USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 N :NH3+ 177:sc= 0.183 (180deg=-0.282) USER MOD Set 1.2: A 5 THR OG1 : rot -120:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 6 SER OG : rot 122:sc= 0.902 USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.658 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.952 (180deg=0.923) USER MOD Single : A 12 GLN : amide:sc= -0.498 K(o=-0.5,f=-3.2!) USER MOD Single : A 15 TYR OH : rot 123:sc= 0.944 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -26:sc= 0.153 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.3 X(o=0.3,f=-0.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0.924 (180deg=0.922) USER MOD Single : A 35 ASN : amide:sc= 0.0855 X(o=0.086,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0817 K(o=-0.082,f=-2.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -39:sc= 0.221 USER MOD Single : A 49 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.1!) USER MOD Single : A 51 MET CE :methyl -143:sc= -1.68 (180deg=-5!) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= -0.0107 (180deg=-0.113) USER MOD Single : A 53 THR OG1 : rot 21:sc= 0.838 USER MOD Single : A 55 SER OG : rot -109:sc= 0.884 USER MOD Single : A 56 THR OG1 : rot 21:sc= 0.4 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.761 USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.583) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 0.469 (180deg=-0.984) USER MOD Single : A 68 SER OG : rot 95:sc= 0.0281 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.491 (180deg=0.491) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.210 -16.636 -0.625 1.00 5.20 N ATOM 2 CA MET A 1 -0.759 -17.946 -1.114 1.00 4.48 C ATOM 3 C MET A 1 -1.383 -18.324 -2.462 1.00 3.15 C ATOM 4 O MET A 1 -0.903 -19.261 -3.088 1.00 4.00 O ATOM 5 CB MET A 1 -1.007 -19.028 -0.057 1.00 5.02 C ATOM 6 CG MET A 1 0.165 -20.007 -0.047 1.00 6.21 C ATOM 7 SD MET A 1 -0.018 -21.348 1.152 1.00 7.28 S ATOM 8 CE MET A 1 1.557 -22.195 0.866 1.00 8.65 C ATOM 0 H1 MET A 1 -0.797 -16.454 0.312 1.00 5.20 H new ATOM 0 H2 MET A 1 -0.905 -15.894 -1.288 1.00 5.20 H new ATOM 0 H3 MET A 1 -2.247 -16.631 -0.553 1.00 5.20 H new ATOM 0 HA MET A 1 0.314 -17.871 -1.289 1.00 4.48 H new ATOM 0 HB2 MET A 1 -1.122 -18.572 0.926 1.00 5.02 H new ATOM 0 HB3 MET A 1 -1.935 -19.557 -0.273 1.00 5.02 H new ATOM 0 HG2 MET A 1 0.278 -20.435 -1.043 1.00 6.21 H new ATOM 0 HG3 MET A 