USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 1 MET CE :methyl -179:sc= -4.89 (180deg=-4.36) USER MOD Set 1.2: A 12 SER OG : rot -135:sc= -1.19 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00433 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 1.17 USER MOD Single : A 19 MET CE :methyl -173:sc= -6.56! (180deg=-6.9!) USER MOD Single : A 20 ASN : amide:sc= -1.38 K(o=-1.4,f=-7.2!) USER MOD Single : A 22 ASN : amide:sc= 0.593 K(o=0.59,f=-6!) USER MOD Single : A 31 ASN : amide:sc= -0.568 K(o=-0.57,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.203 (180deg=-0.487) USER MOD Single : A 37 SER OG : rot -50:sc= 0.914 USER MOD Single : A 40 HIS : no HE2:sc= -3.11! C(o=-3.1!,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.750 -4.472 -4.297 1.00 0.00 N ATOM 2 CA MET A 1 10.169 -4.831 -2.917 1.00 0.00 C ATOM 3 C MET A 1 9.903 -6.308 -2.628 1.00 0.00 C ATOM 4 O MET A 1 9.047 -6.650 -1.810 1.00 0.00 O ATOM 5 CB MET A 1 9.401 -3.945 -1.932 1.00 0.00 C ATOM 6 CG MET A 1 10.126 -2.652 -1.587 1.00 0.00 C ATOM 7 SD MET A 1 10.093 -2.276 0.177 1.00 0.00 S ATOM 8 CE MET A 1 8.328 -2.177 0.471 1.00 0.00 C ATOM 0 H1 MET A 1 9.942 -3.464 -4.467 1.00 0.00 H new ATOM 0 H2 MET A 1 10.282 -5.046 -4.982 1.00 0.00 H new ATOM 0 H3 MET A 1 8.732 -4.655 -4.409 1.00 0.00 H new ATOM 0 HA MET A 1 11.241 -4.667 -2.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.426 -3.704 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.220 -4.506 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.162 -2.723 -1.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.671 -1.828 -2.137 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.147 -1.932 1.518 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.896 -1.402 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.866 -3.136 0.237 1.00 0.00 H new ATOM 20 N ARG A 2 10.638 -7.180 -3.310 1.00 0.00 N ATOM 21 CA ARG A 2 10.481 -8.620 -3.135 1.00 0.00 C ATOM 22 C ARG A 2 11.279 -9.127 -1.935 1.00 0.00 C ATOM 23 O ARG A 2 10.793 -9.950 -1.159 1.00 0.00 O ATOM 24 CB ARG A 2 10.923 -9.359 -4.400 1.00 0.00 C ATOM 25 CG ARG A 2 10.305 -8.809 -5.675 1.00 0.00 C ATOM 26 CD ARG A 2 11.259 -8.929 -6.852 1.00 0.00 C ATOM 27 NE ARG A 2 11.442 -10.318 -7.269 1.00 0.00 N ATOM 28 CZ ARG A 2 12.048 -10.686 -8.399 1.00 0.00 C ATOM 29 NH1 ARG A 2 12.534 -9.773 -9.234 1.00 0.00 N ATOM 30 NH2 ARG A 2 12.167 -11.973 -8.695 1.00 0.00 N ATOM 0 H ARG A 2 11.350 -6.914 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 2 9.425 -8.818 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.009 -9.306 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.661 -10.413 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.383 -9.347 -5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.036 -7.763 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.876 -8.346 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.224 -8.502 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 2 11.084 -11.052 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.445 -8.781 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.996 -10.064 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.796 -12.679 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.630 -12.257 -9.558 1.00 0.00 H new ATOM 44 N LYS A 3 12.507 -8.638 -1.794 1.00 0.00 N ATOM 45 CA LYS A 3 13.374 -9.053 -0.695 1.00 0.00 C ATOM 46 C LYS A 3 12.857 -8.540 0.647 1.00 0.00 C ATOM 47 O LYS A 3 13.363 -7.554 1.182 1.00 0.00 O ATOM 48 CB LYS A 3 14.801 -8.551 -0.929 1.00 0.00 C ATOM 49 CG LYS A 3 15.808 -9.095 0.072 1.00 0.00 C ATOM 50 CD LYS A 3 17.038 -8.205 0.169 1.00 0.00 C ATOM 51 CE LYS A 3 18.214 -8.790 -0.596 1.00 0.00 C ATOM 52 NZ LYS A 3 19.340 -7.823 -0.709 1.00 0.00 N ATOM 0 H LYS A 3 12.924 -7.955 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 3 13.374 -10.143 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.115 -8.829 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.807 -7.462 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.339 -9.177 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.108 -10.101 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.804 -7.216 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.312 -8.076 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.560 -9.693 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.888 -9.085 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.122 -8.261 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.017 -6.971 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.669 -7.561 0.242 1.00 0.00 H new ATOM 66 N LEU A 4 11.847 -9.218 1.188 1.00 0.00 N ATOM 67 CA LEU A 4 11.264 -8.834 2.472 1.00 0.00 C ATOM 68 C LEU A 4 10.125 -9.771 2.861 1.00 0.00 C ATOM 69 O LEU A 4 9.483 -10.376 2.002 1.00 0.00 O ATOM 70 CB LEU A 4 10.752 -7.393 2.420 1.00 0.00 C ATOM 71 CG LEU A 4 10.088 -6.981 1.103 1.00 0.00 C ATOM 72 CD1 LEU A 4 8.991 -7.964 0.725 1.00 0.00 C ATOM 73 CD2 LEU A 4 9.526 -5.572 1.213 1.00 0.00 C ATOM 0 H LEU A 4 11.415 -10.036 0.757 1.00 0.00 H new ATOM 0 HA LEU A 4 12.047 -8.908 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.036 -7.250 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.588 -6.721 2.612 1.00 0.00 H new ATOM 0 HG LEU A 4 10.843 -6.994 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.532 -7.653 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.419 -8.959 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.235 -7.985 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.057 -5.293 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.784 -5.537 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.333 -4.875 1.437 1.00 0.00 H new ATOM 85 N SER A 5 9.872 -9.875 4.162 1.00 0.00 N ATOM 86 CA SER A 5 8.801 -10.724 4.670 1.00 0.00 C ATOM 87 C SER A 5 7.469 -9.992 4.600 1.00 0.00 C ATOM 88 O SER A 5 7.433 -8.769 4.466 1.00 0.00 O ATOM 89 CB SER A 5 9.093 -11.140 6.113 1.00 0.00 C ATOM 90 OG SER A 5 10.485 -11.127 6.376 1.00 0.00 O ATOM 0 H SER A 5 10.395 -9.381 4.884 1.00 0.00 H new ATOM 0 HA SER A 5 8.745 -11.619 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.584 -10.464 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.695 -12.138 6.295 1.00 0.00 H new ATOM 0 HG SER A 5 10.645 -11.395 7.305 1.00 0.00 H new ATOM 96 N ASP A 6 6.371 -10.738 4.701 1.00 0.00 N ATOM 97 CA ASP A 6 5.039 -10.127 4.656 1.00 0.00 C ATOM 98 C ASP A 6 4.897 -9.084 5.763 1.00 0.00 C ATOM 99 O ASP A 6 4.108 -8.147 5.649 1.00 0.00 O ATOM 100 CB ASP A 6 3.913 -11.167 4.788 1.00 0.00 C ATOM 101 CG ASP A 6 4.246 -12.507 4.157 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.201 -12.605 2.912 1.00 0.00 O ATOM 103 OD2 ASP A 6 4.550 -13.459 4.907 1.00 0.00 O ATOM 0 H ASP A 6 6.373 -11.752 4.813 1.00 0.00 H new ATOM 0 HA ASP A 6 4.942 -9.651 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.691 -11.318 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.009 -10.772 4.325 1.00 0.00 H new ATOM 108 N GLU A 7 5.677 -9.247 6.829 1.00 0.00 N ATOM 109 CA GLU A 7 5.639 -8.311 7.942 1.00 0.00 C ATOM 110 C GLU A 7 6.322 -7.007 7.555 1.00 0.00 C ATOM 111 O GLU A 7 5.887 -5.926 7.942 1.00 0.00 O ATOM 112 CB GLU A 7 6.304 -8.922 9.179 1.00 0.00 C ATOM 113 CG GLU A 7 5.317 -9.318 10.266 1.00 0.00 C ATOM 114 CD GLU A 7 5.992 -9.965 11.458 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.521 -11.086 11.305 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.991 -9.352 12.547 1.00 0.00 O ATOM 0 H GLU A 7 6.339 -10.015 6.942 1.00 0.00 H new ATOM 0 HA GLU A 7 4.598 -8.098 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.873 -9.802 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.016 -8.206 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.773 -8.434 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.582 -10.008 9.851 1.00 0.00 H new ATOM 123 N LEU A 8 7.388 -7.126 6.773 1.00 0.00 N ATOM 124 CA LEU A 8 8.133 -5.963 6.308 1.00 0.00 C ATOM 125 C LEU A 8 7.446 -5.341 5.099 1.00 0.00 C ATOM 126 O LEU A 8 7.467 -4.125 4.913 1.00 0.00 O ATOM 127 CB LEU A 8 9.563 -6.355 5.953 1.00 0.00 C ATOM 128 CG LEU A 8 10.531 -6.356 7.133 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.751 -4.941 7.644 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.013 -7.254 8.247 1.00 0.00 C ATOM 0 H LEU A 8 7.757 -8.019 6.447 1.00 0.00 H new ATOM 0 HA LEU A 8 8.161 -5.228 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.553 -7.349 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.937 -5.668 5.194 1.00 0.00 H new ATOM 0 HG LEU A 8 11.489 -6.750 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.444 -4.962 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.167 -4.327 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.800 -4.519 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.716 -7.243 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.043 -6.891 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.909 -8.273 7.874 1.00 0.00 H new ATOM 142 N LEU A 9 6.830 -6.193 4.284 1.00 0.00 N ATOM 143 CA LEU A 9 6.125 -5.743 3.091 1.00 0.00 C ATOM 144 C LEU A 9 4.801 -5.097 3.465 1.00 0.00 C ATOM 145 O LEU A 9 4.463 -4.018 2.978 1.00 0.00 O ATOM 146 CB LEU A 9 5.890 -6.924 2.143 1.00 0.00 C ATOM 147 CG LEU A 9 5.030 -6.622 0.912 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.836 -5.861 -0.129 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.478 -7.913 0.321 1.00 0.00 C ATOM 0 H LEU A 9 6.806 -7.202 4.430 1.00 0.00 H new ATOM 0 HA LEU A 9 6.739 -4.999 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.858 -7.295 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.418 -7.730 2.705 1.00 0.00 H new ATOM 0 HG LEU A 9 4.192 -5.997 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.208 -5.655 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.185 -4.921 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.693 -6.461 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.869 -7.682 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.304 -8.561 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.866 -8.421 1.066 1.00 0.00 H new ATOM 161 N ILE A 10 4.054 -5.761 4.333 1.00 0.00 N ATOM 162 CA ILE A 10 2.769 -5.245 4.765 1.00 0.00 C ATOM 163 C ILE A 10 2.953 -3.997 5.619 1.00 0.00 C ATOM 164 O ILE A 10 2.161 -3.058 5.542 1.00 0.00 O ATOM 165 CB ILE A 10 1.962 -6.320 5.521 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.679 -7.485 4.578 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.657 -5.756 6.071 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.337 -8.762 5.294 1.00 0.00 C ATOM 0 H ILE A 10 4.316 -6.655 4.750 1.00 0.00 H new ATOM 0 HA ILE A 10 2.199 -4.970 3.877 1.00 0.00 H new ATOM 0 HB ILE A 10 2.551 -6.665 6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.855 -7.216 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.552 -7.653 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.115 -6.541 6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.875 -4.941 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.047 -5.382 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.148 -9.549 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.169 -9.054 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.446 -8.610 5.903 1.00 0.00 H new ATOM 180 N GLU A 11 4.015 -3.983 6.412 1.00 0.00 N ATOM 181 CA GLU A 11 4.311 -2.832 7.252 1.00 0.00 C ATOM 182 C GLU A 11 4.568 -1.604 6.389 1.00 0.00 C ATOM 183 O GLU A 11 4.317 -0.479 6.810 1.00 0.00 O ATOM 184 CB GLU A 11 5.527 -3.108 8.133 1.00 0.00 C ATOM 185 CG GLU A 11 5.183 -3.747 9.468 1.00 0.00 C ATOM 186 CD GLU A 11 6.415 -4.101 10.278 1.00 0.00 C ATOM 187 OE1 GLU A 11 7.475 -3.481 10.050 1.00 0.00 O ATOM 188 OE2 GLU A 11 6.320 -5.000 11.141 