USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 783 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 Single : A 4 THR OG1 : rot -32:sc= 0.497 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 17 GLN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 19 CYS SG : rot 98:sc= 0.0369 USER MOD Single : A 24 THR OG1 : rot 162:sc= 1.27 USER MOD Single : A 28 GLN : amide:sc=-0.00592 K(o=-0.0059,f=-0.87) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= 1.18 (180deg=-0.637!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 130:sc= -0.0178 USER MOD Single : A 34 SER OG : rot 118:sc= 0.317 USER MOD Single : A 37 SER OG : rot 84:sc= 1.12 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -92:sc= -0.0488 (180deg=-1.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.2) USER MOD Single : A 43 GLN : amide:sc= 0.575 X(o=0.57,f=0.62) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 56 SER OG : rot 159:sc= 1.12 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.896 K(o=0.9,f=-0.1) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.0284 (180deg=-0.369) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -163:sc= 1.22 USER MOD Single : A 83 THR OG1 : rot 119:sc= 0.134 USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.1 (180deg=0.813) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00273 USER MOD Single : A 87 MET CE :methyl 165:sc= 0 (180deg=-0.137) USER MOD Single : A 92 ASN : amide:sc= 0.222 K(o=0.22,f=-2.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl -160:sc= -0.0126 (180deg=-0.41) USER MOD Single : A 108 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 109 SER OG : rot -32:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -12.058 4.255 1.054 1.00 0.68 N ATOM 32 CA ILE A 3 -11.140 4.769 0.041 1.00 0.65 C ATOM 33 C ILE A 3 -11.803 4.830 -1.339 1.00 0.73 C ATOM 34 O ILE A 3 -11.531 5.713 -2.150 1.00 0.81 O ATOM 35 CB ILE A 3 -9.834 3.951 0.056 1.00 0.79 C ATOM 36 CG1 ILE A 3 -9.959 2.564 -0.596 1.00 1.06 C ATOM 37 CG2 ILE A 3 -9.342 3.790 1.501 1.00 0.80 C ATOM 38 CD1 ILE A 3 -9.548 2.571 -2.075 1.00 1.40 C ATOM 0 HA ILE A 3 -10.879 5.799 0.282 1.00 0.65 H new ATOM 0 HB ILE A 3 -9.117 4.512 -0.543 1.00 0.79 H new ATOM 0 HG12 ILE A 3 -9.337 1.853 -0.053 1.00 1.06 H new ATOM 0 HG13 ILE A 3 -10.989 2.217 -0.510 1.00 1.06 H new ATOM 0 HG21 ILE A 3 -8.418 3.211 1.509 1.00 0.80 H new ATOM 0 HG22 ILE A 3 -9.158 4.773 1.934 1.00 0.80 H new ATOM 0 HG23 ILE A 3 -10.100 3.271 2.088 1.00 0.80 H new ATOM 0 HD11 ILE A 3 -9.655 1.568 -2.487 1.00 1.40 H new ATOM 0 HD12 ILE A 3 -10.187 3.260 -2.627 1.00 1.40 H new ATOM 0 HD13 ILE A 3 -8.510 2.890 -2.163 1.00 1.40 H new ATOM 50 N THR A 4 -12.701 3.882 -1.613 1.00 0.84 N ATOM 51 CA THR A 4 -13.368 3.686 -2.858 1.00 1.05 C ATOM 52 C THR A 4 -14.359 4.817 -3.153 1.00 1.09 C ATOM 53 O THR A 4 -14.943 4.805 -4.233 1.00 1.54 O ATOM 54 CB THR A 4 -14.044 2.307 -2.737 1.00 1.33 C ATOM 55 OG1 THR A 4 -14.628 2.031 -3.961 1.00 1.44 O ATOM 56 CG2 THR A 4 -15.155 2.257 -1.678 1.00 1.79 C ATOM 0 H THR A 4 -12.985 3.198 -0.912 1.00 0.84 H new ATOM 0 HA THR A 4 -12.680 3.708 -3.703 1.00 1.05 H new ATOM 0 HB THR A 4 -13.279 1.589 -2.441 1.00 1.33 H new ATOM 0 HG1 THR A 4 -14.925 2.867 -4.378 1.00 1.44 H new ATOM 0 HG21 THR A 4 -15.585 1.256 -1.649 1.00 1.79 H new ATOM 0 HG22 THR A 4 -14.738 2.501 -0.701 1.00 1.79 H new ATOM 0 HG23 THR A 4 -15.932 2.978 -1.931 1.00 1.79 H new ATOM 64 N ASP A 5 -14.590 5.731 -2.203 1.00 1.00 N ATOM 65 CA ASP A 5 -15.512 6.843 -2.353 1.00 1.07 C ATOM 66 C ASP A 5 -14.971 8.020 -1.538 1.00 1.24 C ATOM 67 O ASP A 5 -15.579 8.471 -0.569 1.00 2.14 O ATOM 68 CB ASP A 5 -16.915 6.396 -1.922 1.00 1.24 C ATOM 69 CG ASP A 5 -17.973 7.457 -2.199 1.00 1.55 C ATOM 70 OD1 ASP A 5 -17.667 8.398 -2.962 1.00 2.14 O ATOM 71 OD2 ASP A 5 -19.090 7.275 -1.668 1.00 2.64 O ATOM 0 H ASP A 5 -14.128 5.710 -1.294 1.00 1.00 H new ATOM 0 HA ASP A 5 -15.596 7.169 -3.390 1.00 1.07 H new ATOM 0 HB2 ASP A 5 -17.178 5.478 -2.448 1.00 1.24 H new ATOM 0 HB3 ASP A 5 -16.908 6.163 -0.857 1.00 1.24 H new ATOM 76 N VAL A 6 -13.765 8.467 -1.905 1.00 0.66 N ATOM 77 CA VAL A 6 -13.122 9.646 -1.325 1.00 0.69 C ATOM 78 C VAL A 6 -12.301 10.383 -2.384 1.00 0.63 C ATOM 79 O VAL A 6 -12.412 11.596 -2.535 1.00 0.66 O ATOM 80 CB VAL A 6 -12.316 9.274 -0.059 1.00 0.80 C ATOM 81 CG1 VAL A 6 -10.932 8.665 -0.323 1.00 1.80 C ATOM 82 CG2 VAL A 6 -12.138 10.498 0.844 1.00 1.62 C ATOM 0 H VAL A 6 -13.202 8.012 -2.624 1.00 0.66 H new ATOM 0 HA VAL A 6 -13.888 10.345 -0.990 1.00 0.69 H new ATOM 0 HB VAL A 6 -12.913 8.500 0.424 1.00 0.80 H new ATOM 0 HG11 VAL A 6 -10.447 8.439 0.627 1.00 1.80 H new ATOM 0 HG12 VAL A 6 -11.042 7.748 -0.902 1.00 1.80 H new ATOM 0 HG13 VAL A 6 -10.323 9.375 -0.882 1.00 1.80 H new ATOM 0 HG21 VAL A 6 -11.569 10.217 1.730 1.00 1.62 H new ATOM 0 HG22 VAL A 6 -11.603 11.276 0.300 1.00 1.62 H new ATOM 0 HG23 VAL A 6 -13.116 10.873 1.145 1.00 1.62 H new ATOM 92 N LEU A 7 -11.479 9.628 -3.116 1.00 0.60 N ATOM 93 CA LEU A 7 -10.529 10.109 -4.114 1.00 0.59 C ATOM 94 C LEU A 7 -9.847 8.872 -4.697 1.00 0.56 C ATOM 95 O LEU A 7 -9.826 8.678 -5.910 1.00 0.47 O ATOM 96 CB LEU A 7 -9.543 11.116 -3.477 1.00 0.68 C ATOM 97 CG LEU A 7 -8.200 11.314 -4.214 1.00 0.75 C ATOM 98 CD1 LEU A 7 -7.863 12.803 -4.359 1.00 1.20 C ATOM 99 CD2 LEU A 7 -7.053 10.666 -3.426 1.00 1.36 C ATOM 0 H LEU A 7 -11.459 8.613 -3.022 1.00 0.60 H new ATOM 0 HA LEU A 7 -11.017 10.659 -4.919 1.00 0.59 H new ATOM 0 HB2 LEU A 7 -10.040 12.083 -3.405 1.00 0.68 H new ATOM 0 HB3 LEU A 7 -9.330 10.790 -2.459 1.00 0.68 H new ATOM 0 HG LEU A 7 -8.307 10.853 -5.196 1.00 0.75 H new ATOM 0 HD11 LEU A 7 -6.913 12.912 -4.881 1.00 1.20 H new ATOM 0 HD12 LEU A 7 -8.649 13.300 -4.928 1.00 1.20 H new ATOM 0 HD13 LEU A 7 -7.788 13.257 -3.371 1.00 1.20 H new ATOM 0 HD21 LEU A 7 -6.115 10.815 -3.960 1.00 1.36 H new ATOM 0 HD22 LEU A 7 -6.986 11.124 -2.439 1.00 1.36 H new ATOM 0 HD23 LEU A 7 -7.243 9.598 -3.318 1.00 1.36 H new ATOM 111 N SER A 8 -9.379 7.993 -3.807 1.00 0.70 N ATOM 112 CA SER A 8 -8.540 6.856 -4.126 1.00 0.72 C ATOM 113 C SER A 8 -9.049 5.951 -5.252 1.00 0.67 C ATOM 114 O SER A 8 -8.253 5.267 -5.878 1.00 0.67 O ATOM 115 CB SER A 8 -8.259 6.076 -2.846 1.00 0.83 C ATOM 116 OG SER A 8 -8.018 6.995 -1.794 1.00 0.94 O ATOM 0 H SER A 8 -9.587 8.064 -2.811 1.00 0.70 H new ATOM 0 HA SER A 8 -7.615 7.260 -4.538 1.00 0.72 H new ATOM 0 HB2 SER A 8 -9.106 5.436 -2.601 1.00 0.83 H new ATOM 0 HB3 SER A 8 -7.396 5.424 -2.983 1.00 0.83 H new ATOM 0 HG SER A 8 -7.838 6.504 -0.965 1.00 0.94 H new ATOM 122 N ALA A 9 -10.352 5.923 -5.535 1.00 0.65 N ATOM 123 CA ALA A 9 -10.866 5.213 -6.700 1.00 0.62 C ATOM 124 C ALA A 9 -10.176 5.653 -8.002 1.00 0.57 C ATOM 125 O ALA A 9 -9.851 4.824 -8.851 1.00 0.61 O ATOM 126 CB ALA A 9 -12.376 5.429 -6.790 1.00 0.71 C ATOM 0 H ALA A 9 -11.067 6.384 -4.973 1.00 0.65 H new ATOM 0 HA ALA A 9 -10.649 4.152 -6.576 1.00 0.62 H new ATOM 0 HB1 ALA A 9 -12.768 4.901 -7.659 1.00 0.71 H new ATOM 0 HB2 ALA A 9 -12.853 5.046 -5.888 1.00 0.71 H new ATOM 0 HB3 ALA A 9 -12.586 6.494 -6.888 1.00 0.71 H new ATOM 132 N ASP A 10 -9.942 6.956 -8.166 1.00 0.54 N ATOM 133 CA ASP A 10 -9.265 7.464 -9.353 1.00 0.56 C ATOM 134 C ASP A 10 -7.766 7.145 -9.277 1.00 0.61 C ATOM 135 O ASP A 10 -7.139 6.762 -10.269 1.00 0.68 O ATOM 136 CB ASP A 10 -9.543 8.963 -9.490 1.00 0.64 C ATOM 137 CG ASP A 10 -9.223 9.446 -10.898 1.00 0.72 C ATOM 138 OD1 ASP A 10 -10.080 9.211 -11.777 1.00 1.97 O ATOM 139 OD2 ASP A 10 -8.143 10.047 -11.068 1.00 1.60 O ATOM 0 H ASP A 10 -10.211 7.674 -7.493 1.00 0.54 H new ATOM 0 HA ASP A 10 -9.648 6.975 -10.249 1.00 0.56 H new ATOM 0 HB2 ASP A 10 -10.589 9.166 -9.260 1.00 0.64 H new ATOM 0 HB3 ASP A 10 -8.944 9.516 -8.766 1.00 0.64 H new ATOM 144 N ASP A 11 -7.205 7.221 -8.064 1.00 0.65 N ATOM 145 CA ASP A 11 -5.802 6.938 -7.790 1.00 0.73 C ATOM 146 C ASP A 11 -5.495 5.532 -8.279 1.00 0.57 C ATOM 147 O ASP A 11 -4.532 5.288 -9.011 1.00 0.60 O ATOM 148 CB ASP A 11 -5.507 6.955 -6.279 1.00 0.97 C ATOM 149 CG ASP A 11 -5.609 8.291 -5.564 1.00 1.58 C ATOM 150 OD1 ASP A 11 -6.450 9.112 -5.986 1.00 2.05 O ATOM 151 OD2 ASP A 11 -4.920 8.404 -4.525 1.00 2.84 O ATOM 0 H ASP A 11 -7.731 7.487 -7.231 1.00 0.65 H new ATOM 0 HA ASP A 11 -5.201 7.698 -8.288 1.00 0.73 H new ATOM 0 HB2 ASP A 11 -6.192 6.260 -5.794 1.00 0.97 H new ATOM 0 HB3 ASP A 11 -4.499 6.568 -6.128 1.00 0.97 H new ATOM 156 N ILE A 12 -6.313 4.581 -7.819 1.00 0.54 N ATOM 157 CA ILE A 12 -6.108 3.204 -8.150 1.00 0.56 C ATOM 158 C ILE A 12 -6.254 2.998 -9.652 1.00 0.63 C ATOM 159 O ILE A 12 -5.454 2.274 -10.226 1.00 0.72 O ATOM 160 CB ILE A 12 -6.970 2.265 -7.304 1.00 0.65 C ATOM 161 CG1 ILE A 12 -8.477 2.381 -7.553 1.00 0.68 C ATOM 162 CG2 ILE A 12 -6.584 2.360 -5.821 1.00 0.70 C ATOM 163 CD1 ILE A 12 -9.316 1.361 -6.780 1.00 0.90 C ATOM 0 H ILE A 12 -7.118 4.759 -7.218 1.00 0.54 H new ATOM 0 HA ILE A 12 -5.084 2.932 -7.893 1.00 0.56 H new ATOM 0 HB ILE A 12 -6.743 1.254 -7.641 1.00 0.65 H new ATOM 0 HG12 ILE A 12 -8.803 3.385 -7.282 1.00 0.68 H new ATOM 0 HG13 ILE A 12 -8.669 2.261 -8.619 1.00 0.68 H new ATOM 0 HG21 ILE A 12 -7.210 1.684 -5.238 1.00 0.70 H new ATOM 0 HG22 ILE A 12 -5.537 2.082 -5.699 1.00 0.70 H new ATOM 0 HG23 ILE A 12 -6.731 3.382 -5.472 1.00 0.70 H new ATOM 0 HD11 ILE A 12 -10.371 1.509 -7.010 1.00 0.90 H new ATOM 0 HD12 ILE A 12 -9.019 0.353 -7.068 1.00 0.90 H new ATOM 0 HD13 ILE A 12 -9.156 1.494 -5.710 1.00 0.90 H new ATOM 175 N ALA A 13 -7.220 3.654 -10.306 1.00 0.66 N ATOM 176 CA ALA A 13 -7.364 3.581 -11.756 1.00 0.80 C ATOM 177 C ALA A 13 -6.041 3.918 -12.457 1.00 0.80 C ATOM 178 O ALA A 13 -5.618 3.190 -13.357 1.00 0.90 O ATOM 179 CB ALA A 13 -8.510 4.476 -12.237 1.00 0.90 C ATOM 0 H ALA A 13 -7.915 4.243 -9.847 1.00 0.66 H new ATOM 0 HA ALA A 13 -7.619 2.556 -12.024 1.00 0.80 H new ATOM 0 HB1 ALA A 13 -8.597 4.404 -13.321 1.00 0.90 H new ATOM 0 HB2 ALA A 13 -9.443 4.152 -11.776 1.00 0.90 H new ATOM 0 HB3 ALA A 13 -8.307 5.510 -11.957 1.00 0.90 H new ATOM 185 N ALA A 14 -5.361 4.989 -12.028 1.00 0.74 N ATOM 186 CA ALA A 14 -4.035 5.309 -12.549 1.00 0.78 C ATOM 187 C ALA A 14 -3.051 4.163 -12.285 1.00 0.71 C ATOM 188 O ALA A 14 -2.495 3.589 -13.225 1.00 0.76 O ATOM 189 CB ALA A 14 -3.525 6.633 -11.970 1.00 0.79 C ATOM 0 H ALA A 14 -5.708 5.642 -11.326 1.00 0.74 H new ATOM 0 HA ALA A 14 -4.114 5.431 -13.629 1.00 0.78 H new ATOM 0 HB1 ALA A 14 -2.536 6.849 -12.373 1.00 0.79 H new ATOM 0 HB2 ALA A 14 -4.211 7.436 -12.240 1.00 0.79 H new ATOM 0 HB3 ALA A 14 -3.465 6.556 -10.884 1.00 0.79 H new ATOM 195 N ALA A 15 -2.844 3.815 -11.008 1.00 0.60 N ATOM 196 CA ALA A 15 -1.933 2.755 -10.587 1.00 0.53 C ATOM 197 C ALA A 15 -2.136 1.471 -11.397 1.00 0.66 C ATOM 198 O ALA A 15 -1.177 0.846 -11.849 1.00 0.67 O ATOM 199 CB ALA A 15 -2.107 2.488 -9.090 1.00 0.46 C ATOM 0 H ALA A 15 -3.316 4.274 -10.229 1.00 0.60 H new ATOM 0 HA ALA A 15 -0.913 3.091 -10.775 1.00 0.53 H new ATOM 0 HB1 ALA A 15 -1.425 1.696 -8.780 1.00 0.46 H new ATOM 0 HB2 ALA A 15 -1.886 3.397 -8.530 1.00 0.46 H new ATOM 0 HB3 ALA A 15 -3.134 2.181 -8.892 1.00 0.46 H new ATOM 205 N LEU A 16 -3.402 1.102 -11.595 1.00 0.77 N ATOM 206 CA LEU A 16 -3.822 -0.088 -12.318 1.00 0.89 C ATOM 207 C LEU A 16 -3.222 -0.110 -13.724 1.00 0.94 C ATOM 208 O LEU A 16 -2.895 -1.177 -14.239 1.00 1.05 O ATOM 209 