1 1.082 -19.460 0.171 1.00 6.21 H new ATOM 0 HE1 MET A 1 1.629 -23.061 1.523 1.00 8.65 H new ATOM 0 HE2 MET A 1 1.611 -22.522 -0.172 1.00 8.65 H new ATOM 0 HE3 MET A 1 2.381 -21.512 1.075 1.00 8.65 H new ATOM 20 N SER A 2 -2.416 -17.620 -2.939 1.00 2.17 N ATOM 21 CA SER A 2 -2.954 -17.807 -4.280 1.00 1.35 C ATOM 22 C SER A 2 -3.461 -16.453 -4.774 1.00 1.14 C ATOM 23 O SER A 2 -3.383 -15.479 -4.025 1.00 1.03 O ATOM 24 CB SER A 2 -4.076 -18.848 -4.230 1.00 2.29 C ATOM 25 OG SER A 2 -4.476 -19.196 -5.539 1.00 2.69 O ATOM 0 H SER A 2 -2.900 -16.903 -2.399 1.00 2.17 H new ATOM 0 HA SER A 2 -2.193 -18.173 -4.969 1.00 1.35 H new ATOM 0 HB2 SER A 2 -3.735 -19.736 -3.698 1.00 2.29 H new ATOM 0 HB3 SER A 2 -4.926 -18.451 -3.675 1.00 2.29 H new ATOM 0 HG SER A 2 -5.192 -19.863 -5.496 1.00 2.69 H new ATOM 31 N GLU A 3 -4.014 -16.385 -5.988 1.00 1.16 N ATOM 32 CA GLU A 3 -4.595 -15.163 -6.544 1.00 1.05 C ATOM 33 C GLU A 3 -5.706 -14.638 -5.649 1.00 0.96 C ATOM 34 O GLU A 3 -5.877 -13.430 -5.560 1.00 0.86 O ATOM 35 CB GLU A 3 -5.143 -15.403 -7.961 1.00 1.25 C ATOM 36 CG GLU A 3 -4.051 -15.420 -9.039 1.00 1.99 C ATOM 37 CD GLU A 3 -3.594 -14.013 -9.441 1.00 2.65 C ATOM 38 OE1 GLU A 3 -3.305 -13.186 -8.550 1.00 4.01 O ATOM 39 OE2 GLU A 3 -3.500 -13.736 -10.658 1.00 3.16 O ATOM 0 H GLU A 3 -4.071 -17.185 -6.618 1.00 1.16 H new ATOM 0 HA GLU A 3 -3.800 -14.419 -6.599 1.00 1.05 H new ATOM 0 HB2 GLU A 3 -5.678 -16.353 -7.980 1.00 1.25 H new ATOM 0 HB3 GLU A 3 -5.867 -14.624 -8.200 1.00 1.25 H new ATOM 0 HG2 GLU A 3 -3.194 -15.985 -8.673 1.00 1.99 H new ATOM 0 HG3 GLU A 3 -4.424 -15.942 -9.920 1.00 1.99 H new ATOM 46 N GLU A 4 -6.451 -15.500 -4.958 1.00 1.04 N ATOM 47 CA GLU A 4 -7.430 -15.028 -3.987 1.00 1.00 C ATOM 48 C GLU A 4 -6.744 -14.201 -2.905 1.00 0.87 C ATOM 49 O GLU A 4 -7.209 -13.117 -2.569 1.00 0.80 O ATOM 50 CB GLU A 4 -8.177 -16.206 -3.360 1.00 1.17 C ATOM 51 CG GLU A 4 -9.139 -16.838 -4.369 1.00 1.36 C ATOM 52 CD GLU A 4 -9.864 -18.021 -3.733 1.00 1.76 C ATOM 53 OE1 GLU A 4 -9.184 -19.052 -3.530 1.00 2.39 O ATOM 54 OE2 GLU A 4 -11.070 -17.869 -3.440 1.00 2.59 O ATOM 0 H GLU A 4 -6.395 -16.514 -5.052 1.00 1.04 H new ATOM 0 HA GLU A 4 -8.153 -14.398 -4.505 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.463 -16.953 -3.015 1.00 1.17 H new ATOM 0 HB3 GLU A 4 -8.732 -15.867 -2.485 1.00 1.17 H new ATOM 0 HG2 GLU A 4 -9.863 -16.096 -4.706 1.00 1.36 H new ATOM 0 HG3 GLU A 4 -8.589 -17.170 -5.249 1.00 1.36 H new ATOM 61 N THR A 5 -5.636 -14.690 -2.347 1.00 0.90 N ATOM 62 CA THR A 5 -4.938 -13.961 -1.301 1.00 0.89 C ATOM 63 C THR A 5 -4.372 -12.665 -1.863 1.00 0.68 C ATOM 64 O THR A 5 -4.585 -11.601 -1.295 1.00 0.63 O ATOM 65 CB THR A 5 -3.805 -14.802 -0.707 1.00 1.08 C ATOM 66 OG1 THR A 5 -4.063 -16.189 -0.825 1.00 1.36 O ATOM 67 CG2 THR A 5 -3.592 -14.456 0.768 1.00 1.11 C ATOM 0 H THR A 5 -5.210 -15.581 -2.603 1.00 0.90 H new ATOM 0 HA THR A 5 -5.652 -13.736 -0.509 1.00 0.89 H new ATOM 0 HB THR A 5 -2.904 -14.567 -1.274 1.00 1.08 H new ATOM 0 HG1 THR A 5 -4.086 -16.594 0.067 1.00 1.36 H new ATOM 0 HG21 THR A 5 -2.783 -15.065 1.171 1.00 1.11 H new ATOM 0 HG22 THR A 5 -3.334 -13.401 0.861 1.00 1.11 H new ATOM 0 HG23 THR A 5 -4.508 -14.655 1.324 1.00 1.11 H new ATOM 75 N SER A 6 -3.649 -12.751 -2.980 1.00 0.62 N ATOM 76 CA SER A 6 -3.001 -11.602 -3.581 1.00 0.51 C ATOM 77 C SER A 6 -4.049 -10.526 -3.808 1.00 0.44 C ATOM 78 O SER A 6 -3.866 -9.397 -3.379 1.00 0.44 O ATOM 79 CB SER A 6 -2.267 -12.021 -4.861 1.00 0.58 C ATOM 80 OG SER A 6 -1.268 -11.079 -5.185 1.00 0.79 O ATOM 0 H SER A 6 -3.501 -13.623 -3.488 1.00 0.62 H new ATOM 0 HA SER A 6 -2.238 -11.188 -2.921 1.00 0.51 H new ATOM 0 HB2 SER A 6 -1.818 -13.005 -4.725 1.00 0.58 H new ATOM 0 HB3 SER A 6 -2.977 -12.106 -5.684 1.00 0.58 H new ATOM 0 HG SER A 6 -0.396 -11.526 -5.220 1.00 0.79 H new ATOM 86 N THR A 7 -5.190 -10.905 -4.383 1.00 0.51 N ATOM 87 CA THR A 7 -6.325 -10.040 -4.661 1.00 0.57 C ATOM 88 C THR A 7 -6.967 -9.464 -3.406 1.00 0.55 C ATOM 89 O THR A 7 -7.323 -8.288 -3.402 1.00 0.55 O ATOM 90 CB THR A 7 -7.332 -10.763 -5.564 1.00 0.83 C ATOM 91 OG1 THR A 7 -6.702 -11.048 -6.793 1.00 0.89 O ATOM 92 CG2 THR A 7 -8.561 -9.907 -5.877 1.00 1.03 C ATOM 0 H THR A 7 -5.351 -11.868 -4.679 1.00 0.51 H new ATOM 0 HA THR A 7 -5.949 -9.170 -5.200 1.00 0.57 H new ATOM 0 HB THR A 7 -7.657 -11.660 -5.037 1.00 0.83 H new ATOM 0 HG1 THR A 7 -6.249 -11.915 -6.735 1.00 0.89 H new ATOM 0 HG21 THR A 7 -9.241 -10.467 -6.519 1.00 1.03 H new ATOM 0 HG22 THR A 7 -9.070 -9.648 -4.949 1.00 1.03 H new ATOM 0 HG23 THR A 7 -8.249 -8.995 -6.386 1.00 1.03 H new ATOM 100 N GLN A 8 -7.092 -10.244 -2.334 1.00 0.63 N ATOM 101 CA GLN A 8 -7.605 -9.738 -1.068 1.00 0.73 C ATOM 102 C GLN A 8 -6.735 -8.577 -0.615 1.00 0.64 C ATOM 103 O GLN A 8 -7.230 -7.551 -0.158 1.00 0.71 O ATOM 104 CB GLN A 8 -7.585 -10.846 -0.009 1.00 