1.00 0.00 O ATOM 0 H GLU A 11 4.682 -4.751 6.491 1.00 0.00 H new ATOM 0 HA GLU A 11 3.449 -2.645 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.214 -3.761 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.053 -2.171 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.558 -3.064 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.595 -4.648 9.295 1.00 0.00 H new ATOM 195 N SER A 12 5.061 -1.832 5.174 1.00 0.00 N ATOM 196 CA SER A 12 5.336 -0.739 4.252 1.00 0.00 C ATOM 197 C SER A 12 4.028 -0.167 3.726 1.00 0.00 C ATOM 198 O SER A 12 3.828 1.046 3.709 1.00 0.00 O ATOM 199 CB SER A 12 6.206 -1.223 3.090 1.00 0.00 C ATOM 200 OG SER A 12 7.103 -0.210 2.666 1.00 0.00 O ATOM 0 H SER A 12 5.277 -2.760 4.809 1.00 0.00 H new ATOM 0 HA SER A 12 5.878 0.042 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.768 -2.106 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.571 -1.522 2.256 1.00 0.00 H new ATOM 0 HG SER A 12 7.103 -0.162 1.687 1.00 0.00 H new ATOM 206 N TYR A 13 3.129 -1.058 3.318 1.00 0.00 N ATOM 207 CA TYR A 13 1.826 -0.648 2.815 1.00 0.00 C ATOM 208 C TYR A 13 1.047 0.054 3.917 1.00 0.00 C ATOM 209 O TYR A 13 0.349 1.039 3.676 1.00 0.00 O ATOM 210 CB TYR A 13 1.039 -1.862 2.322 1.00 0.00 C ATOM 211 CG TYR A 13 -0.279 -1.508 1.673 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.321 -0.956 0.399 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.481 -1.725 2.335 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.526 -0.630 -0.197 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.688 -1.402 1.745 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.706 -0.855 0.480 1.00 0.00 C ATOM 217 OH TYR A 13 -3.906 -0.533 -0.110 1.00 0.00 O ATOM 0 H TYR A 13 3.280 -2.067 3.327 1.00 0.00 H new ATOM 0 HA TYR A 13 1.973 0.038 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.649 -2.414 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.852 -2.529 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.601 -0.779 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.472 -2.153 3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.543 -0.201 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.614 -1.577 2.273 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.640 -0.755 0.500 1.00 0.00 H new ATOM 227 N PHE A 14 1.183 -0.464 5.132 1.00 0.00 N ATOM 228 CA PHE A 14 0.506 0.100 6.289 1.00 0.00 C ATOM 229 C PHE A 14 1.145 1.426 6.686 1.00 0.00 C ATOM 230 O PHE A 14 0.455 2.425 6.898 1.00 0.00 O ATOM 231 CB PHE A 14 0.557 -0.896 7.454 1.00 0.00 C ATOM 232 CG PHE A 14 -0.302 -2.134 7.278 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.882 -2.455 6.054 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.517 -2.988 8.351 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.655 -3.592 5.909 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.288 -4.128 8.209 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.858 -4.430 6.988 1.00 0.00 C ATOM 0 H PHE A 14 1.760 -1.279 5.340 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.537 0.290 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.591 -1.208 7.601 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.246 -0.383 8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.726 -1.806 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.076 -2.759 9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.100 -3.825 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.444 -4.782 9.054 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.461 -5.319 6.877 1.00 0.00 H new ATOM 247 N LYS A 15 2.470 1.431 6.768 1.00 0.00 N ATOM 248 CA LYS A 15 3.211 2.634 7.122 1.00 0.00 C ATOM 249 C LYS A 15 3.024 3.705 6.057 1.00 0.00 C ATOM 250 O LYS A 15 2.827 4.879 6.369 1.00 0.00 O ATOM 251 CB LYS A 15 4.699 2.315 7.282 1.00 0.00 C ATOM 252 CG LYS A 15 5.050 1.715 8.635 1.00 0.00 C ATOM 253 CD LYS A 15 6.555 1.675 8.853 1.00 0.00 C ATOM 254 CE LYS A 15 7.160 0.386 8.322 1.00 0.00 C ATOM 255 NZ LYS A 15 8.620 0.522 8.065 1.00 0.00 N ATOM 0 H LYS A 15 3.054 0.613 6.594 1.00 0.00 H new ATOM 0 HA LYS A 15 2.825 3.008 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.000 1.621 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.276 3.229 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.582 2.301 9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.644 0.706 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.019 2.527 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.772 1.769 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.991 -0.417 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.654 0.101 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.994 -0.379 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.780 1.271 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.107 0.769 8.950 1.00 0.00 H new ATOM 269 N ALA A 16 3.089 3.288 4.797 1.00 0.00 N ATOM 270 CA ALA A 16 2.933 4.207 3.677 1.00 0.00 C ATOM 271 C ALA A 16 1.572 4.888 3.696 1.00 0.00 C ATOM 272 O ALA A 16 1.458 6.064 3.360 1.00 0.00 O ATOM 273 CB ALA A 16 3.146 3.477 2.359 1.00 0.00 C ATOM 0 H ALA A 16 3.249 2.318 4.526 1.00 0.00 H new ATOM 0 HA ALA A 16 3.691 4.984 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.026 4.177 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.151 3.055 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.414 2.675 2.265 1.00 0.00 H new ATOM 279 N THR A 17 0.541 4.153 4.094 1.00 0.00 N ATOM 280 CA THR A 17 -0.800 4.720 4.156 1.00 0.00 C ATOM 281 C THR A 17 -0.888 5.745 5.279 1.00 0.00 C ATOM 282 O THR A 17 -1.625 6.727 5.184 1.00 0.00 O ATOM 283 CB THR A 17 -1.844 3.621 4.362 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.616 2.932 5.578 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.863 2.597 3.248 1.00 0.00 C ATOM 0 H THR A 17 0.606 3.175 4.376 1.00 0.00 H new ATOM 0 HA THR A 17 -1.006 5.217 