CB LEU A 16 -5.362 -0.178 -12.403 1.00 0.97 C ATOM 210 CG LEU A 16 -6.036 -1.219 -11.489 1.00 1.55 C ATOM 211 CD1 LEU A 16 -5.645 -2.652 -11.870 1.00 1.69 C ATOM 212 CD2 LEU A 16 -5.787 -0.974 -9.997 1.00 3.39 C ATOM 0 H LEU A 16 -4.188 1.647 -11.241 1.00 0.77 H new ATOM 0 HA LEU A 16 -3.456 -0.953 -11.764 1.00 0.89 H new ATOM 0 HB2 LEU A 16 -5.776 0.803 -12.168 1.00 0.97 H new ATOM 0 HB3 LEU A 16 -5.635 -0.400 -13.434 1.00 0.97 H new ATOM 0 HG LEU A 16 -7.106 -1.095 -11.654 1.00 1.55 H new ATOM 0 HD11 LEU A 16 -6.142 -3.355 -11.201 1.00 1.69 H new ATOM 0 HD12 LEU A 16 -5.950 -2.851 -12.897 1.00 1.69 H new ATOM 0 HD13 LEU A 16 -4.565 -2.770 -11.783 1.00 1.69 H new ATOM 0 HD21 LEU A 16 -6.291 -1.744 -9.413 1.00 3.39 H new ATOM 0 HD22 LEU A 16 -4.716 -1.008 -9.796 1.00 3.39 H new ATOM 0 HD23 LEU A 16 -6.177 0.005 -9.719 1.00 3.39 H new ATOM 224 N GLN A 17 -3.118 1.058 -14.363 1.00 0.93 N ATOM 225 CA GLN A 17 -2.588 1.165 -15.710 1.00 1.03 C ATOM 226 C GLN A 17 -1.071 1.317 -15.673 1.00 0.95 C ATOM 227 O GLN A 17 -0.383 0.748 -16.516 1.00 1.07 O ATOM 228 CB GLN A 17 -3.253 2.329 -16.456 1.00 1.15 C ATOM 229 CG GLN A 17 -2.908 2.308 -17.956 1.00 2.24 C ATOM 230 CD GLN A 17 -2.112 3.533 -18.393 1.00 3.57 C ATOM 231 OE1 GLN A 17 -2.616 4.372 -19.132 1.00 3.83 O ATOM 232 NE2 GLN A 17 -0.862 3.646 -17.957 1.00 5.20 N ATOM 0 H GLN A 17 -3.400 1.950 -13.956 1.00 0.93 H new ATOM 0 HA GLN A 17 -2.817 0.249 -16.254 1.00 1.03 H new ATOM 0 HB2 GLN A 17 -4.334 2.273 -16.329 1.00 1.15 H new ATOM 0 HB3 GLN A 17 -2.929 3.274 -16.020 1.00 1.15 H new ATOM 0 HG2 GLN A 17 -2.335 1.408 -18.180 1.00 2.24 H new ATOM 0 HG3 GLN A 17 -3.829 2.252 -18.536 1.00 2.24 H new ATOM 0 HE21 GLN A 17 -0.470 2.932 -17.343 1.00 5.20 H new ATOM 0 HE22 GLN A 17 -0.295 4.447 -18.236 1.00 5.20 H new ATOM 241 N GLU A 18 -0.544 2.138 -14.762 1.00 0.86 N ATOM 242 CA GLU A 18 0.884 2.433 -14.744 1.00 0.86 C ATOM 243 C GLU A 18 1.693 1.194 -14.341 1.00 0.84 C ATOM 244 O GLU A 18 2.745 0.931 -14.917 1.00 0.93 O ATOM 245 CB GLU A 18 1.152 3.713 -13.935 1.00 0.86 C ATOM 246 CG GLU A 18 1.259 3.540 -12.415 1.00 0.98 C ATOM 247 CD GLU A 18 2.688 3.519 -11.868 1.00 1.55 C ATOM 248 OE1 GLU A 18 3.570 4.184 -12.451 1.00 2.29 O ATOM 249 OE2 GLU A 18 2.875 2.823 -10.848 1.00 2.50 O ATOM 0 H GLU A 18 -1.083 2.606 -14.033 1.00 0.86 H new ATOM 0 HA GLU A 18 1.243 2.663 -15.747 1.00 0.86 H new ATOM 0 HB2 GLU A 18 2.079 4.159 -14.296 1.00 0.86 H new ATOM 0 HB3 GLU A 18 0.353 4.425 -14.144 1.00 0.86 H new ATOM 0 HG2 GLU A 18 0.713 4.350 -11.932 1.00 0.98 H new ATOM 0 HG3 GLU A 18 0.764 2.610 -12.134 1.00 0.98 H new ATOM 256 N CYS A 19 1.162 0.393 -13.409 1.00 0.78 N ATOM 257 CA CYS A 19 1.713 -0.900 -13.017 1.00 0.80 C ATOM 258 C CYS A 19 0.697 -1.981 -13.361 1.00 0.86 C ATOM 259 O CYS A 19 0.111 -2.601 -12.478 1.00 1.16 O ATOM 260 CB CYS A 19 2.062 -0.906 -11.528 1.00 0.89 C ATOM 261 SG CYS A 19 3.611 -0.004 -11.307 1.00 1.44 S ATOM 0 H CYS A 19 0.315 0.637 -12.896 1.00 0.78 H new ATOM 0 HA CYS A 19 2.638 -1.095 -13.560 1.00 0.80 H new ATOM 0 HB2 CYS A 19 1.265 -0.440 -10.949 1.00 0.89 H new ATOM 0 HB3 CYS A 19 2.163 -1.929 -11.165 1.00 0.89 H new ATOM 0 HG CYS A 19 3.354 1.215 -10.935 1.00 1.44 H new ATOM 267 N ARG A 20 0.488 -2.223 -14.657 1.00 0.71 N ATOM 268 CA ARG A 20 -0.465 -3.216 -15.132 1.00 0.88 C ATOM 269 C ARG A 20 0.230 -4.570 -15.246 1.00 0.89 C ATOM 270 O ARG A 20 -0.184 -5.531 -14.600 1.00 1.09 O ATOM 271 CB ARG A 20 -1.067 -2.735 -16.455 1.00 1.01 C ATOM 272 CG ARG A 20 -2.393 -3.421 -16.811 1.00 1.45 C ATOM 273 CD ARG A 20 -3.040 -2.685 -17.993 1.00 2.16 C ATOM 274 NE ARG A 20 -4.385 -3.206 -18.290 1.00 3.19 N ATOM 275 CZ ARG A 20 -5.302 -2.574 -19.045 1.00 4.21 C ATOM 276 NH1 ARG A 20 -4.999 -1.409 -19.630 1.00 4.67 N ATOM 277 NH2 ARG A 20 -6.517 -3.109 -19.212 1.00 5.30 N ATOM 0 H ARG A 20 0.978 -1.732 -15.405 1.00 0.71 H new ATOM 0 HA ARG A 20 -1.288 -3.341 -14.428 1.00 0.88 H new ATOM 0 HB2 ARG A 20 -1.227 -1.658 -16.402 1.00 1.01 H new ATOM 0 HB3 ARG A 20 -0.350 -2.911 -17.257 1.00 1.01 H new ATOM 0 HG2 ARG A 20 -2.218 -4.465 -17.069 1.00 1.45 H new ATOM 0 HG3 ARG A 20 -3.063 -3.413 -15.951 1.00 1.45 H new ATOM 0 HD2 ARG A 20 -3.104 -1.620 -17.768 1.00 2.16 H new ATOM 0 HD3 ARG A 20 -2.408 -2.787 -18.875 1.00 2.16 H new ATOM 0 HE ARG A 20 -4.640 -4.111 -17.895 1.00 3.19 H new ATOM 0 HH11 ARG A 20 -4.073 -1.000 -19.503 1.00 4.67 H new ATOM 0 HH12 ARG A 20 -5.694 -0.930 -20.202 1.00 4.67 H new ATOM 0 HH21 ARG A 20 -6.749 -3.997 -18.767 1.00 5.30 H new ATOM 0 HH22 ARG A 20 -7.211 -2.629 -19.785 1.00 5.30 H new ATOM 291 N ASP A 21 1.331 -4.634 -15.993 1.00 0.96 N ATOM 292 CA ASP A 21 2.163 -5.828 -16.139 1.00 1.03 C ATOM 293 C ASP A 21 2.717 -6.254 -14.779 1.00 1.07 C ATOM 294 O ASP A 21 3.083 -5.379 -14.005 1.00 0.94 O ATOM 295 CB ASP A 21 3.310 -5.598 -17.143 1.00 1.13 C ATOM 296 CG ASP A 21 3.704 -4.144 -17.338 1.00 1.48 C ATOM 297 OD1 ASP A 21 3.881 -3.474 -16.299 1.00 3.25 O ATOM 298 OD2 ASP A 21 3.749 -3.716 -18.509 1.00 1.93 O ATOM 0 H ASP A 21 1.678 -3.837 -16.527 1.00 0.96 H new ATOM 0 HA ASP A 21 1.537 -6.628 -16.533 1.00 1.03 H new ATOM 0 HB2 ASP A 21 4.185 -6.155 -16.808 1.00 1.13 H new ATOM 0 HB3 ASP A 21 3.018 -6.013 -18.108 1.00 1.13 H new ATOM 303 N PRO A 22 2.745 -7.555 -14.441 1.00 1.40 N ATOM 304 CA PRO A 22 3.191 -8.038 -13.140 1.00 1.52 C ATOM 305 C PRO A 22 4.708 -7.898 -12.985 1.00 1.31 C ATOM 306 O PRO A 22 5.438 -8.011 -13.966 1.00 1.71 O ATOM 307 CB PRO A 22 2.769 -9.508 -13.087 1.00 2.17 C ATOM 308 CG PRO A 22 2.824 -9.929 -14.556 1.00 2.32 C ATOM 309 CD PRO A 22 2.352 -8.670 -15.287 1.00 1.84 C ATOM 0 HA PRO A 22 2.752 -7.460 -12.327 1.00 1.52 H new ATOM 0 HB2 PRO A 22 3.445 -10.101 -12.471 1.00 2.17 H new ATOM 0 HB3 PRO A 22 1.769 -9.627 -12.669 1.00 2.17 H new ATOM 0 HG2 PRO A 22 3.831 -10.218 -14.857 1.00 2.32 H new ATOM 0 HG3 PRO A 22 2.175 -10.781 -14.757 1.00 2.32 H new ATOM 0 HD2 PRO A 22 2.811 -8.594 -16.273 1.00 1.84 H new ATOM 0 HD3 PRO A 22 1.273 -8.686 -15.438 1.00 1.84 H new ATOM 317 N ASP A 23 5.151 -7.669 -11.744 1.00 1.01 N ATOM 318 CA ASP A 23 6.540 -7.512 -11.311 1.00 0.90 C ATOM 319 C ASP A 23 7.038 -6.073 -11.542 1.00 0.79 C ATOM 320 O ASP A 23 8.197 -5.756 -11.290 1.00 0.96 O ATOM 321 CB ASP A 23 7.444 -8.618 -11.886 1.00 1.25 C ATOM 322 CG ASP A 23 8.606 -8.970 -10.965 1.00 1.23 C ATOM 323 OD1 ASP A 23 8.312 -9.462 -9.850 1.00 2.20 O ATOM 324 OD2 ASP A 23 9.764 -8.816 -11.408 1.00 2.45 O ATOM 0 H ASP A 23 4.501 -7.583 -10.963 1.00 1.01 H new ATOM 0 HA ASP A 23 6.591 -7.655 -10.232 1.00 0.90 H new ATOM 0 HB2 ASP A 23 6.847 -9.511 -12.067 1.00 1.25 H new ATOM 0 HB3 ASP A 23 7.836 -8.296 -12.851 1.00 1.25 H new ATOM 329 N THR A 24 6.146 -5.185 -12.002 1.00 0.71 N ATOM 330 CA THR A 24 6.449 -3.796 -12.319 1.00 0.64 C ATOM 331 C THR A 24 6.326 -2.859 -11.097 1.00 0.55 C ATOM 332 O THR A 24 6.627 -1.670 -11.209 1.00 0.70 O ATOM 333 CB THR A 24 5.570 -3.358 -13.512 1.00 0.65 C ATOM 334 OG1 THR A 24 5.672 -4.332 -14.525 1.00 0.78 O ATOM 335 CG2 THR A 24 5.992 -2.021 -14.133 1.00 0.70 C ATOM 0 H THR A 24 5.169 -5.427 -12.166 1.00 0.71 H new ATOM 0 HA THR A 24 7.497 -3.718 -12.609 1.00 0.64 H new ATOM 0 HB THR A 24 4.558 -3.244 -13.123 1.00 0.65 H new ATOM 0 HG1 THR A 24 4.924 -4.233 -15.150 1.00 0.78 H new ATOM 0 HG21 THR A 24 5.329 -1.780 -14.964 1.00 0.70 H new ATOM 0 HG22 THR A 24 5.931 -1.235 -13.380 1.00 0.70 H new ATOM 0 HG23 THR A 24 7.017 -2.096 -14.497 1.00 0.70 H new ATOM 343 N PHE A 25 5.832 -3.321 -9.937 1.00 0.50 N ATOM 344 CA PHE A 25 5.219 -2.410 -8.972 1.00 0.53 C ATOM 345 C PHE A 25 6.235 -1.764 -8.021 1.00 0.61 C ATOM 346 O PHE A 25 6.411 -2.198 -6.882 1.00 1.25 O ATOM 347 CB PHE A 25 4.070 -3.112 -8.233 1.00 0.79 C ATOM 348 CG PHE A 25 2.893 -2.280 -7.735 1.00 1.16 C ATOM 349 CD1 PHE A 25 2.693 -0.951 -8.157 1.00 2.30 C ATOM 350 CD2 PHE A 25 1.836 -2.948 -7.089 1.00 2.43 C ATOM 351 CE1 PHE A 25 1.410 -0.381 -8.127 1.00 2.91 C ATOM 352 CE2 PHE A 25 0.557 -2.369 -7.032 1.00 2.99 C ATOM 353 CZ PHE A 25 0.336 -1.095 -7.575 1.00 2.75 C ATOM 0 H PHE A 25 5.846 -4.301 -9.653 1.00 0.50 H new ATOM 0 HA PHE A 25 4.796 -1.575 -9.531 1.00 0.53 H new ATOM 0 HB2 PHE A 25 3.673 -3.880 -8.897 1.00 0.79 H new ATOM 0 HB3 PHE A 25 4.498 -3.625 -7.372 1.00 0.79 H new ATOM 0 HD1 PHE A 25 3.532 -0.367 -8.506 1.00 2.30 H new ATOM 0 HD2 PHE A 25 2.009 -3.912 -6.634 1.00 2.43 H new ATOM 0 HE1 PHE A 25 1.250 0.608 -8.529 1.00 2.91 H new ATOM 0 HE2 PHE A 25 -0.258 -2.906 -6.569 1.00 2.99 H new ATOM 0 HZ PHE A 25 -0.655 -0.666 -7.568 1.00 2.75 H new ATOM 363 N GLU A 26 6.884 -0.685 -8.468 1.00 0.54 N ATOM 364 CA GLU A 26 7.793 0.083 -7.629 1.00 0.51 C ATOM 365 C GLU A 26 7.025 0.748 -6.479 1.00 0.52 C ATOM 366 O GLU A 26 5.939 1.293 -6.696 1.00 0.50 O ATOM 367 CB GLU A 26 8.515 1.171 -8.435 1.00 0.53 C ATOM 368 CG GLU A 26 9.912 0.774 -8.913 1.00 0.71 C ATOM 369 CD GLU A 26 10.678 2.031 -9.295 1.00 1.29 C ATOM 370 OE1 GLU A 26 10.549 2.450 -10.466 1.00 2.19 O ATOM 371 OE2 GLU A 26 11.298 2.615 -8.385 1.00 2.15 O ATOM 0 H GLU A 26 6.791 -0.325 -9.418 1.00 0.54 H new ATOM 0 HA GLU A 26 8.532 -0.612 -7.231 1.00 0.51 H new ATOM 0 HB2 GLU A 26 7.907 1.429 -9.302 1.00 0.53 H new ATOM 0 HB3 GLU A 26 8.594 2.069 -7.822 1.00 0.53 H new ATOM 0 HG2 GLU A 26 10.440 0.235 -8.127 1.00 0.71 H new ATOM 0 HG3 GLU A 26 9.841 0.102 -9.768 1.00 0.71 H new ATOM 378 N PRO A 27 7.600 0.770 -5.268 1.00 0.58 N ATOM 379 CA PRO A 27 6.933 1.300 -4.097 1.00 0.64 C ATOM 380 C PRO A 27 6.744 2.817 -4.196 1.00 0.53 C ATOM 381 O PRO A 27 5.610 3.289 -4.226 1.00 0.43 O ATOM 382 CB PRO A 27 7.790 0.877 -2.897 1.00 0.80 C ATOM 383 CG PRO A 27 9.175 0.609 -3.490 1.00 0.83 C ATOM 384 CD PRO A 27 8.888 0.191 -4.928 1.00 0.70 C ATOM 0 HA PRO A 27 5.922 0.907 -3.994 1.00 0.64 H new ATOM 0 HB2 PRO A 27 7.827 1.661 -2.140 1.00 0.80 H new ATOM 0 HB3 PRO A 27 7.386 -0.013 -2.415 1.00 0.80 H new ATOM 0 HG2 PRO A 27 9.804 1.498 -3.451 1.00 0.83 H new ATOM 0 HG3 PRO A 27 9.698 -0.176 -2.943 1.00 0.83 H new ATOM 0 HD2 PRO A 27 9.666 0.551 -5.601 1.00 0.70 H new ATOM 0 HD3 PRO A 27 8.863 -0.895 -5.020 1.00 0.70 H new ATOM 392 N GLN A 28 7.838 3.587 -4.248 1.00 0.59 N ATOM 393 CA GLN A 28 7.813 5.030 -4.354 1.00 0.59 C ATOM 394 C GLN A 28 6.964 5.476 -5.553 1.00 0.52 C ATOM 395 O GLN A 28 6.164 6.407 -5.446 1.00 0.54 O ATOM 396 CB GLN A 28 9.263 5.543 -4.447 1.00 0.75 C ATOM 397 CG GLN A 28 9.387 6.794 -3.582 1.00 1.07 C ATOM 398 CD GLN A 28 10.634 7.629 -3.880 1.00 1.46 C ATOM 399 OE1 GLN A 28 11.093 7.690 -5.015 1.00 2.70 O ATOM 400 NE2 GLN A 28 11.194 8.286 -2.869 1.00 1.55 N ATOM 0 H GLN A 28 8.782 3.203 -4.216 1.00 0.59 H new ATOM 0 HA GLN A 28 7.346 5.461 -3.469 1.00 0.59 H new ATOM 0 HB2 GLN A 28 9.959 4.776 -4.107 1.00 0.75 H new ATOM 0 HB3 GLN A 28 9.519 5.770 -5.482 1.00 0.75 H new ATOM 0 HG2 GLN A 28 8.502 7.414 -3.727 1.00 1.07 H new ATOM 0 HG3 GLN A 28 9.401 6.499 -2.533 1.00 1.07 H new ATOM 0 HE21 GLN A 28 10.793 8.219 -1.933 1.00 1.55 H new ATOM 0 HE22 GLN A 28 12.024 8.857 -3.029 1.00 1.55 H new ATOM 409 N LYS A 29 7.126 4.780 -6.683 1.00 0.49 N ATOM 410 CA LYS A 29 6.322 5.003 -7.874 1.00 0.40 C ATOM 411 C LYS A 29 4.839 4.897 -7.522 1.00 0.39 C ATOM 412 O LYS A 29 4.104 5.867 -7.671 1.00 0.43 O ATOM 413 CB LYS A 29 6.693 3.995 -8.970 1.00 0.44 C ATOM 414 CG LYS A 29 6.047 4.360 -10.317 1.00 0.54 