0.92 C ATOM 105 CG GLN A 8 -8.714 -11.868 -0.191 1.00 1.10 C ATOM 106 CD GLN A 8 -9.945 -11.496 0.629 1.00 1.38 C ATOM 107 OE1 GLN A 8 -10.472 -10.399 0.511 1.00 1.60 O ATOM 108 NE2 GLN A 8 -10.421 -12.394 1.483 1.00 2.55 N ATOM 0 H GLN A 8 -6.843 -11.233 -2.320 1.00 0.63 H new ATOM 0 HA GLN A 8 -8.634 -9.402 -1.199 1.00 0.73 H new ATOM 0 HB2 GLN A 8 -6.626 -11.362 -0.048 1.00 0.92 H new ATOM 0 HB3 GLN A 8 -7.665 -10.397 0.981 1.00 0.92 H new ATOM 0 HG2 GLN A 8 -8.983 -11.930 -1.245 1.00 1.10 H new ATOM 0 HG3 GLN A 8 -8.363 -12.856 0.107 1.00 1.10 H new ATOM 0 HE21 GLN A 8 -9.970 -13.305 1.570 1.00 2.55 H new ATOM 0 HE22 GLN A 8 -11.238 -12.173 2.053 1.00 2.55 H new ATOM 117 N ILE A 9 -5.422 -8.739 -0.741 1.00 0.57 N ATOM 118 CA ILE A 9 -4.502 -7.746 -0.225 1.00 0.59 C ATOM 119 C ILE A 9 -4.425 -6.604 -1.229 1.00 0.50 C ATOM 120 O ILE A 9 -4.194 -5.468 -0.841 1.00 0.66 O ATOM 121 CB ILE A 9 -3.110 -8.342 0.019 1.00 0.68 C ATOM 122 CG1 ILE A 9 -3.119 -9.670 0.794 1.00 1.52 C ATOM 123 CG2 ILE A 9 -2.256 -7.359 0.828 1.00 1.50 C ATOM 124 CD1 ILE A 9 -1.968 -10.529 0.277 1.00 2.04 C ATOM 0 H ILE A 9 -4.980 -9.540 -1.191 1.00 0.57 H new ATOM 0 HA ILE A 9 -4.865 -7.382 0.736 1.00 0.59 H new ATOM 0 HB ILE A 9 -2.704 -8.531 -0.975 1.00 0.68 H new ATOM 0 HG12 ILE A 9 -3.007 -9.488 1.863 1.00 1.52 H new ATOM 0 HG13 ILE A 9 -4.070 -10.185 0.656 1.00 1.52 H new ATOM 0 HG21 ILE A 9 -1.269 -7.789 0.998 1.00 1.50 H new ATOM 0 HG22 ILE A 9 -2.155 -6.425 0.276 1.00 1.50 H new ATOM 0 HG23 ILE A 9 -2.736 -7.164 1.787 1.00 1.50 H new ATOM 0 HD11 ILE A 9 -1.953 -11.478 0.813 1.00 2.04 H new ATOM 0 HD12 ILE A 9 -2.103 -10.715 -0.788 1.00 2.04 H new ATOM 0 HD13 ILE A 9 -1.024 -10.008 0.437 1.00 2.04 H new ATOM 136 N LEU A 10 -4.627 -6.895 -2.515 1.00 0.35 N ATOM 137 CA LEU A 10 -4.563 -5.934 -3.601 1.00 0.42 C ATOM 138 C LEU A 10 -5.593 -4.859 -3.355 1.00 0.39 C ATOM 139 O LEU A 10 -5.297 -3.667 -3.303 1.00 0.44 O ATOM 140 CB LEU A 10 -4.836 -6.639 -4.937 1.00 0.58 C ATOM 141 CG LEU A 10 -3.907 -6.133 -6.033 1.00 0.78 C ATOM 142 CD1 LEU A 10 -2.625 -6.954 -5.957 1.00 1.72 C ATOM 143 CD2 LEU A 10 -4.574 -6.313 -7.398 1.00 2.55 C ATOM 0 H LEU A 10 -4.846 -7.839 -2.833 1.00 0.35 H new ATOM 0 HA LEU A 10 -3.571 -5.485 -3.646 1.00 0.42 H new ATOM 0 HB2 LEU A 10 -4.706 -7.714 -4.816 1.00 0.58 H new ATOM 0 HB3 LEU A 10 -5.872 -6.474 -5.232 1.00 0.58 H new ATOM 0 HG LEU A 10 -3.687 -5.073 -5.901 1.00 