3.208 1.00 0.00 H new ATOM 0 HB THR A 17 -2.805 4.135 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.685 3.058 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.625 1.847 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.089 3.091 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.888 2.115 3.181 1.00 0.00 H new ATOM 293 N GLU A 18 -0.131 5.508 6.347 1.00 0.00 N ATOM 294 CA GLU A 18 -0.119 6.407 7.495 1.00 0.00 C ATOM 295 C GLU A 18 0.694 7.668 7.210 1.00 0.00 C ATOM 296 O GLU A 18 0.261 8.779 7.513 1.00 0.00 O ATOM 297 CB GLU A 18 0.439 5.682 8.725 1.00 0.00 C ATOM 298 CG GLU A 18 -0.631 5.252 9.713 1.00 0.00 C ATOM 299 CD GLU A 18 -0.281 3.960 10.426 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.540 4.005 11.365 1.00 0.00 O ATOM 301 OE2 GLU A 18 -0.827 2.905 10.043 1.00 0.00 O ATOM 0 H GLU A 18 0.483 4.699 6.440 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.146 6.712 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.994 4.803 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.148 6.336 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.778 6.041 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.577 5.127 9.187 1.00 0.00 H new ATOM 308 N MET A 19 1.876 7.485 6.638 1.00 0.00 N ATOM 309 CA MET A 19 2.757 8.603 6.324 1.00 0.00 C ATOM 310 C MET A 19 2.403 9.261 4.989 1.00 0.00 C ATOM 311 O MET A 19 2.885 10.352 4.682 1.00 0.00 O ATOM 312 CB MET A 19 4.208 8.122 6.302 1.00 0.00 C ATOM 313 CG MET A 19 4.563 7.252 5.104 1.00 0.00 C ATOM 314 SD MET A 19 6.322 6.869 5.023 1.00 0.00 S ATOM 315 CE MET A 19 6.274 5.078 5.042 1.00 0.00 C ATOM 0 H MET A 19 2.248 6.571 6.381 1.00 0.00 H new ATOM 0 HA MET A 19 2.626 9.356 7.101 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.866 8.991 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.406 7.561 7.215 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.995 6.323 5.153 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.263 7.761 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.289 4.688 5.122 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.686 4.739 5.895 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.818 4.716 4.120 1.00 0.00 H new ATOM 325 N ASN A 20 1.580 8.587 4.187 1.00 0.00 N ATOM 326 CA ASN A 20 1.182 9.095 2.875 1.00 0.00 C ATOM 327 C ASN A 20 2.348 8.996 1.898 1.00 0.00 C ATOM 328 O ASN A 20 2.569 9.887 1.079 1.00 0.00 O ATOM 329 CB ASN A 20 0.683 10.542 2.960 1.00 0.00 C ATOM 330 CG ASN A 20 -0.312 10.749 4.086 1.00 0.00 C ATOM 331 OD1 ASN A 20 0.016 10.578 5.261 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.536 11.120 3.733 1.00 0.00 N ATOM 0 H ASN A 20 1.174 7.682 4.425 1.00 0.00 H new ATOM 0 HA ASN A 20 0.358 8.480 2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.534 11.208 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.218 10.819 2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.248 11.275 4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.765 11.250 2.748 1.00 0.00 H new ATOM 339 N LEU A 21 3.092 7.897 2.001 1.00 0.00 N ATOM 340 CA LEU A 21 4.245 7.653 1.140 1.00 0.00 C ATOM 341 C LEU A 21 3.828 7.672 -0.331 1.00 0.00 C ATOM 342 O LEU A 21 2.657 7.473 -0.651 1.00 0.00 O ATOM 343 CB LEU A 21 4.876 6.301 1.495 1.00 0.00 C ATOM 344 CG LEU A 21 6.368 6.160 1.182 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.994 5.083 2.059 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.589 5.850 -0.296 1.00 0.00 C ATOM 0 H LEU A 21 2.914 7.156 2.679 1.00 0.00 H new ATOM 0 HA LEU A 21 4.978 8.444 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.729 6.121 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.337 5.518 0.962 1.00 0.00 H new ATOM 0 HG LEU A 21 6.855 7.110 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.055 4.994 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.875 5.354 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.500 4.129 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.657 5.755 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.089 4.916 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.179 6.658 -0.902 1.00 0.00 H new ATOM 358 N ASN A 22 4.794 7.918 -1.221 1.00 0.00 N ATOM 359 CA ASN A 22 4.538 7.971 -2.668 1.00 0.00 C ATOM 360 C ASN A 22 3.603 6.849 -3.132 1.00 0.00 C ATOM 361 O ASN A 22 3.730 5.703 -2.702 1.00 0.00 O ATOM 362 CB ASN A 22 5.858 7.892 -3.437 1.00 0.00 C ATOM 363 CG ASN A 22 5.729 8.393 -4.862 1.00 0.00 C ATOM 364 OD1 ASN A 22 5.155 7.721 -5.718 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.265 9.580 -5.122 1.00 0.00 N ATOM 0 H ASN A 22 5.767 8.085 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 22 4.044 8.920 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.614 8.479 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.207 6.860 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.210 9.969 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.732 10.102 -4.381 1.00 0.00 H new ATOM 372 N ARG A 23 2.660 7.198 -4.002 1.00 0.00 N ATOM 373 CA ARG A 23 1.693 6.235 -4.519 1.00 0.00 C ATOM 374 C ARG A 23 2.381 5.054 -5.192 1.00 0.00 C ATOM 375 O ARG A 23 1.852 3.943 -5.201 1.00 0.00 O ATOM 376 CB ARG A 23 0.744 6.916 -5.508 1.00 0.00 C ATOM 377 CG ARG A 23 -0.606 6.222 -5.630 1.00 0.00 C ATOM 378 CD ARG A 23 -1.756 7.148 -5.261 1.00 0.00 C ATOM 379 NE ARG A 23 -1.898 7.297 -3.813 1.00 0.00 N ATOM 380 CZ ARG A 23 -2.608 8.262 -3.226 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.245 9.171 -3.956 1.00 0.00 N ATOM 382 NH2 ARG A 23 -2.679 8.316 -1.903 1.00 0.00 N ATOM 0 H ARG A 23 2.545 8.144 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 23 1.122 5.854 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.586 7.948 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.217 6.949 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.740 5.866 