C ATOM 415 CD LYS A 29 7.106 4.850 -11.311 1.00 1.37 C ATOM 416 CE LYS A 29 7.824 3.654 -11.963 1.00 3.05 C ATOM 417 NZ LYS A 29 9.274 3.868 -12.120 1.00 4.51 N ATOM 0 H LYS A 29 7.824 4.044 -6.791 1.00 0.49 H new ATOM 0 HA LYS A 29 6.522 6.004 -8.256 1.00 0.40 H new ATOM 0 HB2 LYS A 29 7.777 3.962 -9.083 1.00 0.44 H new ATOM 0 HB3 LYS A 29 6.373 2.997 -8.671 1.00 0.44 H new ATOM 0 HG2 LYS A 29 5.532 3.491 -10.726 1.00 0.54 H new ATOM 0 HG3 LYS A 29 5.295 5.135 -10.167 1.00 0.54 H new ATOM 0 HD2 LYS A 29 6.636 5.463 -12.080 1.00 1.37 H new ATOM 0 HD3 LYS A 29 7.831 5.482 -10.798 1.00 1.37 H new ATOM 0 HE2 LYS A 29 7.657 2.763 -11.357 1.00 3.05 H new ATOM 0 HE3 LYS A 29 7.383 3.462 -12.941 1.00 3.05 H new ATOM 0 HZ1 LYS A 29 9.614 3.345 -12.952 1.00 4.51 H new ATOM 0 HZ2 LYS A 29 9.463 4.883 -12.248 1.00 4.51 H new ATOM 0 HZ3 LYS A 29 9.769 3.528 -11.271 1.00 4.51 H new ATOM 431 N PHE A 30 4.407 3.724 -7.050 1.00 0.42 N ATOM 432 CA PHE A 30 3.014 3.454 -6.727 1.00 0.48 C ATOM 433 C PHE A 30 2.465 4.507 -5.763 1.00 0.51 C ATOM 434 O PHE A 30 1.456 5.166 -6.015 1.00 0.66 O ATOM 435 CB PHE A 30 2.923 2.053 -6.112 1.00 0.49 C ATOM 436 CG PHE A 30 1.577 1.718 -5.502 1.00 0.59 C ATOM 437 CD1 PHE A 30 0.388 2.073 -6.169 1.00 2.10 C ATOM 438 CD2 PHE A 30 1.516 1.194 -4.198 1.00 1.87 C ATOM 439 CE1 PHE A 30 -0.847 1.957 -5.514 1.00 2.16 C ATOM 440 CE2 PHE A 30 0.285 1.125 -3.527 1.00 2.13 C ATOM 441 CZ PHE A 30 -0.893 1.532 -4.177 1.00 1.30 C ATOM 0 H PHE A 30 5.026 2.931 -6.882 1.00 0.42 H new ATOM 0 HA PHE A 30 2.410 3.499 -7.634 1.00 0.48 H new ATOM 0 HB2 PHE A 30 3.151 1.317 -6.883 1.00 0.49 H new ATOM 0 HB3 PHE A 30 3.690 1.958 -5.343 1.00 0.49 H new ATOM 0 HD1 PHE A 30 0.427 2.435 -7.186 1.00 2.10 H new ATOM 0 HD2 PHE A 30 2.416 0.845 -3.713 1.00 1.87 H new ATOM 0 HE1 PHE A 30 -1.761 2.194 -6.038 1.00 2.16 H new ATOM 0 HE2 PHE A 30 0.243 0.759 -2.512 1.00 2.13 H new ATOM 0 HZ PHE A 30 -1.834 1.518 -3.647 1.00 1.30 H new ATOM 451 N PHE A 31 3.175 4.675 -4.652 1.00 0.49 N ATOM 452 CA PHE A 31 2.916 5.677 -3.636 1.00 0.51 C ATOM 453 C PHE A 31 2.509 7.028 -4.255 1.00 0.51 C ATOM 454 O PHE A 31 1.437 7.573 -3.964 1.00 0.62 O ATOM 455 CB PHE A 31 4.190 5.757 -2.784 1.00 0.73 C ATOM 456 CG PHE A 31 4.363 7.037 -2.020 1.00 1.54 C ATOM 457 CD1 PHE A 31 3.296 7.500 -1.245 1.00 2.67 C ATOM 458 CD2 PHE A 31 5.510 7.834 -2.191 1.00 3.13 C ATOM 459 CE1 PHE A 31 3.378 8.758 -0.644 1.00 4.19 C ATOM 460 CE2 PHE A 31 5.641 9.029 -1.467 1.00 4.50 C ATOM 461 CZ PHE A 31 4.599 9.445 -0.625 1.00 4.77 C ATOM 0 H PHE A 31 3.980 4.089 -4.430 1.00 0.49 H new ATOM 0 HA PHE A 31 2.065 5.405 -3.011 1.00 0.51 H new ATOM 0 HB2 PHE A 31 4.189 4.927 -2.077 1.00 0.73 H new ATOM 0 HB3 PHE A 31 5.054 5.621 -3.435 1.00 0.73 H new ATOM 0 HD1 PHE A 31 2.415 6.890 -1.112 1.00 2.67 H new ATOM 0 HD2 PHE A 31 6.286 7.527 -2.876 1.00 3.13 H new ATOM 0 HE1 PHE A 31 2.501 9.201 -0.194 1.00 4.19 H new ATOM 0 HE2 PHE A 31 6.538 9.624 -1.557 1.00 4.50 H new ATOM 0 HZ PHE A 31 4.737 10.290 0.034 1.00 4.77 H new ATOM 471 N GLN A 32 3.367 7.561 -5.128 1.00 0.49 N ATOM 472 CA GLN A 32 3.148 8.827 -5.793 1.00 0.66 C ATOM 473 C GLN A 32 2.022 8.699 -6.817 1.00 0.77 C ATOM 474 O GLN A 32 1.219 9.619 -6.943 1.00 1.10 O ATOM 475 CB GLN A 32 4.447 9.292 -6.465 1.00 0.80 C ATOM 476 CG GLN A 32 4.368 10.780 -6.842 1.00 1.39 C ATOM 477 CD GLN A 32 5.368 11.143 -7.932 1.00 1.74 C ATOM 478 OE1 GLN A 32 6.369 11.804 -7.679 1.00 2.38 O ATOM 479 NE2 GLN A 32 5.093 10.729 -9.166 1.00 2.59 N ATOM 0 H GLN A 32 4.244 7.110 -5.390 1.00 0.49 H new ATOM 0 HA GLN A 32 2.852 9.573 -5.055 1.00 0.66 H new ATOM 0 HB2 GLN A 32 5.288 9.128 -5.792 1.00 0.80 H new ATOM 0 HB3 GLN A 32 4.632 8.696 -7.358 1.00 0.80 H new ATOM 0 HG2 GLN A 32 3.359 11.016 -7.181 1.00 1.39 H new ATOM 0 HG3 GLN A 32 4.557 11.389 -5.958 1.00 1.39 H new ATOM 0 HE21 GLN A 32 4.252 10.180 -9.344 1.00 2.59 H new ATOM 0 HE22 GLN A 32 5.723 10.960 -9.934 1.00 2.59 H new ATOM 488 N THR A 33 1.975 7.599 -7.577 1.00 0.61 N ATOM 489 CA THR A 33 1.079 7.472 -8.701 1.00 0.82 C ATOM 490 C THR A 33 -0.365 7.507 -8.248 1.00 1.08 C ATOM 491 O THR A 33 -1.199 8.069 -8.952 1.00 1.46 O ATOM 492 CB THR A 33 1.356 6.224 -9.557 1.00 0.63 C ATOM 493 OG1 THR A 33 0.896 6.608 -10.818 1.00 0.60 O ATOM 494 CG2 THR A 33 0.556 4.969 -9.180 1.00 0.53 C ATOM 0 H THR A 33 2.562 6.780 -7.419 1.00 0.61 H new ATOM 0 HA THR A 33 1.267 8.333 -9.343 1.00 0.82 H new ATOM 0 HB THR A 33 2.406 5.950 -9.454 1.00 0.63 H new ATOM 0 HG1 THR A 33 1.585 6.420 -11.489 1.00 0.60 H new ATOM 0 HG21 THR A 33 0.829 4.150 -9.846 1.00 0.53 H new ATOM 0 HG22 THR A 33 0.781 4.690 -8.151 1.00 0.53 H new ATOM 0 HG23 THR A 33 -0.510 5.175 -9.276 1.00 0.53 H new ATOM 502 N SER A 34 -0.657 6.883 -7.105 1.00 0.97 N ATOM 503 CA SER A 34 -1.962 7.040 -6.509 1.00 1.45 C ATOM 504 C SER A 34 -2.158 8.529 -6.205 1.00 1.97 C ATOM 505 O SER A 34 -3.077 9.164 -6.709 1.00 3.33 O ATOM 506 CB SER A 34 -2.052 6.186 -5.239 1.00 1.61 C ATOM 507 OG SER A 34 -2.121 4.822 -5.602 1.00 1.84 O ATOM 0 H SER A 34 -0.015 6.279 -6.591 1.00 0.97 H new ATOM 0 HA SER A 34 -2.750 6.704 -7.183 1.00 1.45 H new ATOM 0 HB2 SER A 34 -1.183 6.363 -4.605 1.00 1.61 H new ATOM 0 HB3 SER A 34 -2.932 6.466 -4.659 1.00 1.61 H new ATOM 0 HG SER A 34 -1.339 4.349 -5.247 1.00 1.84 H new ATOM 513 N GLY A 35 -1.236 9.087 -5.415 1.00 1.17 N ATOM 514 CA GLY A 35 -1.313 10.437 -4.887 1.00 1.50 C ATOM 515 C GLY A 35 -1.391 10.405 -3.364 1.00 1.18 C ATOM 516 O GLY A 35 -1.771 11.393 -2.737 1.00 1.09 O ATOM 0 H GLY A 35 -0.394 8.591 -5.121 1.00 1.17 H new ATOM 0 HA2 GLY A 35 -0.440 11.008 -5.201 1.00 1.50 H new ATOM 0 HA3 GLY A 35 -2.189 10.944 -5.292 1.00 1.50 H new ATOM 520 N LEU A 36 -0.957 9.307 -2.732 1.00 1.11 N ATOM 521 CA LEU A 36 -0.925 9.238 -1.283 1.00 1.03 C ATOM 522 C LEU A 36 0.096 10.249 -0.742 1.00 0.97 C ATOM 523 O LEU A 36 -0.069 10.738 0.368 1.00 0.95 O ATOM 524 CB LEU A 36 -0.621 7.811 -0.817 1.00 0.97 C ATOM 525 CG LEU A 36 -1.603 6.735 -1.318 1.00 1.21 C ATOM 526 CD1 LEU A 36 -0.822 5.501 -1.787 1.00 1.89 C ATOM 527 CD2 LEU A 36 -2.569 6.316 -0.202 1.00 1.19 C ATOM 0 H LEU A 36 -0.628 8.466 -3.205 1.00 1.11 H new ATOM 0 HA LEU A 36 -1.905 9.501 -0.885 1.00 1.03 H new ATOM 0 HB2 LEU A 36 0.384 7.545 -1.146 1.00 0.97 H new ATOM 0 HB3 LEU A 36 -0.615 7.795 0.273 1.00 0.97 H new ATOM 0 HG LEU A 36 -2.176 7.155 -2.145 1.00 1.21 H new ATOM 0 HD11 LEU A 36 -1.519 4.742 -2.141 1.00 1.89 H new ATOM 0 HD12 LEU A 36 -0.150 5.782 -2.598 1.00 1.89 H new ATOM 0 HD13 LEU A 36 -0.241 5.101 -0.956 1.00 1.89 H new ATOM 0 HD21 LEU A 36 -3.253 5.556 -0.579 1.00 1.19 H new ATOM 0 HD22 LEU A 36 -2.003 5.911 0.636 1.00 1.19 H new ATOM 0 HD23 LEU A 36 -3.139 7.184 0.131 1.00 1.19 H new ATOM 539 N SER A 37 1.102 10.632 -1.547 1.00 0.99 N ATOM 540 CA SER A 37 2.052 11.700 -1.197 1.00 1.03 C ATOM 541 C SER A 37 1.322 13.042 -1.063 1.00 1.03 C ATOM 542 O SER A 37 1.850 13.992 -0.487 1.00 1.15 O ATOM 543 CB SER A 37 3.153 11.793 -2.276 1.00 1.22 C ATOM 544 OG SER A 37 4.212 12.674 -1.921 1.00 2.43 O ATOM 0 H SER A 37 1.279 10.209 -2.458 1.00 0.99 H new ATOM 0 HA SER A 37 2.513 11.463 -0.238 1.00 1.03 H new ATOM 0 HB2 SER A 37 3.561 10.799 -2.456 1.00 1.22 H new ATOM 0 HB3 SER A 37 2.708 12.129 -3.212 1.00 1.22 H new ATOM 0 HG SER A 37 4.856 12.200 -1.354 1.00 2.43 H new ATOM 550 N LYS A 38 0.112 13.146 -1.626 1.00 0.96 N ATOM 551 CA LYS A 38 -0.715 14.329 -1.520 1.00 0.99 C ATOM 552 C LYS A 38 -1.686 14.184 -0.352 1.00 0.81 C ATOM 553 O LYS A 38 -2.101 15.192 0.219 1.00 0.84 O ATOM 554 CB LYS A 38 -1.433 14.600 -2.851 1.00 1.18 C ATOM 555 CG LYS A 38 -1.175 16.024 -3.370 1.00 1.42 C ATOM 556 CD LYS A 38 0.276 16.215 -3.854 1.00 2.67 C ATOM 557 CE LYS A 38 1.092 17.168 -2.961 1.00 3.85 C ATOM 558 NZ LYS A 38 2.511 17.231 -3.372 1.00 5.52 N ATOM 0 H LYS A 38 -0.315 12.397 -2.171 1.00 0.96 H new ATOM 0 HA LYS A 38 -0.088 15.196 -1.315 1.00 0.99 H new ATOM 0 HB2 LYS A 38 -1.099 13.878 -3.596 1.00 1.18 H new ATOM 0 HB3 LYS A 38 -2.505 14.451 -2.721 1.00 1.18 H new ATOM 0 HG2 LYS A 38 -1.861 16.240 -4.189 1.00 1.42 H new ATOM 0 HG3 LYS A 38 -1.389 16.742 -2.578 1.00 1.42 H new ATOM 0 HD2 LYS A 38 0.772 15.245 -3.887 1.00 2.67 H new ATOM 0 HD3 LYS A 38 0.265 16.602 -4.873 1.00 2.67 H new ATOM 0 HE2 LYS A 38 0.657 18.167 -3.004 1.00 3.85 H new ATOM 0 HE3 LYS A 38 1.029 16.837 -1.924 1.00 3.85 H new ATOM 0 HZ1 LYS A 38 3.025 17.883 -2.746 1.00 5.52 H new ATOM 0 HZ2 LYS A 38 2.934 16.283 -3.307 1.00 5.52 H new ATOM 0 HZ3 LYS A 38 2.574 17.571 -4.353 1.00 5.52 H new ATOM 572 N MET A 39 -2.057 12.952 0.007 1.00 0.72 N ATOM 573 CA MET A 39 -2.912 12.743 1.160 1.00 0.67 C ATOM 574 C MET A 39 -2.175 13.069 2.464 1.00 0.76 C ATOM 575 O MET A 39 -1.037 12.659 2.676 1.00 1.71 O ATOM 576 CB MET A 39 -3.448 11.314 1.155 1.00 0.57 C ATOM 577 CG MET A 39 -4.539 11.069 0.102 1.00 0.84 C ATOM 578 SD MET A 39 -6.208 11.714 0.442 1.00 2.31 S ATOM 579 CE MET A 39 -6.191 13.365 -0.302 1.00 3.58 C ATOM 0 H MET A 39 -1.779 12.101 -0.481 1.00 0.72 H new ATOM 0 HA MET A 39 -3.759 13.426 1.098 1.00 0.67 H new ATOM 0 HB2 MET A 39 -2.622 10.626 0.977 1.00 0.57 H new ATOM 0 HB3 MET A 39 -3.849 11.082 2.142 1.00 0.57 H new ATOM 0 HG2 MET A 39 -4.199 11.500 -0.839 1.00 0.84 H new ATOM 0 HG3 MET A 39 -4.621 9.993 -0.051 1.00 0.84 H new ATOM 0 HE1 MET A 39 -5.888 14.098 0.446 1.00 3.58 H new ATOM 0 HE2 MET A 39 -5.487 13.382 -1.134 1.00 3.58 H new ATOM 0 HE3 MET A 39 -7.189 13.610 -0.667 1.00 3.58 H new ATOM 589 N SER A 40 -2.836 13.810 3.358 1.00 0.68 N ATOM 590 CA SER A 40 -2.293 14.120 4.669 1.00 0.64 C ATOM 591 C SER A 40 -2.156 12.852 5.511 1.00 0.47 C ATOM 592 O SER A 40 -2.970 11.933 5.401 1.00 0.42 O ATOM 593 CB SER A 40 -3.211 15.117 5.386 1.00 0.79 C ATOM 594 OG SER A 40 -3.207 16.357 4.713 1.00 1.63 O ATOM 0 H SER A 40 -3.760 14.208 3.187 1.00 0.68 H new ATOM 0 HA SER A 40 -1.304 14.560 4.539 1.00 0.64 H new ATOM 0 HB2 SER A 40 -4.226 14.722 5.428 1.00 0.79 H new ATOM 0 HB3 SER A 40 -2.879 15.253 6.415 1.00 0.79 H new ATOM 0 HG SER A 40 -3.798 16.984 5.179 1.00 1.63 H new ATOM 600 N ALA A 41 -1.178 12.870 6.427 1.00 0.49 N ATOM 601 CA ALA A 41 -0.950 11.851 7.446 1.00 0.44 C ATOM 602 C ALA A 41 -2.261 11.328 8.037 1.00 0.41 C ATOM 603 O ALA A 41 -2.412 10.130 8.240 1.00 0.40 O ATOM 604 CB ALA A 41 -0.063 12.428 8.551 1.00 0.51 C ATOM 0 H ALA A 41 -0.499 13.629 6.475 1.00 0.49 H new ATOM 0 HA ALA A 41 -0.451 11.005 6.973 1.00 0.44 H new ATOM 0 HB1 ALA A 41 0.109 11.668 9.314 1.00 0.51 H new ATOM 0 HB2 ALA A 41 0.892 12.738 8.126 1.00 0.51 H new ATOM 0 HB3 ALA A 41 -0.557 13.289 9.001 1.00 0.51 H new ATOM 610 N ASN A 42 -3.215 12.231 8.287 1.00 0.47 N ATOM 611 CA ASN A 42 -4.551 11.896 8.767 1.00 0.51 C ATOM 612 C ASN A 42 -5.177 10.797 7.905 1.00 0.43 C ATOM 613 O ASN A 42 -5.518 9.720 8.395 1.00 0.47 O ATOM 614 CB ASN A 42 -5.458 13.140 8.744 1.00 0.61 C ATOM 615 CG ASN A 42 -4.882 14.319 9.522 1.00 0.81 C ATOM 616 OD1 ASN A 42 -4.260 14.146 10.563 1.00 1.44 O ATOM 617 ND2 ASN A 42 -5.042 15.530 8.995 1.00 1.39 N ATOM 0 H ASN A 42 -3.073 13.233 8.158 1.00 0.47 H new ATOM 0 HA ASN A 42 -4.458 11.535 9.791 1.00 0.51 H new ATOM 0 HB2 ASN A 42 -5.624 13.442 7.710 1.00 0.61 H new ATOM 0 HB3 ASN A 42 -6.431 12.880 9.160 1.00 0.61 H new ATOM 0 HD21 ASN A 42 -4.642 16.345 9.459 1.00 1.39 H new ATOM 0 HD22 ASN A 42 -5.565 15.643 8.127 1.00 1.39 H new ATOM 624 N GLN A 43 -5.326 11.080 6.608 1.00 0.38 N ATOM 625 CA GLN A 43 -6.028 10.204 5.687 1.00 0.36 C ATOM 626 C GLN A 43 -5.173 8.965 5.422 1.00 0.32 C ATOM 627 O GLN A 43 -5.696 7.864 5.308 1.00 0.41 O ATOM 628 CB GLN A 43 -6.423 10.967 4.413 1.00 0.48 C ATOM 629 CG GLN A 43 -7.841 10.613 3.931 1.00 1.12 C ATOM 630 CD GLN A 43 -7.926 9.294 3.166 1.00 2.05 C ATOM 631 OE1 GLN A 43 -7.278 9.139 2.136 1.00 3.51 O ATOM 632 NE2 GLN A 43 -8.741 8.341 3.609 1.00 2.38 N ATOM 0 H GLN A 43 -4.960 11.927 6.173 1.00 0.38 H new ATOM 0 HA GLN A 43 -6.964 9.859 6.126 1.00 0.36 H new ATOM 0 HB2 GLN A 43 -6.364 12.039 4.602 1.00 0.48 H new ATOM 0 HB3 GLN A 43 -5.707 10.743 3.622 1.00 0.48 H new ATOM 0 HG2 GLN A 43 -8.505 10.564 4.794 1.00 1.12 H new ATOM 0 HG3 GLN A 43 -8.207 11.416 3.292 1.00 1.12 H new ATOM 0 HE21 GLN A 43 -9.274 8.484 4.467 1.00 2.38 H new ATOM 0 HE22 GLN A 43 -8.833 7.467 3.091 1.00 2.38 H new ATOM 641 N VAL A 44 -3.847 9.117 5.381 1.00 0.30 N ATOM 642 CA VAL A 44 -2.935 7.994 5.262 1.00 0.31 C ATOM 643 C VAL A 44 -3.126 7.036 6.453 1.00 0.33 C ATOM 644 O VAL A 44 -3.165 5.818 6.286 1.00 0.38 O ATOM 645 CB VAL A 44 -1.515 8.569 5.155 1.00 0.38 C ATOM 646 CG1 VAL A 44 -0.444 7.480 5.161 1.00 0.46 C ATOM 647 CG2 VAL A 44 -1.369 9.399 3.869 1.00 0.42 C ATOM 0 H VAL A 44 -3.383 10.024 5.430 1.00 0.30 H new ATOM 0 HA VAL A 44 -3.130 7.397 4.371 1.00 0.31 H new ATOM 0 HB VAL A 44 -1.367 9.199 6.032 1.00 0.38 H new ATOM 0 HG11 VAL A 44 0.542 7.939 5.083 1.00 0.46 H new ATOM 0 HG12 VAL A 44 -0.508 6.912 6.089 1.00 0.46 H new ATOM 0 HG13 VAL A 44 -0.601 6.811 4.315 1.00 0.46 H new ATOM 0 HG21 VAL A 44 -0.357 9.800 3.808 1.00 0.42 H new ATOM 0 HG22 VAL A 44 -1.562 8.765 3.003 1.00 0.42 H new ATOM 0 HG23 VAL A 44 -2.085 10.221 3.883 1.00 0.42 H new ATOM 657 N LYS A 45 -3.263 7.564 7.672 1.00 0.37 N ATOM 658 CA LYS A 45 -3.470 6.736 8.851 1.00 0.45 C ATOM 659 C LYS A 45 -4.863 6.090 8.819 1.00 0.46 C ATOM 660 O LYS A 45 -5.007 4.911 9.139 1.00 0.54 O ATOM 661 CB LYS A 45 -3.217 7.546 10.129 1.00 0.57 C ATOM 662 CG LYS A 45 -2.780 6.620 11.270 1.00 0.83 C ATOM 663 CD LYS A 45 -2.583 7.421 12.564 1.00 1.36 C ATOM 664 CE LYS A 45 -1.862 6.559 13.614 1.00 1.93 C ATOM 665 NZ LYS A 45 -1.759 7.241 14.922 1.00 2.55 N ATOM 0 H LYS A 45 -3.233 8.566 7.863 1.00 0.37 H new ATOM 0 HA LYS A 45 -2.747 5.921 8.848 1.00 0.45 H new ATOM 0 HB2 LYS A 45 -2.448 8.296 9.946 1.00 0.57 H new ATOM 0 HB3 LYS A 45 -4.123 8.082 10.413 1.00 0.57 H new ATOM 0 HG2 LYS A 45 -3.530 5.845 11.425 1.00 0.83 H new ATOM 0 HG3 LYS A 45 -1.852 6.116 11.002 1.00 0.83 H new ATOM 0 HD2 LYS A 45 -2.002 8.320 12.359 1.00 1.36 H new ATOM 0 HD3 LYS A 45 -3.549 7.746 12.950 1.00 1.36 H new ATOM 0 HE2 LYS A 45 -2.397 5.618 13.738 1.00 1.93 H new ATOM 0 HE3 LYS A 45 -0.863 6.313 13.255 1.00 1.93 H new ATOM 0 HZ1 LYS A 45 -1.266 6.623 15.598 1.00 2.55 H new ATOM 0 HZ2 LYS A 45 -1.226 8.127 14.811 1.00 2.55 H new ATOM 0 HZ3 LYS A 45 -2.713 7.453 15.279 1.00 2.55 H new ATOM 679 N ASP A 46 -5.885 6.853 8.424 1.00 0.43 N ATOM 680 CA ASP A 46 -7.226 6.331 8.172 1.00 0.48 C ATOM 681 C ASP A 46 -7.159 5.117 7.232 1.00 0.44 C ATOM 682 O ASP A 46 -7.488 3.997 7.633 1.00 0.50 O ATOM 683 CB ASP A 46 -8.094 7.468 7.621 1.00 0.52 C ATOM 684 CG ASP A 46 -9.392 7.010 6.977 1.00 1.94 C ATOM 685 OD1 ASP A 46 -9.974 6.033 7.491 1.00 2.69 O ATOM 686 OD2 ASP A 46 -9.768 7.660 5.974 1.00 3.22 O ATOM 0 H ASP A 46 -5.802 7.858 8.270 1.00 0.43 H new ATOM 0 HA ASP A 46 -7.683 5.974 9.095 1.00 0.48 H new ATOM 0 HB2 ASP A 46 -8.328 8.156 8.433 1.00 0.52 H new ATOM 0 HB3 ASP A 46 -7.515 8.027 6.886 1.00 0.52 H new ATOM 691 N VAL A 47 -6.658 5.309 6.004 1.00 0.39 N ATOM 692 CA VAL A 47 -6.529 4.205 5.062 1.00 0.40 C ATOM 693 C VAL A 47 -5.722 3.060 5.674 1.00 0.42 C ATOM 694 O VAL A 47 -6.188 1.927 5.617 1.00 0.45 O ATOM 695 CB VAL A 47 -6.037 4.628 3.662 1.00 0.40 C ATOM 696 CG1 VAL A 47 -6.937 5.713 3.064 1.00 0.49 C ATOM 697 CG2 VAL A 47 -4.586 5.075 3.596 1.00 0.50 C ATOM 0 H VAL A 47 -6.340 6.211 5.649 1.00 0.39 H new ATOM 0 HA VAL A 47 -7.535 3.830 4.877 1.00 0.40 H new ATOM 0 HB VAL A 47 -6.097 3.715 3.069 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -6.566 5.991 2.078 1.00 0.49 H new ATOM 0 HG12 VAL A 47 -7.955 5.333 2.975 1.00 0.49 H new ATOM 0 HG13 VAL A 47 -6.932 6.588 3.713 1.00 0.49 H new ATOM 0 HG21 VAL A 47 -4.337 5.351 2.572 1.00 0.50 H new ATOM 0 HG22 VAL A 47 -4.440 5.935 4.250 1.00 0.50 H new ATOM 0 HG23 VAL A 47 -3.939 4.260 3.919 1.00 0.50 H new ATOM 707 N PHE A 48 -4.569 3.337 6.305 1.00 0.44 N ATOM 708 CA PHE A 48 -3.781 2.329 7.020 1.00 0.50 C ATOM 709 C PHE A 48 -4.677 1.430 7.872 1.00 0.53 C ATOM 710 O PHE A 48 -4.616 0.210 7.743 1.00 0.59 O ATOM 711 CB PHE A 48 -2.677 2.970 7.871 1.00 0.58 C ATOM 712 CG PHE A 48 -2.023 2.029 8.867 1.00 1.58 C ATOM 713 CD1 PHE A 48 -2.585 1.872 10.148 1.00 3.16 C ATOM 714 CD2 PHE A 48 -0.964 1.196 8.464 1.00 2.68 C ATOM 715 CE1 PHE A 48 -2.162 0.823 10.982 1.00 4.34 C ATOM 716 CE2 PHE A 48 -0.486 0.197 9.334 1.00 3.82 C ATOM 717 CZ PHE A 48 -1.102 -0.007 10.581 1.00 4.33 C ATOM 0 H PHE A 48 -4.159 4.271 6.331 1.00 0.44 H new ATOM 0 HA PHE A 48 -3.295 1.706 6.269 1.00 0.50 H new ATOM 0 HB2 PHE A 48 -1.909 3.367 7.207 1.00 0.58 H new ATOM 0 HB3 PHE A 48 -3.099 3.816 8.413 1.00 0.58 H new ATOM 0 HD1 PHE A 48 -3.344 2.560 10.491 1.00 3.16 H new ATOM 0 HD2 PHE A 48 -0.518 1.322 7.489 1.00 2.68 H new ATOM 0 HE1 PHE A 48 -2.651 0.655 11.930 1.00 4.34 H new ATOM 0 HE2 PHE A 48 0.356 -0.414 9.042 1.00 3.82 H new ATOM 0 HZ PHE A 48 -0.761 -0.800 11.230 1.00 4.33 H new ATOM 727 N ARG A 49 -5.524 2.011 8.728 1.00 0.54 N ATOM 728 CA ARG A 49 -6.409 1.201 9.559 1.00 0.60 C ATOM 729 C ARG A 49 -7.351 0.348 8.707 1.00 0.53 C ATOM 730 O ARG A 49 -7.641 -0.791 9.063 1.00 0.64 O ATOM 731 CB ARG A 49 -7.207 2.070 10.534 1.00 0.73 C ATOM 732 CG ARG A 49 -6.294 2.777 11.545 1.00 1.00 C ATOM 733 CD ARG A 49 -7.130 3.448 12.636 1.00 1.27 C ATOM 734 NE ARG A 49 -7.733 2.444 13.528 1.00 1.99 N ATOM 735 CZ ARG A 49 -8.660 2.695 14.466 1.00 2.40 C ATOM 736 NH1 ARG A 49 -9.139 3.936 14.610 1.00 2.48 N ATOM 737 NH2 ARG A 49 -9.096 1.707 15.255 1.00 3.40 N ATOM 0 H ARG A 49 -5.613 3.019 8.860 1.00 0.54 H new ATOM 0 HA ARG A 49 -5.778 0.529 10.141 1.00 0.60 H new ATOM 0 HB2 ARG A 49 -7.776 2.814 9.976 1.00 0.73 H new ATOM 0 HB3 ARG A 49 -7.928 1.450 11.067 1.00 0.73 H new ATOM 0 HG2 ARG A 49 -5.610 2.057 11.993 1.00 1.00 H new ATOM 0 HG3 ARG A 49 -5.684 3.522 11.035 1.00 1.00 H new ATOM 0 HD2 ARG A 49 -6.503 4.125 13.216 1.00 1.27 H new ATOM 0 HD3 ARG A 49 -7.914 4.052 12.179 1.00 1.27 H new ATOM 0 HE ARG A 49 -7.421 1.478 13.425 1.00 1.99 H new ATOM 0 HH11 ARG A 49 -8.800 4.687 14.008 1.00 2.48 H new ATOM 0 HH12 ARG A 49 -9.843 4.131 15.321 1.00 2.48 H new ATOM 0 HH21 ARG A 49 -8.724 0.764 15.144 1.00 3.40 H new ATOM 0 HH22 ARG A 49 -9.800 1.897 15.968 1.00 3.40 H new ATOM 751 N PHE A 50 -7.831 0.888 7.584 1.00 0.43 N ATOM 752 CA PHE A 50 -8.663 0.133 6.656 1.00 0.48 C ATOM 753 C PHE A 50 -7.866 -1.024 6.040 1.00 0.55 C ATOM 754 O PHE A 50 -8.422 -2.088 5.763 1.00 0.73 O ATOM 755 CB PHE A 50 -9.246 1.066 5.582 1.00 0.52 C ATOM 756 CG PHE A 50 -10.526 0.544 4.955 1.00 1.32 C ATOM 757 CD1 PHE A 50 -11.759 0.802 5.582 1.00 2.12 C ATOM 758 CD2 PHE A 50 -10.485 -0.272 3.808 1.00 3.05 C ATOM 759 CE1 PHE A 50 -12.938 0.218 5.092 1.00 2.92 C ATOM 760 CE2 PHE A 50 -11.671 -0.832 3.298 1.00 3.94 C ATOM 761 CZ PHE A 50 -12.894 -0.606 3.954 1.00 3.46 C ATOM 0 H PHE A 50 -7.654 1.851 7.298 1.00 0.43 H new ATOM 0 HA PHE A 50 -9.500 -0.303 7.201 1.00 0.48 H new ATOM 0 HB2 PHE A 50 -9.441 2.042 6.027 1.00 0.52 H new ATOM 0 HB3 PHE A 50 -8.502 1.215 4.799 1.00 0.52 H new ATOM 0 HD1 PHE A 50 -11.799 1.452 6.444 1.00 2.12 H new ATOM 0 HD2 PHE A 50 -9.542 -0.468 3.319 1.00 3.05 H new ATOM 0 HE1 PHE A 50 -13.879 0.402 5.589 1.00 2.92 H new ATOM 0 HE2 PHE A 50 -11.642 -1.435 2.403 1.00 3.94 H new ATOM 0 HZ PHE A 50 -13.799 -1.065 3.584 1.00 3.46 H new ATOM 771 N ILE A 51 -6.562 -0.824 5.814 1.00 0.54 N ATOM 772 CA ILE A 51 -5.688 -1.878 5.324 1.00 0.68 C ATOM 773 C ILE A 51 -5.507 -2.950 6.404 1.00 0.60 C ATOM 774 O ILE A 51 -5.724 -4.131 6.127 1.00 1.19 O ATOM 775 CB ILE A 51 -4.332 -1.348 4.818 1.00 0.93 C ATOM 776 CG1 ILE A 51 -4.388 -0.133 3.875 1.00 1.42 C ATOM 777 CG2 ILE A 51 -3.614 -2.475 4.069 1.00 1.10 C ATOM 778 CD1 ILE A 51 -5.490 -0.174 2.812 1.00 1.14 C ATOM 0 H ILE A 51 -6.093 0.069 5.967 1.00 0.54 H new ATOM 0 HA ILE A 51 -6.171 -2.327 4.456 1.00 0.68 H new ATOM 0 HB ILE A 51 -3.813 -1.011 5.715 1.00 0.93 H new ATOM 0 HG12 ILE A 51 -4.521 0.766 4.477 1.00 1.42 H new ATOM 0 HG13 ILE A 51 -3.425 -0.041 3.372 1.00 1.42 H new ATOM 0 HG21 ILE A 51 -2.652 -2.115 3.705 1.00 1.10 H new ATOM 0 HG22 ILE A 51 -3.455 -3.316 4.744 1.00 1.10 H new ATOM 0 HG23 ILE A 51 -4.224 -2.797 3.225 1.00 1.10 H new ATOM 0 HD11 ILE A 51 -5.441 0.728 2.202 1.00 1.14 H new ATOM 0 HD12 ILE A 51 -5.351 -1.049 2.177 1.00 1.14 H new ATOM 0 HD13 ILE A 51 -6.463 -0.230 3.299 1.00 1.14 H new ATOM 790 N ASP A 52 -5.099 -2.558 7.620 1.00 0.72 N ATOM 791 CA ASP A 52 -4.725 -3.484 8.690 1.00 0.70 C ATOM 792 C ASP A 52 -5.961 -4.084 9.372 1.00 0.90 C ATOM 793 O ASP A 52 -6.180 -3.924 10.570 1.00 1.72 O ATOM 794 CB ASP A 52 -3.760 -2.821 9.694 1.00 0.82 C ATOM 795 CG ASP A 52 -2.907 -3.888 10.359 1.00 1.05 C ATOM 796 OD1 ASP A 52 -2.230 -4.636 9.626 1.00 2.15 O ATOM 797 OD2 ASP A 52 -2.913 -4.117 11.593 1.00 1.52 O ATOM 0 H ASP A 52 -5.020 -1.577 7.887 1.00 0.72 H new ATOM 0 HA ASP A 52 -4.185 -4.316 8.238 1.00 0.70 H new ATOM 0 HB2 ASP A 52 -3.124 -2.100 9.181 1.00 0.82 H new ATOM 0 HB3 ASP A 52 -4.324 -2.270 10.447 1.00 0.82 H new ATOM 802 N ASN A 53 -6.769 -4.790 8.580 1.00 0.55 N ATOM 803 CA ASN A 53 -8.075 -5.335 8.925 1.00 0.72 C ATOM 804 C ASN A 53 -8.064 -6.170 10.209 1.00 0.73 C ATOM 805 O ASN A 53 -9.059 -6.214 10.927 1.00 1.51 O ATOM 806 CB ASN A 53 -8.556 -6.165 7.728 1.00 1.12 C ATOM 807 CG ASN A 53 -9.919 -6.807 7.962 1.00 1.25 C ATOM 808 OD1 ASN A 53 -10.950 -6.187 7.725 1.00 1.97 O ATOM 809 ND2 ASN A 53 -9.939 -8.073 8.371 1.00 1.01 N ATOM 0 H ASN A 53 -6.508 -5.008 7.618 1.00 0.55 H new ATOM 0 HA ASN A 53 -8.758 -4.511 9.132 1.00 0.72 H new ATOM 0 HB2 ASN A 53 -8.607 -5.526 6.846 1.00 1.12 H new ATOM 0 HB3 ASN A 53 -7.824 -6.944 7.515 1.00 1.12 H new ATOM 0 HD21 ASN A 53 -10.829 -8.555 8.495 1.00 1.01 H new ATOM 0 HD22 ASN A 53 -9.064 -8.562 8.560 1.00 1.01 H new ATOM 816 N ASP A 54 -6.951 -6.850 10.485 1.00 0.72 N ATOM 817 CA ASP A 54 -6.748 -7.665 11.675 1.00 0.91 C ATOM 818 C ASP A 54 -6.571 -6.802 12.931 1.00 0.94 C ATOM 819 O ASP A 54 -6.947 -7.225 14.020 1.00 1.25 O ATOM 820 CB ASP A 54 -5.488 -8.506 11.464 1.00 1.25 C ATOM 821 CG ASP A 54 -4.278 -7.599 11.432 1.00 1.32 C ATOM 822 OD1 ASP A 54 -4.203 -6.679 10.594 1.00 2.57 O ATOM 823 OD2 ASP A 54 -3.391 -7.673 12.301 1.00 1.84 O ATOM 0 H ASP A 54 -6.142 -6.846 9.864 1.00 0.72 H new ATOM 0 HA ASP A 54 -7.626 -8.293 11.825 1.00 0.91 H new ATOM 0 HB2 ASP A 54 -5.387 -9.237 12.266 1.00 1.25 H new ATOM 0 HB3 ASP A 54 -5.562 -9.065 10.531 1.00 1.25 H new ATOM 828 N GLN A 55 -5.956 -5.625 12.779 1.00 0.88 N ATOM 829 CA GLN A 55 -5.667 -4.643 13.815 1.00 1.11 C ATOM 830 C GLN A 55 -4.496 -5.014 14.745 1.00 1.27 C ATOM 831 O GLN A 55 -4.390 -4.446 15.828 1.00 1.50 O ATOM 832 CB GLN A 55 -6.963 -4.168 14.517 1.00 1.32 C ATOM 833 CG GLN A 55 -7.233 -4.757 15.915 1.00 3.32 C ATOM 834 CD GLN A 55 -8.677 -4.595 16.372 1.00 3.68 C ATOM 835 OE1 GLN A 55 -9.469 -3.878 15.767 1.00 3.54 O ATOM 836 NE2 GLN A 55 -9.030 -5.242 17.480 1.00 4.77 N ATOM 0 H GLN A 55 -5.627 -5.317 11.864 1.00 0.88 H new ATOM 0 HA GLN A 55 -5.268 -3.761 13.314 1.00 1.11 H new ATOM 0 HB2 GLN A 55 -6.928 -3.082 14.603 1.00 1.32 H new ATOM 0 HB3 GLN A 55 -7.809 -4.409 13.874 1.00 1.32 H new ATOM 0 HG2 GLN A 55 -6.978 -5.817 15.910 1.00 3.32 H new ATOM 0 HG3 GLN A 55 -6.575 -4.274 16.638 1.00 3.32 H new ATOM 0 HE21 GLN A 55 -8.353 -5.832 17.964 1.00 4.77 H new ATOM 0 HE22 GLN A 55 -9.978 -5.148 17.845 1.00 4.77 H new ATOM 845 N SER A 56 -3.562 -5.893 14.335 1.00 1.34 N ATOM 846 CA SER A 56 -2.358 -6.182 15.124 1.00 1.46 C ATOM 847 C SER A 56 -1.623 -4.908 15.560 1.00 1.38 C ATOM 848 O SER A 56 -0.926 -4.920 16.571 1.00 1.74 O ATOM 849 CB SER A 56 -1.374 -7.116 14.389 1.00 1.46 C ATOM 850 OG SER A 56 -0.840 -6.530 13.208 1.00 1.33 O ATOM 0 H SER A 56 -3.622 -6.414 13.460 1.00 1.34 H new ATOM 0 HA SER A 56 -2.720 -6.697 16.014 1.00 1.46 H new ATOM 0 HB2 SER A 56 -0.557 -7.378 15.061 1.00 1.46 H new ATOM 0 HB3 SER A 56 -1.884 -8.044 14.131 1.00 1.46 H new ATOM 0 HG SER A 56 -0.002 -6.979 12.970 1.00 1.33 H new ATOM 856 N GLY A 57 -1.732 -3.837 14.765 1.00 1.10 N ATOM 857 CA GLY A 57 -0.976 -2.609 14.954 1.00 1.21 C ATOM 858 C GLY A 57 0.091 -2.502 13.872 1.00 0.94 C ATOM 859 O GLY A 57 0.521 -1.399 13.531 1.00 1.47 O ATOM 0 H GLY A 57 -2.360 -3.806 13.962 1.00 1.10 H new ATOM 0 HA2 GLY A 57 -1.643 -1.748 14.910 1.00 1.21 H new ATOM 0 HA3 GLY A 57 -0.512 -2.602 15.940 1.00 1.21 H new ATOM 863 N TYR A 58 0.504 -3.649 13.326 1.00 0.71 N ATOM 864 CA TYR A 58 1.513 -3.743 12.293 1.00 0.67 C ATOM 865 C TYR A 58 0.868 -4.288 11.024 1.00 0.61 C ATOM 866 O TYR A 58 0.092 -5.240 11.074 1.00 0.62 O ATOM 867 CB TYR A 58 2.682 -4.594 12.804 1.00 0.96 C ATOM 868 CG TYR A 58 3.434 -3.921 13.936 1.00 1.06 C ATOM 869 CD1 TYR A 58 4.447 -2.988 13.644 1.00 2.27 C ATOM 870 CD2 TYR A 58 2.989 -4.072 15.264 1.00 1.88 C ATOM 871 CE1 TYR A 58 4.968 -2.170 14.661 1.00 2.47 C ATOM 872 CE2 TYR A 58 3.518 -3.261 16.283 1.00 2.28 C ATOM 873 CZ TYR A 58 4.494 -2.297 15.976 1.00 1.94 C ATOM 874 OH TYR A 58 4.977 -1.475 16.951 1.00 2.53 O ATOM 0 H TYR A 58 0.130 -4.556 13.605 1.00 0.71 H new ATOM 0 HA TYR A 58 1.926 -2.765 12.045 1.00 0.67 H new ATOM 0 HB2 TYR A 58 2.305 -5.558 13.145 1.00 0.96 H new ATOM 0 HB3 TYR A 58 3.370 -4.793 11.982 1.00 0.96 H new ATOM 0 HD1 TYR A 58 4.825 -2.901 12.636 1.00 2.27 H new ATOM 0 HD2 TYR A 58 2.239 -4.813 15.500 1.00 1.88 H new ATOM 0 HE1 TYR A 58 5.733 -1.444 14.431 1.00 2.47 H new ATOM 0 HE2 TYR A 58 3.175 -3.378 17.300 1.00 2.28 H new ATOM 0 HH TYR A 58 4.546 -1.691 17.804 1.00 2.53 H new ATOM 884 N LEU A 59 1.170 -3.682 9.880 1.00 0.74 N ATOM 885 CA LEU A 59 0.981 -4.320 8.594 1.00 0.61 C ATOM 886 C LEU A 59 2.048 -5.405 8.476 1.00 0.59 C ATOM 887 O LEU A 59 3.059 -5.243 7.793 1.00 0.62 O ATOM 888 CB LEU A 59 1.031 -3.274 7.465 1.00 0.61 C ATOM 889 CG LEU A 59 -0.385 -2.828 7.069 1.00 0.84 C ATOM 890 CD1 LEU A 59 -0.319 -1.575 6.190 1.00 2.11 C ATOM 891 CD2 LEU A 59 -1.126 -3.928 6.293 1.00 2.69 C ATOM 0 H LEU A 59 1.551 -2.738 9.825 1.00 0.74 H new ATOM 0 HA LEU A 59 -0.001 -4.786 8.506 1.00 0.61 H new ATOM 0 HB2 LEU A 59 1.611 -2.410 7.789 1.00 0.61 H new ATOM 0 HB3 LEU A 59 1.541 -3.693 6.597 1.00 0.61 H new ATOM 0 HG LEU A 59 -0.927 -2.617 7.991 1.00 0.84 H new ATOM 0 HD11 LEU A 59 -1.329 -1.269 5.916 1.00 2.11 H new ATOM 0 HD12 LEU A 59 0.167 -0.770 6.740 1.00 2.11 H new ATOM 0 HD13 LEU A 59 0.251 -1.794 5.287 1.00 2.11 H new ATOM 0 HD21 LEU A 59 -2.124 -3.578 6.029 1.00 2.69 H new ATOM 0 HD22 LEU A 59 -0.574 -4.168 5.384 1.00 2.69 H new ATOM 0 HD23 LEU A 59 -1.207 -4.820 6.914 1.00 2.69 H new ATOM 903 N ASP A 60 1.828 -6.511 9.188 1.00 0.66 N ATOM 904 CA ASP A 60 2.659 -7.692 9.067 1.00 0.72 C ATOM 905 C ASP A 60 2.476 -8.281 7.652 1.00 0.66 C ATOM 906 O ASP A 60 1.517 -7.962 6.939 1.00 0.65 O ATOM 907 CB ASP A 60 2.331 -8.691 10.193 1.00 0.90 C ATOM 908 CG ASP A 60 2.416 -8.115 11.611 1.00 1.21 C ATOM 909 OD1 ASP A 60 3.532 -8.184 12.179 1.00 2.86 O ATOM 910 OD2 ASP A 60 1.367 -7.644 12.122 1.00 1.98 O ATOM 0 H ASP A 60 1.068 -6.605 9.862 1.00 0.66 H new ATOM 0 HA ASP A 60 3.713 -7.441 9.186 1.00 0.72 H new ATOM 0 HB2 ASP A 60 1.325 -9.078 10.034 1.00 0.90 H new ATOM 0 HB3 ASP A 60 3.014 -9.537 10.119 1.00 0.90 H new ATOM 915 N GLU A 61 3.430 -9.113 7.220 1.00 0.71 N ATOM 916 CA GLU A 61 3.528 -9.597 5.845 1.00 0.72 C ATOM 917 C GLU A 61 2.225 -10.218 5.327 1.00 0.71 C ATOM 918 O GLU A 61 1.874 -10.046 4.159 1.00 0.69 O ATOM 919 CB GLU A 61 4.690 -10.591 5.720 1.00 0.86 C ATOM 920 CG GLU A 61 6.047 -9.890 5.865 1.00 1.63 C ATOM 921 CD GLU A 61 7.191 -10.875 5.664 1.00 2.56 C ATOM 922 OE1 GLU A 61 7.386 -11.289 4.499 1.00 2.90 O ATOM 923 OE2 GLU A 61 7.831 -11.214 6.682 1.00 3.80 O ATOM 0 H GLU A 61 4.166 -9.473 7.828 1.00 0.71 H new ATOM 0 HA GLU A 61 3.720 -8.728 5.216 1.00 0.72 H new ATOM 0 HB2 GLU A 61 4.594 -11.362 6.484 1.00 0.86 H new ATOM 0 HB3 GLU A 61 4.639 -11.092 4.753 1.00 0.86 H new ATOM 0 HG2 GLU A 61 6.124 -9.083 5.136 1.00 1.63 H new ATOM 0 HG3 GLU A 61 6.122 -9.435 6.853 1.00 1.63 H new ATOM 930 N GLU A 62 1.511 -10.964 6.171 1.00 0.89 N ATOM 931 CA GLU A 62 0.317 -11.665 5.731 1.00 0.94 C ATOM 932 C GLU A 62 -0.773 -10.665 5.345 1.00 0.82 C ATOM 933 O GLU A 62 -1.316 -10.742 4.248 1.00 0.82 O ATOM 934 CB GLU A 62 -0.140 -12.670 6.798 1.00 1.22 C ATOM 935 CG GLU A 62 -1.127 -13.683 6.198 1.00 1.62 C ATOM 936 CD GLU A 62 -1.576 -14.735 7.202 1.00 2.45 C ATOM 937 OE1 GLU A 62 -0.717 -15.179 7.993 1.00 2.90 O ATOM 938 OE2 GLU A 62 -2.765 -15.110 7.119 1.00 3.49 O ATOM 0 H GLU A 62 1.741 -11.094 7.156 1.00 0.89 H new ATOM 0 HA GLU A 62 0.544 -12.244 4.836 1.00 0.94 H new ATOM 0 HB2 GLU A 62 0.724 -13.194 7.206 1.00 1.22 H new ATOM 0 HB3 GLU A 62 -0.612 -12.141 7.626 1.00 1.22 H new ATOM 0 HG2 GLU A 62 -2.001 -13.152 5.820 1.00 1.62 H new ATOM 0 HG3 GLU A 62 -0.660 -14.177 5.346 1.00 1.62 H new ATOM 945 N GLU A 63 -1.070 -9.687 6.194 1.00 0.91 N ATOM 946 CA GLU A 63 -2.005 -8.628 5.838 1.00 0.89 C ATOM 947 C GLU A 63 -1.498 -7.839 4.634 1.00 0.75 C ATOM 948 O GLU A 63 -2.300 -7.391 3.815 1.00 0.75 O ATOM 949 CB GLU A 63 -2.278 -7.713 7.029 1.00 1.19 C ATOM 950 CG GLU A 63 -2.668 -8.548 8.250 1.00 1.54 C ATOM 951 CD GLU A 63 -1.456 -8.788 9.128 1.00 1.54 C ATOM 952 OE1 GLU A 63 -1.241 -7.928 10.013 1.00 1.87 O ATOM 953 OE2 GLU A 63 -0.738 -9.770 8.855 1.00 3.02 O ATOM 0 H GLU A 63 -0.677 -9.606 7.132 1.00 0.91 H new ATOM 0 HA GLU A 63 -2.951 -9.091 5.558 1.00 0.89 H new ATOM 0 HB2 GLU A 63 -1.392 -7.119 7.252 1.00 1.19 H new ATOM 0 HB3 GLU A 63 -3.078 -7.014 6.785 1.00 1.19 H new ATOM 0 HG2 GLU A 63 -3.442 -8.034 8.819 1.00 1.54 H new ATOM 0 HG3 GLU A 63 -3.088 -9.501 7.929 1.00 1.54 H new ATOM 960 N LEU A 64 -0.177 -7.709 4.484 1.00 0.75 N ATOM 961 CA LEU A 64 0.411 -7.184 3.256 1.00 0.79 C ATOM 962 C LEU A 64 -0.078 -7.959 2.018 1.00 0.73 C ATOM 963 O LEU A 64 -0.347 -7.357 0.983 1.00 1.00 O ATOM 964 CB LEU A 64 1.946 -7.152 3.348 1.00 0.97 C ATOM 965 CG LEU A 64 2.522 -5.755 3.083 1.00 1.03 C ATOM 966 CD1 LEU A 64 2.389 -4.909 4.353 1.00 2.44 C ATOM 967 CD2 LEU A 64 4.004 -5.830 2.715 1.00 2.35 C ATOM 0 H LEU A 64 0.503 -7.961 5.201 1.00 0.75 H new ATOM 0 HA LEU A 64 0.072 -6.155 3.137 1.00 0.79 H new ATOM 0 HB2 LEU A 64 2.254 -7.487 4.339 1.00 0.97 H new ATOM 0 HB3 LEU A 64 2.365 -7.856 2.629 1.00 0.97 H new ATOM 0 HG LEU A 64 1.970 -5.312 2.254 1.00 1.03 H new ATOM 0 HD11 LEU A 64 2.797 -3.914 4.172 1.00 2.44 H new ATOM 0 HD12 LEU A 64 1.337 -4.826 4.626 1.00 2.44 H new ATOM 0 HD13 LEU A 64 2.939 -5.384 5.166 1.00 2.44 H new ATOM 0 HD21 LEU A 64 4.385 -4.825 2.533 1.00 2.35 H new ATOM 0 HD22 LEU A 64 4.560 -6.286 3.534 1.00 2.35 H new ATOM 0 HD23 LEU A 64 4.125 -6.433 1.815 1.00 2.35 H new ATOM 979 N LYS A 65 -0.272 -9.281 2.125 1.00 0.67 N ATOM 980 CA LYS A 65 -0.861 -10.102 1.064 1.00 0.69 C ATOM 981 C LYS A 65 -2.300 -9.676 0.720 1.00 0.68 C ATOM 982 O LYS A 65 -2.861 -10.171 -0.255 1.00 0.92 O ATOM 983 CB LYS A 65 -0.835 -11.583 1.475 1.00 0.86 C ATOM 984 CG LYS A 65 -0.971 -12.566 0.305 1.00 1.06 C ATOM 985 CD LYS A 65 -0.864 -14.024 0.783 1.00 1.37 C ATOM 986 CE LYS A 65 -1.962 -14.382 1.802 1.00 1.90 C ATOM 987 NZ LYS A 65 -1.941 -15.808 2.186 1.00 2.31 N ATOM 0 H LYS A 65 -0.021 -9.813 2.959 1.00 0.67 H new ATOM 0 HA LYS A 65 -0.259 -9.954 0.167 1.00 0.69 H new ATOM 0 HB2 LYS A 65 0.099 -11.786 1.998 1.00 0.86 H new ATOM 0 HB3 LYS A 65 -1.643 -11.766 2.183 1.00 0.86 H new ATOM 0 HG2 LYS A 65 -1.929 -12.413 -0.191 1.00 1.06 H new ATOM 0 HG3 LYS A 65 -0.194 -12.365 -0.433 1.00 1.06 H new ATOM 0 HD2 LYS A 65 -0.935 -14.692 -0.075 1.00 1.37 H new ATOM 0 HD3 LYS A 65 0.115 -14.186 1.234 1.00 1.37 H new ATOM 0 HE2 LYS A 65 -1.838 -13.768 2.694 1.00 1.90 H new ATOM 0 HE3 LYS A 65 -2.937 -14.138 1.380 1.00 1.90 H new ATOM 0 HZ1 LYS A 65 -2.700 -15.994 2.873 1.00 2.31 H new ATOM 0 HZ2 LYS A 65 -2.087 -16.397 1.341 1.00 2.31 H new ATOM 0 HZ3 LYS A 65 -1.022 -16.039 2.615 1.00 2.31 H new ATOM 1001 N PHE A 66 -2.913 -8.783 1.503 1.00 0.62 N ATOM 1002 CA PHE A 66 -4.192 -8.165 1.195 1.00 0.73 C ATOM 1003 C PHE A 66 -4.117 -6.639 1.305 1.00 0.79 C ATOM 1004 O PHE A 66 -5.141 -6.005 1.560 1.00 1.09 O ATOM 1005 CB PHE A 66 -5.287 -8.743 2.107 1.00 0.97 C ATOM 1006 CG PHE A 66 -5.699 -10.162 1.769 1.00 1.47 C ATOM 1007 CD1 PHE A 66 -5.036 -11.255 2.358 1.00 2.26 C ATOM 1008 CD2 PHE A 66 -6.757 -10.392 0.869 1.00 2.99 C ATOM 1009 CE1 PHE A 66 -5.432 -12.568 2.043 1.00 3.56 C ATOM 1010 CE2 PHE A 66 -7.104 -11.702 0.501 1.00 4.34 C ATOM 1011 CZ PHE A 66 -6.444 -12.792 1.093 1.00 4.43 C ATOM 0 H PHE A 66 -2.518 -8.467 2.389 1.00 0.62 H new ATOM 0 HA PHE A 66 -4.448 -8.395 0.161 1.00 0.73 H new ATOM 0 HB2 PHE A 66 -4.936 -8.716 3.138 1.00 0.97 H new ATOM 0 HB3 PHE A 66 -6.165 -8.100 2.052 1.00 0.97 H new ATOM 0 HD1 PHE A 66 -4.225 -11.086 3.051 1.00 2.26 H new ATOM 0 HD2 PHE A 66 -7.305 -9.556 0.459 1.00 2.99 H new ATOM 0 HE1 PHE A 66 -4.957 -13.406 2.532 1.00 3.56 H new ATOM 0 HE2 PHE A 66 -7.876 -11.871 -0.235 1.00 4.34 H new ATOM 0 HZ PHE A 66 -6.714 -13.801 0.819 1.00 4.43 H new ATOM 1021 N PHE A 67 -2.944 -6.035 1.072 1.00 0.74 N ATOM 1022 CA PHE A 67 -2.780 -4.591 1.220 1.00 0.86 C ATOM 1023 C PHE A 67 -3.750 -3.858 0.285 1.00 0.91 C ATOM 1024 O PHE A 67 -4.648 -3.146 0.729 1.00 1.16 O ATOM 1025 CB PHE A 67 -1.320 -4.181 0.974 1.00 0.87 C ATOM 1026 CG PHE A 67 -0.870 -2.845 1.532 1.00 1.34 C ATOM 1027 CD1 PHE A 67 -1.224 -1.655 0.872 1.00 1.48 C ATOM 1028 CD2 PHE A 67 0.166 -2.819 2.482 1.00 2.86 C ATOM 1029 CE1 PHE A 67 -0.464 -0.487 1.060 1.00 1.78 C ATOM 1030 CE2 PHE A 67 0.955 -1.669 2.642 1.00 3.46 C ATOM 1031 CZ PHE A 67 0.663 -0.516 1.899 1.00 2.57 C ATOM 0 H PHE A 67 -2.099 -6.527 0.781 1.00 0.74 H new ATOM 0 HA PHE A 67 -3.022 -4.305 2.244 1.00 0.86 H new ATOM 0 HB2 PHE A 67 -0.677 -4.955 1.393 1.00 0.87 H new ATOM 0 HB3 PHE A 67 -1.149 -4.172 -0.102 1.00 0.87 H new ATOM 0 HD1 PHE A 67 -2.083 -1.638 0.218 1.00 1.48 H new ATOM 0 HD2 PHE A 67 0.356 -3.689 3.093 1.00 2.86 H new ATOM 0 HE1 PHE A 67 -0.745 0.429 0.562 1.00 1.78 H new ATOM 0 HE2 PHE A 67 1.784 -1.672 3.335 1.00 3.46 H new ATOM 0 HZ PHE A 67 1.304 0.350 1.972 1.00 2.57 H new ATOM 1041 N LEU A 68 -3.587 -4.052 -1.025 1.00 0.75 N ATOM 1042 CA LEU A 68 -4.404 -3.398 -2.043 1.00 0.77 C ATOM 1043 C LEU A 68 -5.617 -4.247 -2.444 1.00 0.80 C ATOM 1044 O LEU A 68 -6.526 -3.751 -3.113 1.00 0.85 O ATOM 1045 CB LEU A 68 -3.529 -3.050 -3.252 1.00 0.98 C ATOM 1046 CG LEU A 68 -2.273 -2.239 -2.887 1.00 2.08 C ATOM 1047 CD1 LEU A 68 -1.373 -2.088 -4.115 1.00 2.60 C ATOM 1048 CD2 LEU A 68 -2.650 -0.847 -2.378 1.00 3.03 C ATOM 0 H LEU A 68 -2.877 -4.674 -1.410 1.00 0.75 H new ATOM 0 HA LEU A 68 -4.808 -2.477 -1.623 1.00 0.77 H new ATOM 0 HB2 LEU A 68 -3.225 -3.972 -3.748 1.00 0.98 H new ATOM 0 HB3 LEU A 68 -4.123 -2.483 -3.969 1.00 0.98 H new ATOM 0 HG LEU A 68 -1.744 -2.776 -2.099 1.00 2.08 H new ATOM 0 HD11 LEU A 68 -0.486 -1.513 -3.848 1.00 2.60 H new ATOM 0 HD12 LEU A 68 -1.073 -3.074 -4.469 1.00 2.60 H new ATOM 0 HD13 LEU A 68 -1.918 -1.569 -4.904 1.00 2.60 H new ATOM 0 HD21 LEU A 68 -1.745 -0.294 -2.127 1.00 3.03 H new ATOM 0 HD22 LEU A 68 -3.199 -0.312 -3.153 1.00 3.03 H new ATOM 0 HD23 LEU A 68 -3.276 -0.941 -1.490 1.00 3.03 H new ATOM 1060 N GLN A 69 -5.685 -5.507 -1.996 1.00 0.82 N ATOM 1061 CA GLN A 69 -6.877 -6.338 -2.165 1.00 0.84 C ATOM 1062 C GLN A 69 -8.117 -5.637 -1.608 1.00 0.85 C ATOM 1063 O GLN A 69 -9.212 -5.815 -2.135 1.00 1.15 O ATOM 1064 CB GLN A 69 -6.713 -7.677 -1.443 1.00 0.79 C ATOM 1065 CG GLN A 69 -5.688 -8.607 -2.100 1.00 1.52 C ATOM 1066 CD GLN A 69 -6.214 -9.183 -3.402 1.00 1.14 C ATOM 1067 OE1 GLN A 69 -6.997 -10.126 -3.384 1.00 1.64 O ATOM 1068 NE2 GLN A 69 -5.805 -8.624 -4.535 1.00 1.32 N ATOM 0 H GLN A 69 -4.919 -5.974 -1.510 1.00 0.82 H new ATOM 0 HA GLN A 69 -7.002 -6.508 -3.234 1.00 0.84 H new ATOM 0 HB2 GLN A 69 -6.413 -7.490 -0.412 1.00 0.79 H new ATOM 0 HB3 GLN A 69 -7.679 -8.182 -1.407 1.00 0.79 H new ATOM 0 HG2 GLN A 69 -4.766 -8.058 -2.290 1.00 1.52 H new ATOM 0 HG3 GLN A 69 -5.440 -9.418 -1.416 1.00 1.52 H new ATOM 0 HE21 GLN A 69 -5.152 -7.840 -4.511 1.00 1.32 H new ATOM 0 HE22 GLN A 69 -6.143 -8.978 -5.430 1.00 1.32 H new ATOM 1077 N LYS A 70 -7.961 -4.847 -0.536 1.00 0.73 N ATOM 1078 CA LYS A 70 -9.073 -4.082 0.010 1.00 0.77 C ATOM 1079 C LYS A 70 -9.680 -3.151 -1.046 1.00 0.84 C ATOM 1080 O LYS A 70 -10.855 -2.807 -0.943 1.00 1.14 O ATOM 1081 CB LYS A 70 -8.663 -3.249 1.235 1.00 1.04 C ATOM 1082 CG LYS A 70 -7.725 -3.909 2.253 1.00 1.46 C ATOM 1083 CD LYS A 70 -8.083 -5.310 2.770 1.00 1.14 C ATOM 1084 CE LYS A 70 -9.338 -5.353 3.655 1.00 1.44 C ATOM 1085 NZ LYS A 70 -10.586 -5.386 2.870 1.00 3.24 N ATOM 0 H LYS A 70 -7.079 -4.727 -0.038 1.00 0.73 H new ATOM 0 HA LYS A 70 -9.818 -4.814 0.323 1.00 0.77 H new ATOM 0 HB2 LYS A 70 -8.185 -2.337 0.878 1.00 1.04 H new ATOM 0 HB3 LYS A 70 -9.571 -2.949 1.758 1.00 1.04 H new ATOM 0 HG2 LYS A 70 -6.733 -3.963 1.805 1.00 1.46 H new ATOM 0 HG3 LYS A 70 -7.650 -3.246 3.115 1.00 1.46 H new ATOM 0 HD2 LYS A 70 -8.230 -5.973 1.917 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -7.239 -5.703 3.337 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -9.294 -6.232 4.298 1.00 1.44 H new ATOM 0 HE3 LYS A 70 -9.347 -4.480 4.308 1.00 1.44 H new ATOM 0 HZ1 LYS A 70 -11.348 -5.796 3.447 1.00 3.24 H new ATOM 0 HZ2 LYS A 70 -10.845 -4.419 2.590 1.00 3.24 H new ATOM 0 HZ3 LYS A 70 -10.446 -5.967 2.019 1.00 3.24 H new ATOM 1099 N PHE A 71 -8.867 -2.708 -2.010 1.00 0.86 N ATOM 1100 CA PHE A 71 -9.286 -1.822 -3.079 1.00 1.08 C ATOM 1101 C PHE A 71 -9.865 -2.667 -4.209 1.00 1.24 C ATOM 1102 O PHE A 71 -11.017 -2.473 -4.585 1.00 1.53 O ATOM 1103 CB PHE A 71 -8.102 -0.978 -3.585 1.00 1.18 C ATOM 1104 CG PHE A 71 -7.258 -0.241 -2.555 1.00 1.37 C ATOM 1105 CD1 PHE A 71 -7.694 -0.054 -1.228 1.00 2.02 C ATOM 1106 CD2 PHE A 71 -6.033 0.321 -2.961 1.00 2.69 C ATOM 1107 CE1 PHE A 71 -6.895 0.650 -0.312 1.00 2.67 C ATOM 1108 CE2 PHE A 71 -5.287 1.112 -2.071 1.00 3.12 C ATOM 1109 CZ PHE A 71 -5.699 1.250 -0.736 1.00 2.73 C ATOM 0 H PHE A 71 -7.881 -2.965 -2.062 1.00 0.86 H new ATOM 0 HA PHE A 71 -10.044 -1.133 -2.707 1.00 1.08 H new ATOM 0 HB2 PHE A 71 -7.441 -1.635 -4.150 1.00 1.18 H new ATOM 0 HB3 PHE A 71 -8.493 -0.240 -4.286 1.00 1.18 H new ATOM 0 HD1 PHE A 71 -8.647 -0.454 -0.914 1.00 2.02 H new ATOM 0 HD2 PHE A 71 -5.665 0.143 -3.961 1.00 2.69 H new ATOM 0 HE1 PHE A 71 -7.202 0.730 0.721 1.00 2.67 H new ATOM 0 HE2 PHE A 71 -4.395 1.615 -2.415 1.00 3.12 H new ATOM 0 HZ PHE A 71 -5.099 1.815 -0.039 1.00 2.73 H new ATOM 1119 N GLU A 72 -9.055 -3.589 -4.747 1.00 1.18 N ATOM 1120 CA GLU A 72 -9.392 -4.344 -5.946 1.00 1.42 C ATOM 1121 C GLU A 72 -8.923 -5.788 -5.777 1.00 1.98 C ATOM 1122 O GLU A 72 -7.752 -6.031 -5.488 1.00 3.34 O ATOM 1123 CB GLU A 72 -8.728 -3.676 -7.161 1.00 1.12 C ATOM 1124 CG GLU A 72 -9.451 -3.979 -8.485 1.00 1.36 C ATOM 1125 CD GLU A 72 -9.895 -2.695 -9.180 1.00 1.84 C ATOM 1126 OE1 GLU A 72 -10.687 -1.961 -8.554 1.00 2.61 O ATOM 1127 OE2 GLU A 72 -9.421 -2.470 -10.315 1.00 2.94 O ATOM 0 H GLU A 72 -8.144 -3.828 -4.355 1.00 1.18 H new ATOM 0 HA GLU A 72 -10.470 -4.353 -6.105 1.00 1.42 H new ATOM 0 HB2 GLU A 72 -8.702 -2.597 -7.006 1.00 1.12 H new ATOM 0 HB3 GLU A 72 -7.694 -4.012 -7.233 1.00 1.12 H new ATOM 0 HG2 GLU A 72 -8.789 -4.541 -9.143 1.00 1.36 H new ATOM 0 HG3 GLU A 72 -10.319 -4.610 -8.292 1.00 1.36 H new ATOM 1134 N SER A 73 -9.813 -6.759 -5.995 1.00 1.55 N ATOM 1135 CA SER A 73 -9.519 -8.180 -5.855 1.00 1.81 C ATOM 1136 C SER A 73 -8.322 -8.612 -6.708 1.00 1.91 C ATOM 1137 O SER A 73 -7.635 -9.575 -6.379 1.00 2.91 O ATOM 1138 CB SER A 73 -10.777 -8.970 -6.230 1.00 2.30 C ATOM 1139 OG SER A 73 -11.358 -8.427 -7.404 1.00 3.02 O ATOM 0 H SER A 73 -10.775 -6.572 -6.279 1.00 1.55 H new ATOM 0 HA SER A 73 -9.241 -8.384 -4.821 1.00 1.81 H new ATOM 0 HB2 SER A 73 -10.524 -10.018 -6.391 1.00 2.30 H new ATOM 0 HB3 SER A 73 -11.495 -8.937 -5.410 1.00 2.30 H new ATOM 0 HG SER A 73 -12.161 -8.938 -7.638 1.00 3.02 H new ATOM 1145 N GLY A 74 -8.069 -7.905 -7.809 1.00 1.56 N ATOM 1146 CA GLY A 74 -6.967 -8.195 -8.714 1.00 1.75 C ATOM 1147 C GLY A 74 -5.835 -7.181 -8.581 1.00 1.51 C ATOM 1148 O GLY A 74 -5.075 -7.023 -9.531 1.00 1.84 O ATOM 0 H GLY A 74 -8.633 -7.106 -8.097 1.00 1.56 H new ATOM 0 HA2 GLY A 74 -6.584 -9.195 -8.510 1.00 1.75 H new ATOM 0 HA3 GLY A 74 -7.332 -8.197 -9.741 1.00 1.75 H new ATOM 1152 N ALA A 75 -5.720 -6.486 -7.438 1.00 1.12 N ATOM 1153 CA ALA A 75 -4.746 -5.413 -7.280 1.00 1.16 C ATOM 1154 C ALA A 75 -3.324 -5.882 -7.606 1.00 1.65 C ATOM 1155 O ALA A 75 -2.751 -5.444 -8.601 1.00 3.44 O ATOM 1156 CB ALA A 75 -4.828 -4.809 -5.879 1.00 0.90 C ATOM 0 H ALA A 75 -6.295 -6.654 -6.612 1.00 1.12 H new ATOM 0 HA ALA A 75 -4.995 -4.632 -7.999 1.00 1.16 H new ATOM 0 HB1 ALA A 75 -4.092 -4.010 -5.783 1.00 0.90 H new ATOM 0 HB2 ALA A 75 -5.827 -4.404 -5.715 1.00 0.90 H new ATOM 0 HB3 ALA A 75 -4.624 -5.581 -5.137 1.00 0.90 H new ATOM 1162 N ARG A 76 -2.751 -6.762 -6.775 1.00 0.56 N ATOM 1163 CA ARG A 76 -1.413 -7.292 -7.010 1.00 0.63 C ATOM 1164 C ARG A 76 -1.033 -8.391 -6.024 1.00 0.46 C ATOM 1165 O ARG A 76 -0.506 -9.431 -6.412 1.00 1.04 O ATOM 1166 CB ARG A 76 -0.364 -6.182 -6.890 1.00 1.21 C ATOM 1167 CG ARG A 76 0.754 -6.479 -7.868 1.00 1.26 C ATOM 1168 CD ARG A 76 0.325 -6.125 -9.289 1.00 1.63 C ATOM 1169 NE ARG A 76 1.516 -5.732 -10.008 1.00 2.03 N ATOM 1170 CZ ARG A 76 1.554 -5.213 -11.224 1.00 2.55 C ATOM 1171 NH1 ARG A 76 0.473 -5.308 -11.997 1.00 3.07 N ATOM 1172 NH2 ARG A 76 2.706 -4.676 -11.605 1.00 3.20 N ATOM 0 H ARG A 76 -3.200 -7.120 -5.932 1.00 0.56 H new ATOM 0 HA ARG A 76 -1.432 -7.709 -8.017 1.00 0.63 H new ATOM 0 HB2 ARG A 76 -0.811 -5.212 -7.107 1.00 1.21 H new ATOM 0 HB3 ARG A 76 0.024 -6.134 -5.872 1.00 1.21 H new ATOM 0 HG2 ARG A 76 1.643 -5.910 -7.597 1.00 1.26 H new ATOM 0 HG3 ARG A 76 1.022 -7.534 -7.814 1.00 1.26 H new ATOM 0 HD2 ARG A 76 -0.152 -6.978 -9.771 1.00 1.63 H new ATOM 0 HD3 ARG A 76 -0.404 -5.315 -9.281 1.00 1.63 H new ATOM 0 HE ARG A 76 2.409 -5.867 -9.534 1.00 2.03 H new ATOM 0 HH11 ARG A 76 -0.364 -5.775 -11.648 1.00 3.07 H new ATOM 0 HH12 ARG A 76 0.483 -4.914 -12.938 1.00 3.07 H new ATOM 0 HH21 ARG A 76 3.504 -4.678 -10.970 1.00 3.20 H new ATOM 0 HH22 ARG A 76 2.793 -4.261 -12.533 1.00 3.20 H new ATOM 1186 N GLU A 77 -1.280 -8.097 -4.750 1.00 0.69 N ATOM 1187 CA GLU A 77 -0.763 -8.730 -3.540 1.00 0.69 C ATOM 1188 C GLU A 77 -0.658 -10.258 -3.614 1.00 0.43 C ATOM 1189 O GLU A 77 0.209 -10.868 -2.994 1.00 0.59 O ATOM 1190 CB GLU A 77 -1.649 -8.316 -2.359 1.00 0.98 C ATOM 1191 CG GLU A 77 -2.257 -6.906 -2.414 1.00 1.52 C ATOM 1192 CD GLU A 77 -1.271 -5.833 -2.831 1.00 2.60 C ATOM 1193 OE1 GLU A 77 -0.550 -5.327 -1.953 1.00 3.70 O ATOM 1194 OE2 GLU A 77 -1.312 -5.525 -4.038 1.00 3.08 O ATOM 0 H GLU A 77 -1.912 -7.331 -4.516 1.00 0.69 H new ATOM 0 HA GLU A 77 0.262 -8.382 -3.413 1.00 0.69 H new ATOM 0 HB2 GLU A 77 -2.464 -9.035 -2.276 1.00 0.98 H new ATOM 0 HB3 GLU A 77 -1.059 -8.397 -1.446 1.00 0.98 H new ATOM 0 HG2 GLU A 77 -3.095 -6.908 -3.112 1.00 1.52 H new ATOM 0 HG3 GLU A 77 -2.660 -6.655 -1.433 1.00 1.52 H new ATOM 1201 N LEU A 78 -1.567 -10.865 -4.378 1.00 0.44 N ATOM 1202 CA LEU A 78 -1.515 -12.237 -4.853 1.00 0.64 C ATOM 1203 C LEU A 78 -0.070 -12.722 -5.070 1.00 0.74 C ATOM 1204 O LEU A 78 0.297 -13.789 -4.583 1.00 1.09 O ATOM 1205 CB LEU A 78 -2.307 -12.385 -6.168 1.00 0.86 C ATOM 1206 CG LEU A 78 -3.712 -11.750 -6.275 1.00 1.25 C ATOM 1207 CD1 LEU A 78 -4.543 -11.855 -4.992 1.00 1.35 C ATOM 1208 CD2 LEU A 78 -3.709 -10.304 -6.797 1.00 1.36 C ATOM 0 H LEU A 78 -2.405 -10.379 -4.697 1.00 0.44 H new ATOM 0 HA LEU A 78 -1.967 -12.857 -4.079 1.00 0.64 H new ATOM 0 HB2 LEU A 78 -1.696 -11.967 -6.968 1.00 0.86 H new ATOM 0 HB3 LEU A 78 -2.412 -13.451 -6.370 1.00 0.86 H new ATOM 0 HG LEU A 78 -4.203 -12.364 -7.030 1.00 1.25 H new ATOM 0 HD11 LEU A 78 -5.515 -11.386 -5.148 1.00 1.35 H new ATOM 0 HD12 LEU A 78 -4.684 -12.905 -4.734 1.00 1.35 H new ATOM 0 HD13 LEU A 78 -4.023 -11.349 -4.179 1.00 1.35 H new ATOM 0 HD21 LEU A 78 -4.732 -9.931 -6.842 1.00 1.36 H new ATOM 0 HD22 LEU A 78 -3.124 -9.676 -6.125 1.00 1.36 H new ATOM 0 HD23 LEU A 78 -3.269 -10.278 -7.794 1.00 1.36 H new ATOM 1220 N THR A 79 0.740 -11.965 -5.824 1.00 0.66 N ATOM 1221 CA THR A 79 2.135 -12.305 -6.075 1.00 0.95 C ATOM 1222 C THR A 79 3.014 -11.838 -4.910 1.00 0.92 C ATOM 1223 O THR A 79 3.088 -10.642 -4.605 1.00 0.87 O ATOM 1224 CB THR A 79 2.610 -11.774 -7.441 1.00 1.21 C ATOM 1225 OG1 THR A 79 4.021 -11.698 -7.493 1.00 2.70 O ATOM 1226 CG2 THR A 79 2.047 -10.402 -7.820 1.00 2.20 C ATOM 0 H THR A 79 0.440 -11.100 -6.274 1.00 0.66 H new ATOM 0 HA THR A 79 2.227 -13.390 -6.131 1.00 0.95 H new ATOM 0 HB THR A 79 2.226 -12.497 -8.160 1.00 1.21 H new ATOM 0 HG1 THR A 79 4.298 -11.360 -8.370 1.00 2.70 H new ATOM 0 HG21 THR A 79 2.434 -10.107 -8.795 1.00 2.20 H new ATOM 0 HG22 THR A 79 0.959 -10.454 -7.862 1.00 2.20 H new ATOM 0 HG23 THR A 79 2.347 -9.667 -7.073 1.00 2.20 H new ATOM 1234 N GLU A 80 3.730 -12.788 -4.290 1.00 0.99 N ATOM 1235 CA GLU A 80 4.667 -12.494 -3.219 1.00 0.92 C ATOM 1236 C GLU A 80 5.713 -11.466 -3.652 1.00 0.90 C ATOM 1237 O GLU A 80 6.193 -10.709 -2.813 1.00 0.95 O ATOM 1238 CB GLU A 80 5.326 -13.772 -2.673 1.00 0.96 C ATOM 1239 CG GLU A 80 6.276 -14.493 -3.645 1.00 