 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.355 1.133 12.178 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.229 4.792 12.986 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.438 0.139 14.266 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.656 3.812 15.091 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.043 1.493 15.734 1.00 0.00 H new ATOM 1678 N THR B 53 -3.242 6.422 10.046 1.00 0.00 N ATOM 1679 CA THR B 53 -3.371 7.270 8.849 1.00 0.00 C ATOM 1680 C THR B 53 -2.041 7.969 8.545 1.00 0.00 C ATOM 1681 O THR B 53 -1.367 8.452 9.455 1.00 0.00 O ATOM 1682 CB THR B 53 -4.493 8.312 9.030 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.717 7.685 9.348 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.742 9.167 7.787 1.00 0.00 C ATOM 0 H THR B 53 -2.852 6.914 10.850 1.00 0.00 H new ATOM 0 HA THR B 53 -3.633 6.630 8.006 1.00 0.00 H new ATOM 0 HB THR B 53 -4.146 8.955 9.839 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.414 8.365 9.460 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.544 9.877 7.988 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.832 9.710 7.531 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.027 8.524 6.954 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.675 8.036 7.265 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.498 8.762 6.738 1.00 0.00 C ATOM 1694 C VAL B 54 -0.969 9.792 5.714 1.00 0.00 C ATOM 1695 O VAL B 54 -1.760 9.453 4.832 1.00 0.00 O ATOM 1696 CB VAL B 54 0.531 7.809 6.097 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.758 8.565 5.563 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.032 6.789 7.124 1.00 0.00 C ATOM 0 H VAL B 54 -2.206 7.570 6.529 1.00 0.00 H new ATOM 0 HA VAL B 54 0.000 9.257 7.571 1.00 0.00 H new ATOM 0 HB VAL B 54 0.019 7.313 5.272 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.458 7.856 5.120 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.442 9.284 4.807 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.246 9.092 6.383 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.757 6.125 6.653 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.505 7.312 7.955 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.191 6.203 7.495 1.00 0.00 H new ATOM 1708 N THR B 55 -0.519 11.041 5.838 1.00 0.00 N ATOM 1709 CA THR B 55 -0.979 12.155 4.989 1.00 0.00 C ATOM 1710 C THR B 55 0.186 13.019 4.481 1.00 0.00 C ATOM 1711 O THR B 55 1.112 13.344 5.234 1.00 0.00 O ATOM 1712 CB THR B 55 -2.050 13.002 5.711 1.00 0.00 C ATOM 1713 OG1 THR B 55 -3.146 12.198 6.091 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.627 14.130 4.851 1.00 0.00 C ATOM 0 H THR B 55 0.177 11.316 6.531 1.00 0.00 H new ATOM 0 HA THR B 55 -1.445 11.716 4.107 1.00 0.00 H new ATOM 0 HB THR B 55 -1.531 13.432 6.568 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.814 12.750 6.548 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.372 14.681 5.425 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.826 14.806 4.553 1.00 0.00 H new ATOM 0 HG23 THR B 55 -3.094 13.707 3.962 1.00 0.00 H new ATOM 1722 N GLU B 56 0.127 13.388 3.196 1.00 0.00 N ATOM 1723 CA GLU B 56 1.083 14.201 2.434 1.00 0.00 C ATOM 1724 C GLU B 56 0.340 14.892 1.291 1.00 0.00 C ATOM 1725 O GLU B 56 0.444 16.130 1.173 1.00 0.00 O ATOM 1726 CB GLU B 56 2.210 13.279 1.940 1.00 0.00 C ATOM 1727 CG GLU B 56 3.062 13.814 0.794 1.00 0.00 C ATOM 1728 CD GLU B 56 3.838 15.089 1.123 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.237 15.296 2.292 1.00 0.00 O ATOM 1730 OE2 GLU B 56 4.091 15.870 0.178 1.00 0.00 O ATOM 1731 OXT GLU B 56 -0.392 14.200 0.554 1.00 0.00 O ATOM 0 H GLU B 56 -0.659 13.101 2.612 1.00 0.00 H new ATOM 0 HA GLU B 56 1.533 14.982 3.047 1.00 0.00 H new ATOM 0 HB2 GLU B 56 2.867 13.059 2.782 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.767 12.334 1.626 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.769 13.041 0.492 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.416 14.008 -0.063 1.00 0.00 H new