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.623 5.346 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.592 8.127 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.684 6.757 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.424 6.621 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.194 9.135 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.785 9.905 -3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.192 7.621 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.221 9.052 -1.451 1.00 0.00 H new ATOM 396 N ASP A 24 3.556 5.293 -5.757 1.00 0.00 N ATOM 397 CA ASP A 24 4.295 4.235 -6.431 1.00 0.00 C ATOM 398 C ASP A 24 4.723 3.157 -5.442 1.00 0.00 C ATOM 399 O ASP A 24 4.736 1.971 -5.769 1.00 0.00 O ATOM 400 CB ASP A 24 5.517 4.807 -7.153 1.00 0.00 C ATOM 401 CG ASP A 24 5.771 4.127 -8.485 1.00 0.00 C ATOM 402 OD1 ASP A 24 5.027 4.408 -9.447 1.00 0.00 O ATOM 403 OD2 ASP A 24 6.716 3.314 -8.566 1.00 0.00 O ATOM 0 H ASP A 24 4.016 6.204 -5.762 1.00 0.00 H new ATOM 0 HA ASP A 24 3.635 3.781 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.373 5.875 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.396 4.696 -6.518 1.00 0.00 H new ATOM 408 N PHE A 25 5.058 3.575 -4.227 1.00 0.00 N ATOM 409 CA PHE A 25 5.466 2.643 -3.188 1.00 0.00 C ATOM 410 C PHE A 25 4.241 1.918 -2.654 1.00 0.00 C ATOM 411 O PHE A 25 4.249 0.702 -2.476 1.00 0.00 O ATOM 412 CB PHE A 25 6.180 3.384 -2.056 1.00 0.00 C ATOM 413 CG PHE A 25 7.134 2.520 -1.281 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.056 1.722 -1.939 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.110 2.507 0.104 1.00 0.00 C ATOM 416 CE1 PHE A 25 8.937 0.927 -1.229 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.988 1.716 0.819 1.00 0.00 C ATOM 418 CZ PHE A 25 8.903 0.924 0.152 1.00 0.00 C ATOM 0 H PHE A 25 5.054 4.554 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 25 6.160 1.916 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.726 4.230 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.435 3.792 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.087 1.721 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.396 3.123 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.651 0.309 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.959 1.717 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.590 0.304 0.709 1.00 0.00 H new ATOM 428 N ILE A 26 3.178 2.681 -2.426 1.00 0.00 N ATOM 429 CA ILE A 26 1.926 2.127 -1.938 1.00 0.00 C ATOM 430 C ILE A 26 1.376 1.114 -2.938 1.00 0.00 C ATOM 431 O ILE A 26 0.918 0.036 -2.560 1.00 0.00 O ATOM 432 CB ILE A 26 0.889 3.251 -1.689 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.384 4.180 -0.576 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.482 2.678 -1.333 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.423 5.304 -0.246 1.00 0.00 C ATOM 0 H ILE A 26 3.161 3.690 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 26 2.118 1.622 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 26 0.779 3.821 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.562 3.591 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.342 4.608 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.185 3.494 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.839 2.054 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.401 2.077 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.842 5.919 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.263 5.918 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.528 4.885 0.082 1.00 0.00 H new ATOM 447 N GLU A 27 1.437 1.465 -4.219 1.00 0.00 N ATOM 448 CA GLU A 27 0.956 0.581 -5.269 1.00 0.00 C ATOM 449 C GLU A 27 1.932 -0.571 -5.475 1.00 0.00 C ATOM 450 O GLU A 27 1.532 -1.693 -5.786 1.00 0.00 O ATOM 451 CB GLU A 27 0.769 1.357 -6.574 1.00 0.00 C ATOM 452 CG GLU A 27 -0.464 0.939 -7.360 1.00 0.00 C ATOM 453 CD GLU A 27 -0.282 1.095 -8.856 1.00 0.00 C ATOM 454 OE1 GLU A 27 0.872 1.024 -9.325 1.00 0.00 O ATOM 455 OE2 GLU A 27 -1.297 1.288 -9.561 1.00 0.00 O ATOM 0 H GLU A 27 1.814 2.353 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.008 0.173 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.702 2.421 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.652 1.219 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.700 -0.101 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.316 1.537 -7.037 1.00 0.00 H new ATOM 462 N LEU A 28 3.215 -0.283 -5.285 1.00 0.00 N ATOM 463 CA LEU A 28 4.258 -1.286 -5.435 1.00 0.00 C ATOM 464 C LEU A 28 4.124 -2.346 -4.345 1.00 0.00 C ATOM 465 O LEU A 28 4.175 -3.545 -4.620 1.00 0.00 O ATOM 466 CB LEU A 28 5.639 -0.604 -5.391 1.00 0.00 C ATOM 467 CG LEU A 28 6.835 -1.502 -5.053 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.111 -0.939 -5.661 1.00 0.00 C ATOM 469 CD2 LEU A 28 6.982 -1.640 -3.545 1.00 0.00 C ATOM 0 H LEU A 28 3.557 0.642 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 28 4.154 -1.785 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.823 -0.142 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.599 0.201 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 28 6.658 -2.490 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.950 -1.588 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.004 -0.884 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.294 0.059 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.835 -2.280 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.140 -0.656 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.076 -2.083 -3.130 1.00 0.00 H new ATOM 481 N ILE A 29 3.938 -1.896 -3.110 1.00 0.00 N ATOM 482 CA ILE A 29 3.779 -2.808 -1.989 1.00 0.00 C ATOM 483 C ILE A 29 2.446 -3.541 -2.097 1.00 0.00 C ATOM 484 O ILE A 29 2.327 -4.700 -1.696 1.00 0.00 O ATOM 485 CB ILE A 29 3.855 -2.064 -0.639 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.148 -1.252 -0.553 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.772 -3.048 0.516 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.030 -0.018 0.315 1.00 0.00 C ATOM 0 H ILE A 29 3.894 -0.908 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 29 4.597 -3.527 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 29 3.008 -1.381 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.941 -1.888 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.447 -0.953 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.827 -2.506 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.829 -3.591 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.601 -3.753 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.984 0.509 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.259 0.639 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.761 -0.311 1.330 1.00 0.00 H new ATOM 500 N GLU A 30 1.450 -2.861 -2.656 1.00 0.00 N ATOM 501 CA GLU A 30 0.131 -3.451 -2.835 1.00 0.00 C ATOM 502 C GLU A 30 0.141 -4.418 -4.012 1.00 0.00 C ATOM 503 O GLU A 30 -0.568 -5.424 -4.011 1.00 0.00 O ATOM 504 CB GLU A 30 -0.917 -2.359 -3.064 1.00 0.00 C ATOM 505 CG GLU A 30 -2.339 -2.810 -2.774 1.00 0.00 C ATOM 506 CD GLU A 30 -3.336 -2.283 -3.788 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.027 -2.316 -4.997 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.425 -1.836 -3.372 1.00 0.00 O ATOM 0 H GLU A 30 1.533 -1.902 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.127 -3.999 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.681 -1.502 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.856 -2.020 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.376 -3.899 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.627 -2.474 -1.778 1.00 0.00 H new ATOM 515 N ASN A 31 0.958 -4.104 -5.015 1.00 0.00 N ATOM 516 CA ASN A 31 1.072 -4.942 -6.201 1.00 0.00 C ATOM 517 C ASN A 31 1.765 -6.259 -5.872 1.00 0.00 C ATOM 518 O ASN A 31 1.494 -7.286 -6.496 1.00 0.00 O ATOM 519 CB ASN A 31 1.841 -4.200 -7.296 1.00 0.00 C ATOM 520 CG ASN A 31 0.943 -3.304 -8.128 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.256 -3.551 -8.250 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.523 -2.257 -8.704 1.00 0.00 N ATOM 0 H ASN A 31 1.550 -3.274 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 31 0.068 -5.166 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.628 -3.599 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.330 -4.924 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.970 -1.618 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.521 -2.092 -8.575 1.00 0.00 H new ATOM 529 N GLU A 32 2.648 -6.229 -4.880 1.00 0.00 N ATOM 530 CA GLU A 32 3.363 -7.427 -4.461 1.00 0.00 C ATOM 531 C GLU A 32 2.466 -8.261 -3.563 1.00 0.00 C ATOM 532 O GLU A 32 2.336 -9.473 -3.739 1.00 0.00 O ATOM 533 CB GLU A 32 4.652 -7.059 -3.727 1.00 0.00 C ATOM 534 CG GLU A 32 5.558 -8.249 -3.452 1.00 0.00 C ATOM 535 CD GLU A 32 6.141 -8.843 -4.719 1.00 0.00 C ATOM 536 OE1 GLU A 32 6.838 -8.109 -5.452 1.00 0.00 O ATOM 537 OE2 GLU A 32 5.901 -10.040 -4.980 1.00 0.00 O ATOM 0 H GLU A 32 2.885 -5.389 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 32 3.631 -8.006 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.200 -6.325 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.398 -6.581 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.370 -7.939 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.993 -9.016 -2.922 1.00 0.00 H new ATOM 544 N ILE A 33 1.826 -7.589 -2.615 1.00 0.00 N ATOM 545 CA ILE A 33 0.910 -8.244 -1.699 1.00 0.00 C ATOM 546 C ILE A 33 -0.277 -8.804 -2.477 1.00 0.00 C ATOM 547 O ILE A 33 -0.824 -9.851 -2.131 1.00 0.00 O ATOM 548 CB ILE A 33 0.417 -7.253 -0.615 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.602 -6.752 0.215 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.639 -7.888 0.289 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.306 -5.489 0.991 1.00 0.00 C ATOM 0 H ILE A 33 1.927 -6.586 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 33 1.434 -9.060 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.049 -6.407 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.904 -7.534 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.449 -6.572 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.961 -7.163 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.495 -8.195 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.215 -8.760 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.190 -5.193 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.034 -4.692 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.480 -5.670 1.679 1.00 0.00 H new ATOM 563 N LYS A 34 -0.663 -8.100 -3.540 1.00 0.00 N ATOM 564 CA LYS A 34 -1.773 -8.532 -4.374 1.00 0.00 C ATOM 565 C LYS A 34 -1.395 -9.792 -5.142 1.00 0.00 C ATOM 566 O LYS A 34 -2.143 -10.770 -5.160 1.00 0.00 O ATOM 567 CB LYS A 34 -2.167 -7.420 -5.346 1.00 0.00 C ATOM 568 CG LYS A 34 -3.221 -6.474 -4.789 1.00 0.00 C ATOM 569 CD LYS A 34 -4.468 -6.437 -5.660 1.00 0.00 C ATOM 570 CE LYS A 34 -5.636 -5.800 -4.926 1.00 0.00 C ATOM 571 NZ LYS A 34 -6.728 -5.402 -5.856 1.00 0.00 N ATOM 0 H LYS A 34 -0.222 -7.231 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.626 -8.755 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.278 -6.847 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.542 -7.868 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.492 -6.786 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.803 -5.470 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.260 -5.878 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.734 -7.450 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.026 -6.501 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.287 -4.923 