1.66 C ATOM 1240 CD GLU A 80 7.221 -15.424 -2.896 1.00 2.23 C ATOM 1241 OE1 GLU A 80 6.829 -16.585 -2.674 1.00 2.78 O ATOM 1242 OE2 GLU A 80 8.317 -14.941 -2.529 1.00 3.17 O ATOM 0 H GLU A 80 3.669 -13.779 -4.524 1.00 0.99 H new ATOM 0 HA GLU A 80 4.094 -12.052 -2.404 1.00 0.92 H new ATOM 0 HB2 GLU A 80 5.882 -13.517 -1.771 1.00 0.96 H new ATOM 0 HB3 GLU A 80 4.540 -14.467 -2.377 1.00 0.96 H new ATOM 0 HG2 GLU A 80 5.696 -15.064 -4.369 1.00 1.66 H new ATOM 0 HG3 GLU A 80 6.853 -13.759 -4.207 1.00 1.66 H new ATOM 1249 N SER A 81 6.074 -11.449 -4.944 1.00 0.92 N ATOM 1250 CA SER A 81 7.109 -10.564 -5.452 1.00 0.97 C ATOM 1251 C SER A 81 6.708 -9.122 -5.157 1.00 0.95 C ATOM 1252 O SER A 81 7.380 -8.435 -4.394 1.00 1.07 O ATOM 1253 CB SER A 81 7.360 -10.801 -6.950 1.00 1.01 C ATOM 1254 OG SER A 81 8.586 -10.203 -7.323 1.00 1.28 O ATOM 0 H SER A 81 5.654 -12.048 -5.655 1.00 0.92 H new ATOM 0 HA SER A 81 8.053 -10.776 -4.950 1.00 0.97 H new ATOM 0 HB2 SER A 81 7.386 -11.870 -7.161 1.00 1.01 H new ATOM 0 HB3 SER A 81 6.544 -10.380 -7.537 1.00 1.01 H new ATOM 0 HG SER A 81 8.623 -10.114 -8.298 1.00 1.28 H new ATOM 1260 N GLU A 82 5.566 -8.693 -5.700 1.00 0.89 N ATOM 1261 CA GLU A 82 5.119 -7.313 -5.606 1.00 0.86 C ATOM 1262 C GLU A 82 4.813 -6.953 -4.146 1.00 0.86 C ATOM 1263 O GLU A 82 5.202 -5.881 -3.679 1.00 0.92 O ATOM 1264 CB GLU A 82 3.913 -7.099 -6.527 1.00 0.77 C ATOM 1265 CG GLU A 82 4.203 -7.469 -7.998 1.00 1.09 C ATOM 1266 CD GLU A 82 4.711 -6.305 -8.835 1.00 1.62 C ATOM 1267 OE1 GLU A 82 5.687 -5.640 -8.451 1.00 2.92 O ATOM 1268 OE2 GLU A 82 4.085 -6.062 -9.891 1.00 2.00 O ATOM 0 H GLU A 82 4.929 -9.299 -6.217 1.00 0.89 H new ATOM 0 HA GLU A 82 5.911 -6.642 -5.939 1.00 0.86 H new ATOM 0 HB2 GLU A 82 3.077 -7.697 -6.166 1.00 0.77 H new ATOM 0 HB3 GLU A 82 3.604 -6.055 -6.475 1.00 0.77 H new ATOM 0 HG2 GLU A 82 4.941 -8.271 -8.023 1.00 1.09 H new ATOM 0 HG3 GLU A 82 3.292 -7.860 -8.451 1.00 1.09 H new ATOM 1275 N THR A 83 4.162 -7.863 -3.402 1.00 0.83 N ATOM 1276 CA THR A 83 4.018 -7.710 -1.954 1.00 0.90 C ATOM 1277 C THR A 83 5.379 -7.386 -1.331 1.00 0.89 C ATOM 1278 O THR A 83 5.501 -6.404 -0.598 1.00 0.91 O ATOM 1279 CB THR A 83 3.359 -8.957 -1.324 1.00 0.93 C ATOM 1280 OG1 THR A 83 1.956 -8.818 -1.355 1.00 0.98 O ATOM 1281 CG2 THR A 83 3.734 -9.198 0.144 1.00 0.96 C ATOM 0 H THR A 83 3.731 -8.706 -3.782 1.00 0.83 H new ATOM 0 HA THR A 83 3.349 -6.875 -1.745 1.00 0.90 H new ATOM 0 HB THR A 83 3.722 -9.797 -1.915 1.00 0.93 H new ATOM 0 HG1 THR A 83 1.568 -9.539 -1.893 1.00 0.98 H new ATOM 0 HG21 THR A 83 3.228 -10.093 0.507 1.00 0.96 H new ATOM 0 HG22 THR A 83 4.813 -9.333 0.227 1.00 0.96 H new ATOM 0 HG23 THR A 83 3.428 -8.340 0.743 1.00 0.96 H new ATOM 1289 N LYS A 84 6.408 -8.186 -1.618 1.00 0.87 N ATOM 1290 CA LYS A 84 7.722 -7.960 -1.046 1.00 0.77 C ATOM 1291 C LYS A 84 8.406 -6.715 -1.611 1.00 0.74 C ATOM 1292 O LYS A 84 9.174 -6.098 -0.889 1.00 0.69 O ATOM 1293 CB LYS A 84 8.605 -9.211 -1.110 1.00 0.88 C ATOM 1294 CG LYS A 84 8.158 -10.216 -0.035 1.00 2.08 C ATOM 1295 CD LYS A 84 9.136 -11.390 0.094 1.00 2.47 C ATOM 1296 CE LYS A 84 8.917 -12.378 -1.058 1.00 3.71 C ATOM 1297 NZ LYS A 84 9.875 -13.498 -1.047 1.00 4.63 N ATOM 0 H LYS A 84 6.350 -8.991 -2.241 1.00 0.87 H new ATOM 0 HA LYS A 84 7.567 -7.753 0.013 1.00 0.77 H new ATOM 0 HB2 LYS A 84 8.537 -9.666 -2.098 1.00 0.88 H new ATOM 0 HB3 LYS A 84 9.649 -8.939 -0.956 1.00 0.88 H new ATOM 0 HG2 LYS A 84 8.074 -9.707 0.925 1.00 2.08 H new ATOM 0 HG3 LYS A 84 7.167 -10.595 -0.283 1.00 2.08 H new ATOM 0 HD2 LYS A 84 10.162 -11.023 0.080 1.00 2.47 H new ATOM 0 HD3 LYS A 84 8.990 -11.893 1.050 1.00 2.47 H new ATOM 0 HE2 LYS A 84 7.903 -12.774 -1.002 1.00 3.71 H new ATOM 0 HE3 LYS A 84 8.999 -11.846 -2.006 1.00 3.71 H new ATOM 0 HZ1 LYS A 84 9.452 -14.322 -1.520 1.00 4.63 H new ATOM 0 HZ2 LYS A 84 10.742 -13.218 -1.549 1.00 4.63 H new ATOM 0 HZ3 LYS A 84 10.108 -13.746 -0.064 1.00 4.63 H new ATOM 1311 N SER A 85 8.145 -6.296 -2.848 1.00 0.79 N ATOM 1312 CA SER A 85 8.580 -4.995 -3.345 1.00 0.79 C ATOM 1313 C SER A 85 8.024 -3.880 -2.456 1.00 0.74 C ATOM 1314 O SER A 85 8.762 -2.980 -2.055 1.00 0.73 O ATOM 1315 CB SER A 85 8.146 -4.813 -4.804 1.00 0.87 C ATOM 1316 OG SER A 85 8.504 -5.956 -5.551 1.00 1.98 O ATOM 0 H SER A 85 7.627 -6.848 -3.531 1.00 0.79 H new ATOM 0 HA SER A 85 9.668 -4.944 -3.310 1.00 0.79 H new ATOM 0 HB2 SER A 85 7.069 -4.655 -4.856 1.00 0.87 H new ATOM 0 HB3 SER A 85 8.619 -3.927 -5.227 1.00 0.87 H new ATOM 0 HG SER A 85 8.224 -5.839 -6.483 1.00 1.98 H new ATOM 1322 N LEU A 86 6.730 -3.953 -2.128 1.00 0.74 N ATOM 1323 CA LEU A 86 6.114 -3.005 -1.205 1.00 0.69 C ATOM 1324 C LEU A 86 6.815 -3.098 0.156 1.00 0.54 C ATOM 1325 O LEU A 86 7.368 -2.106 0.638 1.00 0.50 O ATOM 1326 CB LEU A 86 4.594 -3.247 -1.120 1.00 0.81 C ATOM 1327 CG LEU A 86 3.783 -1.939 -1.066 1.00 1.02 C ATOM 1328 CD1 LEU A 86 2.284 -2.261 -1.040 1.00 2.16 C ATOM 1329 CD2 LEU A 86 4.137 -1.077 0.151 1.00 2.20 C ATOM 0 H LEU A 86 6.091 -4.661 -2.491 1.00 0.74 H new ATOM 0 HA LEU A 86 6.240 -1.985 -1.570 1.00 0.69 H new ATOM 0 HB2 LEU A 86 4.275 -3.831 -1.983 1.00 0.81 H new ATOM 0 HB3 LEU A 86 4.375 -3.842 -0.233 1.00 0.81 H new ATOM 0 HG LEU A 86 4.036 -1.367 -1.959 1.00 1.02 H new ATOM 0 HD11 LEU A 86 1.713 -1.333 -1.002 1.00 2.16 H new ATOM 0 HD12 LEU A 86 2.015 -2.816 -1.939 1.00 2.16 H new ATOM 0 HD13 LEU A 86 2.056 -2.863 -0.161 1.00 2.16 H new ATOM 0 HD21 LEU A 86 3.536 -0.167 0.140 1.00 2.20 H new ATOM 0 HD22 LEU A 86 3.933 -1.636 1.064 1.00 2.20 H new ATOM 0 HD23 LEU A 86 5.194 -0.814 0.116 1.00 2.20 H new ATOM 1341 N MET A 87 6.823 -4.301 0.744 1.00 0.52 N ATOM 1342 CA MET A 87 7.443 -4.574 2.036 1.00 0.46 C ATOM 1343 C MET A 87 8.857 -3.993 2.113 1.00 0.43 C ATOM 1344 O MET A 87 9.197 -3.288 3.055 1.00 0.47 O ATOM 1345 CB MET A 87 7.503 -6.089 2.288 1.00 0.56 C ATOM 1346 CG MET A 87 7.877 -6.443 3.736 1.00 0.78 C ATOM 1347 SD MET A 87 8.727 -8.029 3.950 1.00 1.76 S ATOM 1348 CE MET A 87 10.338 -7.645 3.222 1.00 3.09 C ATOM 0 H MET A 87 6.390 -5.123 0.323 1.00 0.52 H new ATOM 0 HA MET A 87 6.830 -4.097 2.801 1.00 0.46 H new ATOM 0 HB2 MET A 87 6.535 -6.530 2.051 1.00 0.56 H new ATOM 0 HB3 MET A 87 8.231 -6.536 1.611 1.00 0.56 H new ATOM 0 HG2 MET A 87 8.513 -5.652 4.133 1.00 0.78 H new ATOM 0 HG3 MET A 87 6.968 -6.453 4.337 1.00 0.78 H new ATOM 0 HE1 MET A 87 11.058 -8.412 3.508 1.00 3.09 H new ATOM 0 HE2 MET A 87 10.249 -7.617 2.136 1.00 3.09 H new ATOM 0 HE3 MET A 87 10.678 -6.675 3.583 1.00 3.09 H new ATOM 1358 N ALA A 88 9.680 -4.330 1.122 1.00 0.51 N ATOM 1359 CA ALA A 88 11.102 -4.047 1.049 1.00 0.53 C ATOM 1360 C ALA A 88 11.391 -2.570 1.287 1.00 0.51 C ATOM 1361 O ALA A 88 12.323 -2.235 2.013 1.00 0.56 O ATOM 1362 CB ALA A 88 11.633 -4.506 -0.315 1.00 0.65 C ATOM 0 H ALA A 88 9.347 -4.838 0.303 1.00 0.51 H new ATOM 0 HA ALA A 88 11.615 -4.596 1.838 1.00 0.53 H new ATOM 0 HB1 ALA A 88 12.701 -4.297 -0.379 1.00 0.65 H new ATOM 0 HB2 ALA A 88 11.465 -5.577 -0.429 1.00 0.65 H new ATOM 0 HB3 ALA A 88 11.111 -3.970 -1.108 1.00 0.65 H new ATOM 1368 N ALA A 89 10.605 -1.685 0.668 1.00 0.52 N ATOM 1369 CA ALA A 89 10.745 -0.256 0.899 1.00 0.53 C ATOM 1370 C ALA A 89 10.047 0.149 2.192 1.00 0.53 C ATOM 1371 O ALA A 89 10.655 0.809 3.028 1.00 0.68 O ATOM 1372 CB ALA A 89 10.198 0.526 -0.290 1.00 0.63 C ATOM 0 H ALA A 89 9.870 -1.937 0.007 1.00 0.52 H new ATOM 0 HA ALA A 89 11.804 -0.019 1.004 1.00 0.53 H new ATOM 0 HB1 ALA A 89 10.309 1.594 -0.105 1.00 0.63 H new ATOM 0 HB2 ALA A 89 10.751 0.255 -1.189 1.00 0.63 H new ATOM 0 HB3 ALA A 89 9.143 0.289 -0.427 1.00 0.63 H new ATOM 1378 N ALA A 90 8.769 -0.223 2.336 1.00 0.44 N ATOM 1379 CA ALA A 90 7.932 0.161 3.470 1.00 0.42 C ATOM 1380 C ALA A 90 8.636 -0.079 4.803 1.00 0.32 C ATOM 1381 O ALA A 90 8.584 0.765 5.697 1.00 0.34 O ATOM 1382 CB ALA A 90 6.627 -0.631 3.419 1.00 0.47 C ATOM 0 H ALA A 90 8.284 -0.808 1.656 1.00 0.44 H new ATOM 0 HA ALA A 90 7.727 1.229 3.398 1.00 0.42 H new ATOM 0 HB1 ALA A 90 5.997 -0.349 4.263 1.00 0.47 H new ATOM 0 HB2 ALA A 90 6.105 -0.412 2.488 1.00 0.47 H new ATOM 0 HB3 ALA A 90 6.846 -1.697 3.470 1.00 0.47 H new ATOM 1388 N ASP A 91 9.275 -1.242 4.938 1.00 0.29 N ATOM 1389 CA ASP A 91 10.026 -1.583 6.125 1.00 0.26 C ATOM 1390 C ASP A 91 11.317 -0.767 6.157 1.00 0.31 C ATOM 1391 O ASP A 91 12.393 -1.258 5.815 1.00 0.93 O ATOM 1392 CB ASP A 91 10.300 -3.088 6.183 1.00 0.37 C ATOM 1393 CG ASP A 91 10.970 -3.428 7.499 1.00 0.51 C ATOM 1394 OD1 ASP A 91 10.244 -3.552 8.511 1.00 0.83 O ATOM 1395 OD2 ASP A 91 12.204 -3.595 7.522 1.00 0.62 O ATOM 0 H ASP A 91 9.280 -1.968 4.221 1.00 0.29 H new ATOM 0 HA ASP A 91 9.440 -1.336 7.010 1.00 0.26 H new ATOM 0 HB2 ASP A 91 9.367 -3.643 6.084 1.00 0.37 H new ATOM 0 HB3 ASP A 91 10.938 -3.385 5.350 1.00 0.37 H new ATOM 1400 N ASN A 92 11.234 0.490 6.589 1.00 0.89 N ATOM 1401 CA ASN A 92 12.396 1.358 6.751 1.00 1.02 C ATOM 1402 C ASN A 92 13.174 1.003 8.028 1.00 1.01 C ATOM 1403 O ASN A 92 13.519 1.889 8.807 1.00 1.36 O ATOM 1404 CB ASN A 92 11.990 2.845 6.659 1.00 1.36 C ATOM 1405 CG ASN A 92 10.970 3.298 7.704 1.00 1.39 C ATOM 1406 OD1 ASN A 92 10.391 2.484 8.415 1.00 2.58 O ATOM 1407 ND2 ASN A 92 10.691 4.599 7.794 1.00 2.00 N ATOM 0 H ASN A 92 10.352 0.937 6.838 1.00 0.89 H new ATOM 0 HA ASN A 92 13.087 1.186 5.926 1.00 1.02 H new ATOM 0 HB2 ASN A 92 12.886 3.458 6.757 1.00 1.36 H new ATOM 0 HB3 ASN A 92 11.581 3.034 5.667 1.00 1.36 H new ATOM 0 HD21 ASN A 92 9.990 4.925 8.459 1.00 2.00 H new ATOM 0 HD22 ASN A 92 11.179 5.268 7.198 1.00 2.00 H new ATOM 1414 N ASP A 93 13.489 -0.289 8.200 1.00 0.85 N ATOM 1415 CA ASP A 93 14.248 -0.855 9.312 1.00 0.86 C ATOM 1416 C ASP A 93 15.251 -1.876 8.775 1.00 0.80 C ATOM 1417 O ASP A 93 16.456 -1.747 8.980 1.00 0.96 O ATOM 1418 CB ASP A 93 13.325 -1.614 10.277 1.00 0.87 C ATOM 1419 CG ASP A 93 12.424 -0.744 11.128 1.00 1.04 C ATOM 1420 OD1 ASP A 93 12.958 0.057 11.920 1.00 1.46 O ATOM 1421 OD2 ASP A 93 11.197 -0.971 11.011 1.00 0.94 O ATOM 0 H ASP A 93 13.203 -1.001 7.528 1.00 0.85 H new ATOM 0 HA ASP A 93 14.742 -0.031 9.827 1.00 0.86 H new ATOM 0 HB2 ASP A 93 12.703 -2.296 9.698 1.00 0.87 H new ATOM 0 HB3 ASP A 93 13.940 -2.226 10.936 1.00 0.87 H new ATOM 1426 N GLY A 94 14.725 -2.929 8.143 1.00 0.70 N ATOM 1427 CA GLY A 94 15.412 -4.183 7.888 1.00 0.80 C ATOM 1428 C GLY A 94 14.900 -5.274 8.837 1.00 0.82 C ATOM 1429 O GLY A 94 15.703 -6.016 9.399 1.00 1.01 O ATOM 0 H GLY A 94 13.770 -2.923 7.784 1.00 0.70 H new ATOM 0 HA2 GLY A 94 15.254 -4.488 6.854 1.00 0.80 H new ATOM 0 HA3 GLY A 94 16.486 -4.051 8.021 1.00 0.80 H new ATOM 1433 N ASP A 95 13.574 -5.383 8.998 1.00 0.65 N ATOM 1434 CA ASP A 95 12.896 -6.448 9.735 1.00 0.65 C ATOM 1435 C ASP A 95 11.812 -7.101 8.864 1.00 0.62 C ATOM 1436 O ASP A 95 11.884 -8.305 8.622 1.00 0.73 O ATOM 1437 CB ASP A 95 12.410 -5.984 11.125 1.00 0.63 C ATOM 1438 CG ASP A 95 11.309 -4.935 11.126 1.00 0.82 C ATOM 1439 OD1 ASP A 95 10.159 -5.238 10.778 1.00 1.25 O ATOM 1440 OD2 ASP A 95 11.544 -3.760 11.461 1.00 2.16 O ATOM 0 H ASP A 95 12.924 -4.704 8.602 1.00 0.65 H new ATOM 0 HA ASP A 95 13.619 -7.233 9.957 1.00 0.65 H new ATOM 0 HB2 ASP A 95 12.055 -6.856 11.675 1.00 0.63 H new ATOM 0 HB3 ASP A 95 13.264 -5.587 11.674 1.00 0.63 H new ATOM 1445 N GLY A 96 10.839 -6.333 8.364 1.00 0.51 N ATOM 1446 CA GLY A 96 9.786 -6.800 7.463 1.00 0.49 C ATOM 1447 C GLY A 96 8.391 -6.516 8.026 1.00 0.47 C ATOM 1448 O GLY A 96 7.424 -6.399 7.274 1.00 0.66 O ATOM 0 H GLY A 96 10.762 -5.340 8.583 1.00 0.51 H new ATOM 0 HA2 GLY A 96 9.893 -6.312 6.494 1.00 0.49 H new ATOM 0 HA3 GLY A 96 9.899 -7.871 7.295 1.00 0.49 H new ATOM 1452 N LYS A 97 8.282 -6.404 9.350 1.00 0.49 N ATOM 1453 CA LYS A 97 7.070 -6.054 10.061 1.00 0.48 C ATOM 1454 C LYS A 97 6.920 -4.536 9.941 1.00 0.43 C ATOM 1455 O LYS A 97 7.754 -3.786 10.457 1.00 0.56 O ATOM 1456 CB LYS A 97 7.203 -6.484 11.533 1.00 0.57 C ATOM 1457 CG LYS A 97 7.639 -7.952 11.698 1.00 1.56 C ATOM 1458 CD LYS A 97 8.018 -8.249 13.157 1.00 1.70 C ATOM 1459 CE LYS A 97 6.791 -8.458 14.057 1.00 3.01 C ATOM 1460 NZ LYS A 97 6.311 -9.853 14.027 1.00 4.10 N ATOM 0 H LYS A 97 9.073 -6.563 9.974 1.00 0.49 H new ATOM 0 HA LYS A 97 6.193 -6.554 9.650 1.00 0.48 H new ATOM 0 HB2 LYS A 97 7.927 -5.838 12.030 1.00 0.57 H new ATOM 0 HB3 LYS A 97 6.247 -6.337 12.036 1.00 0.57 H new ATOM 0 HG2 LYS A 97 6.831 -8.613 11.386 1.00 1.56 H new ATOM 0 HG3 LYS A 97 8.489 -8.159 11.048 1.00 1.56 H new ATOM 0 HD2 LYS A 97 8.645 -9.140 13.191 1.00 1.70 H new ATOM 0 HD3 LYS A 97 8.614 -7.425 13.548 1.00 1.70 H new ATOM 0 HE2 LYS A 97 7.043 -8.184 15.081 1.00 3.01 H new ATOM 0 HE3 LYS A 97 5.989 -7.792 13.737 1.00 3.01 H new ATOM 0 HZ1 LYS A 97 5.482 -9.948 14.648 1.00 4.10 H new ATOM 0 HZ2 LYS A 97 6.046 -10.108 13.054 1.00 4.10 H new ATOM 0 HZ3 LYS A 97 7.066 -10.487 14.357 1.00 4.10 H new ATOM 1474 N ILE A 98 5.898 -4.076 9.222 1.00 0.38 N ATOM 1475 CA ILE A 98 5.677 -2.662 8.943 1.00 0.34 C ATOM 1476 C ILE A 98 4.613 -2.155 9.905 1.00 0.39 C ATOM 1477 O ILE A 98 3.667 -2.877 10.189 1.00 0.72 O ATOM 1478 CB ILE A 98 5.284 -2.533 7.465 1.00 0.34 C ATOM 1479 CG1 ILE A 98 6.531 -2.848 6.624 1.00 0.37 C ATOM 1480 CG2 ILE A 98 4.725 -1.161 7.067 1.00 0.45 C ATOM 1481 CD1 ILE A 98 6.184 -3.721 5.427 1.00 0.55 C ATOM 0 H ILE A 98 5.191 -4.686 8.812 1.00 0.38 H new ATOM 0 HA ILE A 98 6.566 -2.051 9.097 1.00 0.34 H new ATOM 0 HB ILE A 98 4.469 -3.234 7.284 1.00 0.34 H new ATOM 0 HG12 ILE A 98 6.984 -1.919 6.280 1.00 0.37 H new ATOM 0 HG13 ILE A 98 7.272 -3.354 7.243 1.00 0.37 H new ATOM 0 HG21 ILE A 98 4.475 -1.164 6.006 1.00 0.45 H new ATOM 0 HG22 ILE A 98 3.829 -0.950 7.650 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.473 -0.393 7.262 1.00 0.45 H new ATOM 0 HD11 ILE A 98 7.087 -3.926 4.852 1.00 0.55 H new ATOM 0 HD12 ILE A 98 5.754 -4.660 5.774 1.00 0.55 H new ATOM 0 HD13 ILE A 98 5.462 -3.203 4.796 1.00 0.55 H new ATOM 1493 N GLY A 99 4.755 -0.937 10.429 1.00 0.59 N ATOM 1494 CA GLY A 99 3.773 -0.317 11.310 1.00 0.61 C ATOM 1495 C GLY A 99 3.150 0.903 10.651 1.00 0.51 C ATOM 1496 O GLY A 99 3.535 1.290 9.548 1.00 0.50 O ATOM 0 H GLY A 99 5.568 -0.348 10.249 1.00 0.59 H new ATOM 0 HA2 GLY A 99 2.995 -1.038 11.559 1.00 0.61 H new ATOM 0 HA3 GLY A 99 4.250 -0.026 12.246 1.00 0.61 H new ATOM 1500 N ALA A 100 2.192 1.533 11.336 1.00 0.53 N ATOM 1501 CA ALA A 100 1.574 2.753 10.842 1.00 0.55 C ATOM 1502 C ALA A 100 2.631 3.836 10.700 1.00 0.49 C ATOM 1503 O ALA A 100 2.600 4.586 9.731 1.00 0.53 O ATOM 1504 CB ALA A 100 0.460 3.218 11.773 1.00 0.65 C ATOM 0 H ALA A 100 1.831 1.213 12.235 1.00 0.53 H new ATOM 0 HA ALA A 100 1.131 2.550 9.867 1.00 0.55 H new ATOM 0 HB1 ALA A 100 0.015 4.132 11.380 1.00 0.65 H new ATOM 0 HB2 ALA A 100 -0.304 2.443 11.842 1.00 0.65 H new ATOM 0 HB3 ALA A 100 0.871 3.412 12.764 1.00 0.65 H new ATOM 1510 N GLU A 101 3.568 3.898 11.653 1.00 0.46 N ATOM 1511 CA GLU A 101 4.708 4.788 11.567 1.00 0.46 C ATOM 1512 C GLU A 101 5.474 4.531 10.272 1.00 0.35 C ATOM 1513 O GLU A 101 5.508 5.405 9.417 1.00 0.39 O ATOM 1514 CB GLU A 101 5.601 4.657 12.806 1.00 0.60 C ATOM 1515 CG GLU A 101 4.953 5.367 14.000 1.00 1.46 C ATOM 1516 CD GLU A 101 5.828 5.280 15.242 1.00 1.47 C ATOM 1517 OE1 GLU A 101 6.943 5.840 15.189 1.00 2.30 O ATOM 1518 OE2 GLU A 101 5.357 4.658 16.218 1.00 2.29 O ATOM 0 H GLU A 101 3.548 3.330 12.500 1.00 0.46 H new ATOM 0 HA GLU A 101 4.355 5.819 11.544 1.00 0.46 H new ATOM 0 HB2 GLU A 101 5.758 3.604 13.041 1.00 0.60 H new ATOM 0 HB3 GLU A 101 6.581 5.089 12.605 1.00 0.60 H new ATOM 0 HG2 GLU A 101 4.776 6.413 13.751 1.00 1.46 H new ATOM 0 HG3 GLU A 101 3.981 4.920 14.207 1.00 1.46 H new ATOM 1525 N GLU A 102 6.043 3.332 10.112 1.00 0.31 N ATOM 1526 CA GLU A 102 6.811 2.943 8.932 1.00 0.28 C ATOM 1527 C GLU A 102 6.040 3.279 7.641 1.00 0.29 C ATOM 1528 O GLU A 102 6.571 3.892 6.714 1.00 0.32 O ATOM 1529 CB GLU A 102 7.162 1.445 9.009 1.00 0.28 C ATOM 1530 CG GLU A 102 7.789 1.012 10.351 1.00 0.63 C ATOM 1531 CD GLU A 102 8.309 -0.423 10.344 1.00 0.58 C ATOM 1532 OE1 GLU A 102 8.793 -0.931 9.314 1.00 1.68 O ATOM 1533 OE2 GLU A 102 8.268 -1.122 11.377 1.00 2.20 O ATOM 0 H GLU A 102 5.980 2.594 10.813 1.00 0.31 H new ATOM 0 HA GLU A 102 7.741 3.511 8.909 1.00 0.28 H new ATOM 0 HB2 GLU A 102 6.257 0.862 8.838 1.00 0.28 H new ATOM 0 HB3 GLU A 102 7.854 1.203 8.202 1.00 0.28 H new ATOM 0 HG2 GLU A 102 8.610 1.687 10.594 1.00 0.63 H new ATOM 0 HG3 GLU A 102 7.046 1.117 11.141 1.00 0.63 H new ATOM 1540 N PHE A 103 4.757 2.903 7.600 1.00 0.30 N ATOM 1541 CA PHE A 103 3.899 3.129 6.447 1.00 0.38 C ATOM 1542 C PHE A 103 3.737 4.626 6.163 1.00 0.36 C ATOM 1543 O PHE A 103 4.027 5.074 5.057 1.00 0.38 O ATOM 1544 CB PHE A 103 2.548 2.439 6.669 1.00 0.49 C ATOM 1545 CG PHE A 103 1.504 2.776 5.624 1.00 1.51 C ATOM 1546 CD1 PHE A 103 1.656 2.326 4.300 1.00 2.20 C ATOM 1547 CD2 PHE A 103 0.449 3.648 5.946 1.00 3.32 C ATOM 1548 CE1 PHE A 103 0.721 2.704 3.319 1.00 3.06 C ATOM 1549 CE2 PHE A 103 -0.509 3.982 4.974 1.00 4.28 C ATOM 1550 CZ PHE A 103 -0.382 3.500 3.664 1.00 3.75 C ATOM 0 H PHE A 103 4.289 2.431 8.374 1.00 0.30 H new ATOM 0 HA PHE A 103 4.365 2.693 5.564 1.00 0.38 H new ATOM 0 HB2 PHE A 103 2.701 1.360 6.680 1.00 0.49 H new ATOM 0 HB3 PHE A 103 2.167 2.717 7.651 1.00 0.49 H new ATOM 0 HD1 PHE A 103 2.489 1.691 4.037 1.00 2.20 H new ATOM 0 HD2 PHE A 103 0.375 4.061 6.941 1.00 3.32 H new ATOM 0 HE1 PHE A 103 0.853 2.380 2.297 1.00 3.06 H new ATOM 0 HE2 PHE A 103 -1.346 4.612 5.237 1.00 4.28 H new ATOM 0 HZ PHE A 103 -1.130 3.740 2.923 1.00 3.75 H new ATOM 1560 N GLN A 104 3.281 5.401 7.153 1.00 0.39 N ATOM 1561 CA GLN A 104 3.167 6.852 7.054 1.00 0.40 C ATOM 1562 C GLN A 104 4.505 7.436 6.606 1.00 0.42 C ATOM 1563 O GLN A 104 4.507 8.317 5.764 1.00 0.53 O ATOM 1564 CB GLN A 104 2.726 7.440 8.401 1.00 0.51 C ATOM 1565 CG GLN A 104 2.385 8.933 8.269 1.00 0.80 C ATOM 1566 CD GLN A 104 2.109 9.589 9.616 1.00 1.27 C ATOM 1567 OE1 GLN A 104 2.697 10.611 9.952 1.00 2.56 O ATOM 1568 NE2 GLN A 104 1.195 9.028 10.403 1.00 2.33 N ATOM 0 H GLN A 104 2.979 5.030 8.054 1.00 0.39 H new ATOM 0 HA GLN A 104 2.410 7.112 6.314 1.00 0.40 H new ATOM 0 HB2 GLN A 104 1.857 6.897 8.771 1.00 0.51 H new ATOM 0 HB3 GLN A 104 3.520 7.309 9.136 1.00 0.51 H new ATOM 0 HG2 GLN A 104 3.211 9.449 7.779 1.00 0.80 H new ATOM 0 HG3 GLN A 104 1.512 9.048 7.627 1.00 0.80 H new ATOM 0 HE21 GLN A 104 0.717 8.178 10.104 1.00 2.33 H new ATOM 0 HE22 GLN A 104 0.972 9.448 11.305 1.00 2.33 H new ATOM 1577 N GLU A 105 5.629 6.959 7.142 1.00 0.42 N ATOM 1578 CA GLU A 105 6.966 7.409 6.775 1.00 0.48 C ATOM 1579 C GLU A 105 7.153 7.320 5.258 1.00 0.43 C ATOM 1580 O GLU A 105 7.401 8.330 4.601 1.00 0.47 O ATOM 1581 CB GLU A 105 8.027 6.590 7.535 1.00 0.57 C ATOM 1582 CG GLU A 105 8.984 7.484 8.334 1.00 1.11 C ATOM 1583 CD GLU A 105 10.006 8.134 7.418 1.00 2.56 C ATOM 1584 OE1 GLU A 105 10.808 7.352 6.852 1.00 3.96 O ATOM 1585 OE2 GLU A 105 9.961 9.377 7.306 1.00 3.36 O ATOM 0 H GLU A 105 5.632 6.233 7.859 1.00 0.42 H new ATOM 0 HA GLU A 105 7.090 8.454 7.061 1.00 0.48 H new ATOM 0 HB2 GLU A 105 7.531 5.895 8.212 1.00 0.57 H new ATOM 0 HB3 GLU A 105 8.598 5.991 6.826 1.00 0.57 H new ATOM 0 HG2 GLU A 105 8.417 8.254 8.858 1.00 1.11 H new ATOM 0 HG3 GLU A 105 9.494 6.891 9.093 1.00 1.11 H new ATOM 1592 N MET A 106 6.972 6.126 4.684 1.00 0.41 N ATOM 1593 CA MET A 106 7.036 5.973 3.235 1.00 0.51 C ATOM 1594 C MET A 106 6.051 6.933 2.578 1.00 0.52 C ATOM 1595 O MET A 106 6.404 7.708 1.690 1.00 0.63 O ATOM 1596 CB MET A 106 6.774 4.522 2.809 1.00 0.79 C ATOM 1597 CG MET A 106 8.091 3.847 2.413 1.00 1.05 C ATOM 1598 SD MET A 106 9.293 3.631 3.756 1.00 3.05 S ATOM 1599 CE MET A 106 10.544 4.862 3.319 1.00 3.36 C ATOM 0 H MET A 106 6.783 5.265 5.196 1.00 0.41 H new ATOM 0 HA MET A 106 8.044 6.220 2.901 1.00 0.51 H new ATOM 0 HB2 MET A 106 6.306 3.973 3.626 1.00 0.79 H new ATOM 0 HB3 MET A 106 6.078 4.500 1.970 1.00 0.79 H new ATOM 0 HG2 MET A 106 7.865 2.868 1.991 1.00 1.05 H new ATOM 0 HG3 MET A 106 8.557 4.435 1.623 1.00 1.05 H new ATOM 0 HE1 MET A 106 11.483 4.619 3.816 1.00 3.36 H new ATOM 0 HE2 MET A 106 10.694 4.861 2.239 1.00 3.36 H new ATOM 0 HE3 MET A 106 10.210 5.849 3.638 1.00 3.36 H new ATOM 1609 N VAL A 107 4.806 6.884 3.043 1.00 0.55 N ATOM 1610 CA VAL A 107 3.711 7.603 2.433 1.00 0.66 C ATOM 1611 C VAL A 107 3.770 9.124 2.692 1.00 0.87 C ATOM 1612 O VAL A 107 3.006 9.893 2.117 1.00 1.47 O ATOM 1613 CB VAL A 107 2.396 6.897 2.794 1.00 0.52 C ATOM 1614 CG1 VAL A 107 1.185 7.625 2.226 1.00 0.62 C ATOM 1615 CG2 VAL A 107 2.395 5.491 2.175 1.00 0.47 C ATOM 0 H VAL A 107 4.535 6.338 3.861 1.00 0.55 H new ATOM 0 HA VAL A 107 3.791 7.566 1.347 1.00 0.66 H new ATOM 0 HB VAL A 107 2.331 6.873 3.882 1.00 0.52 H new ATOM 0 HG11 VAL A 107 0.276 7.092 2.505 1.00 0.62 H new ATOM 0 HG12 VAL A 107 1.149 8.638 2.626 1.00 0.62 H new ATOM 0 HG13 VAL A 107 1.262 7.667 1.140 1.00 0.62 H new ATOM 0 HG21 VAL A 107 1.464 4.983 2.427 1.00 0.47 H new ATOM 0 HG22 VAL A 107 2.483 5.570 1.091 1.00 0.47 H new ATOM 0 HG23 VAL A 107 3.237 4.920 2.567 1.00 0.47 H new ATOM 1625 N HIS A 108 4.706 9.586 3.516 1.00 0.69 N ATOM 1626 CA HIS A 108 4.967 10.993 3.764 1.00 0.85 C ATOM 1627 C HIS A 108 6.036 11.519 2.794 1.00 0.91 C ATOM 1628 O HIS A 108 6.298 12.720 2.780 1.00 1.13 O ATOM 1629 CB HIS A 108 5.396 11.135 5.236 1.00 1.18 C ATOM 1630 CG HIS A 108 5.867 12.500 5.665 1.00 1.70 C ATOM 1631 ND1 HIS A 108 5.087 13.625 5.788 1.00 1.77 N ATOM 1632 CD2 HIS A 108 7.136 12.825 6.068 1.00 2.97 C ATOM 1633 CE1 HIS A 108 5.875 14.610 6.255 1.00 2.17 C ATOM 1634 NE2 HIS A 108 7.129 14.172 6.447 1.00 3.02 N ATOM 0 H HIS A 108 5.322 8.968 4.045 1.00 0.69 H new ATOM 0 HA HIS A 108 4.074 11.593 3.591 1.00 0.85 H new ATOM 0 HB2 HIS A 108 4.554 10.850 5.867 1.00 1.18 H new ATOM 0 HB3 HIS A 108 6.196 10.420 5.430 1.00 1.18 H new ATOM 0 HD2 HIS A 108 7.988 12.161 6.089 1.00 2.97 H new ATOM 0 HE1 HIS A 108 5.543 15.619 6.450 1.00 2.17 H new ATOM 0 HE2 HIS A 108 7.919 14.713 6.799 1.00 3.02 H new ATOM 1642 N SER A 109 6.678 10.630 2.026 1.00 1.01 N ATOM 1643 CA SER A 109 7.858 10.978 1.253 1.00 1.20 C ATOM 1644 C SER A 109 7.554 11.789 -0.017 1.00 1.76 C ATOM 1645 O SER A 109 8.569 12.155 -0.652 1.00 2.20 O ATOM 1646 CB SER A 109 8.630 9.702 0.895 1.00 1.16 C ATOM 1647 OG SER A 109 9.870 10.058 0.313 1.00 1.47 O ATOM 1648 OXT SER A 109 6.365 11.966 -0.384 1.00 2.37 O ATOM 0 H SER A 109 6.389 9.656 1.929 1.00 1.01 H new ATOM 0 HA SER A 109 8.464 11.628 1.884 1.00 1.20 H new ATOM 0 HB2 SER A 109 8.793 9.099 1.788 1.00 1.16 H new ATOM 0 HB3 SER A 109 8.050 9.094 0.201 1.00 1.16 H new ATOM 0 HG SER A 109 9.771 10.900 -0.178 1.00 1.47 H new