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.622 -5.327 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.501 -4.482 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.826 -6.118 -6.604 1.00 0.00 H new ATOM 585 N ARG A 35 -0.218 -9.766 -5.759 1.00 0.00 N ATOM 586 CA ARG A 35 0.274 -10.912 -6.513 1.00 0.00 C ATOM 587 C ARG A 35 0.662 -12.050 -5.568 1.00 0.00 C ATOM 588 O ARG A 35 0.666 -13.219 -5.956 1.00 0.00 O ATOM 589 CB ARG A 35 1.475 -10.507 -7.373 1.00 0.00 C ATOM 590 CG ARG A 35 1.434 -11.082 -8.780 1.00 0.00 C ATOM 591 CD ARG A 35 1.990 -12.496 -8.821 1.00 0.00 C ATOM 592 NE ARG A 35 3.415 -12.534 -8.499 1.00 0.00 N ATOM 593 CZ ARG A 35 4.230 -13.535 -8.830 1.00 0.00 C ATOM 594 NH1 ARG A 35 3.771 -14.592 -9.494 1.00 0.00 N ATOM 595 NH2 ARG A 35 5.512 -13.481 -8.496 1.00 0.00 N ATOM 0 H ARG A 35 0.412 -8.964 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.525 -11.262 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.518 -9.420 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.391 -10.835 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.406 -11.083 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.009 -10.444 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.442 -13.121 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.831 -12.919 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 35 3.811 -11.744 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.786 -14.642 -9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.404 -15.353 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.873 -12.674 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.137 -14.246 -8.748 1.00 0.00 H new ATOM 609 N ARG A 36 0.984 -11.699 -4.322 1.00 0.00 N ATOM 610 CA ARG A 36 1.369 -12.683 -3.318 1.00 0.00 C ATOM 611 C ARG A 36 0.147 -13.367 -2.691 1.00 0.00 C ATOM 612 O ARG A 36 0.293 -14.176 -1.775 1.00 0.00 O ATOM 613 CB ARG A 36 2.198 -12.006 -2.222 1.00 0.00 C ATOM 614 CG ARG A 36 3.662 -11.816 -2.596 1.00 0.00 C ATOM 615 CD ARG A 36 4.590 -12.579 -1.662 1.00 0.00 C ATOM 616 NE ARG A 36 4.649 -14.002 -1.992 1.00 0.00 N ATOM 617 CZ ARG A 36 5.396 -14.512 -2.972 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.151 -13.723 -3.729 1.00 0.00 N ATOM 619 NH2 ARG A 36 5.387 -15.819 -3.197 1.00 0.00 N ATOM 0 H ARG A 36 0.985 -10.736 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 36 1.963 -13.450 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.760 -11.034 -1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.138 -12.603 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.822 -12.152 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.909 -10.755 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.591 -12.152 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.249 -12.459 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 36 4.083 -14.645 -1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.163 -12.717 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.718 -14.124 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.810 -16.432 -2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.957 -16.212 -3.946 1.00 0.00 H new ATOM 633 N SER A 37 -1.057 -13.039 -3.170 1.00 0.00 N ATOM 634 CA SER A 37 -2.275 -13.630 -2.626 1.00 0.00 C ATOM 635 C SER A 37 -2.416 -13.282 -1.149 1.00 0.00 C ATOM 636 O SER A 37 -2.919 -14.075 -0.355 1.00 0.00 O ATOM 637 CB SER A 37 -2.259 -15.149 -2.808 1.00 0.00 C ATOM 638 OG SER A 37 -3.457 -15.733 -2.325 1.00 0.00 O ATOM 0 H SER A 37 -1.210 -12.373 -3.927 1.00 0.00 H new ATOM 0 HA SER A 37 -3.129 -13.222 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.133 -15.391 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.405 -15.573 -2.279 1.00 0.00 H new ATOM 0 HG SER A 37 -3.639 -15.405 -1.420 1.00 0.00 H new ATOM 644 N LEU A 38 -1.953 -12.088 -0.791 1.00 0.00 N ATOM 645 CA LEU A 38 -2.008 -11.625 0.588 1.00 0.00 C ATOM 646 C LEU A 38 -2.766 -10.298 0.702 1.00 0.00 C ATOM 647 O LEU A 38 -2.674 -9.615 1.720 1.00 0.00 O ATOM 648 CB LEU A 38 -0.587 -11.471 1.127 1.00 0.00 C ATOM 649 CG LEU A 38 -0.452 -11.620 2.637 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.708 -13.060 3.052 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.926 -11.173 3.088 1.00 0.00 C ATOM 0 H LEU A 38 -1.534 -11.423 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.547 -12.364 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.051 -12.212 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.209 -10.490 0.839 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.196 -10.986 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.608 -13.150 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.716 -13.350 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.016 -13.713 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.009 -11.285 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.685 -11.785 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.076 -10.127 2.819 1.00 0.00 H new ATOM 663 N GLY A 39 -3.522 -9.938 -0.339 1.00 0.00 N ATOM 664 CA GLY A 39 -4.282 -8.698 -0.308 1.00 0.00 C ATOM 665 C GLY A 39 -5.251 -8.652 0.857 1.00 0.00 C ATOM 666 O GLY A 39 -5.604 -7.577 1.341 1.00 0.00 O ATOM 0 H GLY A 39 -3.620 -10.481 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.595 -7.854 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.833 -8.588 -1.242 1.00 0.00 H new ATOM 670 N HIS A 40 -5.676 -9.824 1.323 1.00 0.00 N ATOM 671 CA HIS A 40 -6.596 -9.903 2.451 1.00 0.00 C ATOM 672 C HIS A 40 -5.963 -9.278 3.691 1.00 0.00 C ATOM 673 O HIS A 40 -6.656 -8.722 4.543 1.00 0.00 O ATOM 674 CB HIS A 40 -6.973 -11.358 2.732 1.00 0.00 C ATOM 675 CG HIS A 40 -5.795 -12.279 2.805 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.562 -13.279 1.884 1.00 0.00 N ATOM 677 CD2 HIS A 40 -4.778 -12.347 3.697 1.00 0.00 C ATOM 678 CE1 HIS A 40 -4.453 -13.922 2.207 1.00 0.00 C ATOM 679 NE2 HIS A 40 -3.960 -13.376 3.302 1.00 0.00 N ATOM 0 H HIS A 40 -5.399 -10.727 0.938 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.501 -9.351 2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.521 -11.407 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.649 -11.707 1.951 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -6.153 -13.489 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.637 -11.711 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.024 -14.753 1.667 1.00 0.00 H new ATOM 688 N ILE A 41 -4.637 -9.366 3.777 1.00 0.00 N ATOM 689 CA ILE A 41 -3.902 -8.805 4.899 1.00 0.00 C ATOM 690 C ILE A 41 -4.015 -7.276 4.895 1.00 0.00 C ATOM 691 O ILE A 41 -4.022 -6.635 5.946 1.00 0.00 O ATOM 692 CB ILE A 41 -2.412 -9.262 4.866 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.808 -9.252 6.269 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.565 -8.421 3.910 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.556 -10.134 7.243 1.00 0.00 C ATOM 0 H ILE A 41 -4.052 -9.823 3.078 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.341 -9.176 5.825 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.404 -10.284 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.770 -9.581 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.799 -8.230 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.536 -8.780 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.965 -8.505 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.590 -7.378 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.078 -10.083 8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.588 -9.792 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.543 -11.164 6.886 1.00 0.00 H new ATOM 707 N ILE A 42 -4.112 -6.709 3.692 1.00 0.00 N ATOM 708 CA ILE A 42 -4.236 -5.266 3.523 1.00 0.00 C ATOM 709 C ILE A 42 -5.698 -4.836 3.528 1.00 0.00 C ATOM 710 O ILE A 42 -6.028 -3.706 3.885 1.00 0.00 O ATOM 711 CB ILE A 42 -3.557 -4.788 2.206 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.346 -5.173 0.947 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.170 -5.369 2.102 1.00 0.00 C ATOM 714 CD1 ILE A 42 -4.111 -4.235 -0.217 1.00 0.00 C ATOM 0 H ILE A 42 -4.107 -7.233 2.817 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.727 -4.801 4.367 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.522 -3.700 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.072 -6.185 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.410 -5.188 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.702 -5.030 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.573 -5.041 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.231 -6.457 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.698 -4.564 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.412 -3.225 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.053 -4.239 -0.479 1.00 0.00 H new ATOM 726 N SER A 43 -6.564 -5.744 3.087 1.00 0.00 N ATOM 727 CA SER A 43 -7.987 -5.471 2.989 1.00 0.00 C ATOM 728 C SER A 43 -8.229 -4.462 1.877 1.00 0.00 C ATOM 729 O SER A 43 -8.503 -3.289 2.132 1.00 0.00 O ATOM 730 CB SER A 43 -8.551 -4.955 4.318 1.00 0.00 C ATOM 731 OG SER A 43 -9.943 -5.204 4.412 1.00 0.00 O ATOM 0 H SER A 43 -6.297 -6.683 2.790 1.00 0.00 H new ATOM 0 HA SER A 43 -8.506 -6.401 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.035 -5.438 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.363 -3.885 4.406 1.00 0.00 H new ATOM 0 HG SER A 43 -10.278 -4.867 5.269 1.00 0.00 H new ATOM 737 N VAL A 44 -8.096 -4.926 0.638 1.00 0.00 N ATOM 738 CA VAL A 44 -8.269 -4.062 -0.526 1.00 0.00 C ATOM 739 C VAL A 44 -9.740 -3.716 -0.726 1.00 0.00 C ATOM 740 O VAL A 44 -10.625 -4.468 -0.315 1.00 0.00 O ATOM 741 CB VAL A 44 -7.731 -4.695 -1.838 1.00 0.00 C ATOM 742 CG1 VAL A 44 -7.307 -3.603 -2.803 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.577 -5.666 -1.592 1.00 0.00 C ATOM 0 H VAL A 44 -7.869 -5.895 0.414 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.688 -3.164 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.543 -5.276 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.931 -4.055 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.163 -2.970 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.522 -2.999 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.240 -6.079 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.753 -5.138 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.914 -6.475 -0.944 1.00 0.00 H new ATOM 753 N SER A 45 -9.997 -2.577 -1.360 1.00 0.00 N ATOM 754 CA SER A 45 -11.364 -2.137 -1.614 1.00 0.00 C ATOM 755 C SER A 45 -11.898 -2.744 -2.907 1.00 0.00 C ATOM 756 O SER A 45 -11.736 -2.172 -3.986 1.00 0.00 O ATOM 757 CB SER A 45 -11.425 -0.610 -1.689 1.00 0.00 C ATOM 758 OG SER A 45 -12.699 -0.172 -2.131 1.00 0.00 O ATOM 0 H SER A 45 -9.278 -1.942 -1.707 1.00 0.00 H new ATOM 0 HA SER A 45 -11.989 -2.478 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.211 -0.186 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.655 -0.245 -2.369 1.00 0.00 H new ATOM 0 HG SER A 45 -12.713 0.807 -2.169 1.00 0.00 H new ATOM 764 N SER A 46 -12.534 -3.905 -2.791 1.00 0.00 N ATOM 765 CA SER A 46 -13.093 -4.590 -3.952 1.00 0.00 C ATOM 766 C SER A 46 -14.222 -5.529 -3.540 1.00 0.00 C ATOM 767 O SER A 46 -14.660 -5.449 -2.372 1.00 0.00 O ATOM 768 CB SER A 46 -12.001 -5.375 -4.681 1.00 0.00 C ATOM 769 OG SER A 46 -11.022 -5.852 -3.774 1.00 0.00 O ATOM 770 OXT SER A 46 -14.659 -6.334 -4.388 1.00 0.00 O ATOM 0 H SER A 46 -12.675 -4.391 -1.906 1.00 0.00 H new ATOM 0 HA SER A 46 -13.501 -3.836 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.447 -6.215 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.529 -4.738 -5.429 1.00 0.00 H new ATOM 0 HG SER A 46 -10.337 -6.352 -4.265 1.00 0.00 H new TER 776 SER A 46