0.78 H new ATOM 0 HD11 LEU A 10 -1.932 -6.620 -6.729 1.00 1.72 H new ATOM 0 HD12 LEU A 10 -2.166 -6.823 -4.977 1.00 1.72 H new ATOM 0 HD13 LEU A 10 -2.858 -8.008 -6.110 1.00 1.72 H new ATOM 0 HD21 LEU A 10 -3.907 -5.950 -8.180 1.00 2.55 H new ATOM 0 HD22 LEU A 10 -4.786 -7.369 -7.563 1.00 2.55 H new ATOM 0 HD23 LEU A 10 -5.506 -5.748 -7.425 1.00 2.55 H new ATOM 155 N LYS A 11 -6.817 -5.328 -3.166 1.00 0.42 N ATOM 156 CA LYS A 11 -7.943 -4.478 -2.879 1.00 0.48 C ATOM 157 C LYS A 11 -7.776 -3.849 -1.520 1.00 0.52 C ATOM 158 O LYS A 11 -8.119 -2.692 -1.345 1.00 0.63 O ATOM 159 CB LYS A 11 -9.215 -5.302 -2.970 1.00 0.56 C ATOM 160 CG LYS A 11 -9.523 -5.484 -4.453 1.00 1.39 C ATOM 161 CD LYS A 11 -10.417 -6.697 -4.617 1.00 1.78 C ATOM 162 CE LYS A 11 -11.126 -6.587 -5.970 1.00 2.09 C ATOM 163 NZ LYS A 11 -12.534 -7.010 -5.880 1.00 2.83 N ATOM 0 H LYS A 11 -7.050 -6.320 -3.210 1.00 0.42 H new ATOM 0 HA LYS A 11 -8.005 -3.668 -3.606 1.00 0.48 H new ATOM 0 HB2 LYS A 11 -9.085 -6.268 -2.482 1.00 0.56 H new ATOM 0 HB3 LYS A 11 -10.038 -4.798 -2.464 1.00 0.56 H new ATOM 0 HG2 LYS A 11 -10.015 -4.595 -4.849 1.00 1.39 H new ATOM 0 HG3 LYS A 11 -8.600 -5.616 -5.018 1.00 1.39 H new ATOM 0 HD2 LYS A 11 -9.828 -7.613 -4.569 1.00 1.78 H new ATOM 0 HD3 LYS A 11 -11.146 -6.744 -3.808 1.00 1.78 H new ATOM 0 HE2 LYS A 11 -11.077 -5.557 -6.325 1.00 2.09 H new ATOM 0 HE3 LYS A 11 -10.607 -7.202 -6.705 1.00 2.09 H new ATOM 0 HZ1 LYS A 11 -12.960 -7.004 -6.829 1.00 2.83 H new ATOM 0 HZ2 LYS A 11 -12.583 -7.971 -5.485 1.00 2.83 H new ATOM 0 HZ3 LYS A 11 -13.055 -6.355 -5.263 1.00 2.83 H new ATOM 177 N GLN A 12 -7.200 -4.553 -0.547 1.00 0.51 N ATOM 178 CA GLN A 12 -6.998 -3.926 0.750 1.00 0.53 C ATOM 179 C GLN A 12 -6.013 -2.757 0.640 1.00 0.43 C ATOM 180 O GLN A 12 -6.158 -1.749 1.328 1.00 0.45 O ATOM 181 CB GLN A 12 -6.554 -4.938 1.813 1.00 0.71 C ATOM 182 CG GLN A 12 -6.919 -4.454 3.222 1.00 1.70 C ATOM 183 CD GLN A 12 -8.403 -4.660 3.533 1.00 1.47 C ATOM 184 OE1 GLN A 12 -8.772 -5.608 4.217 1.00 1.88 O ATOM 185 NE2 GLN A 12 -9.289 -3.770 3.104 1.00 2.37 N ATOM 0 H GLN A 12 -6.878 -5.517 -0.627 1.00 0.51 H new ATOM 0 HA GLN A 12 -7.959 -3.529 1.077 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -7.027 -5.902 1.622 1.00 0.71 H new ATOM 0 HB3 GLN A 12 -5.477 -5.092 1.746 1.00 0.71 H new ATOM 0 HG2 GLN A 12 -6.317 -4.989 3.956 1.00 1.70 H new ATOM 0 HG3 GLN A 12 -6.672 -3.397 3.317 1.00 1.70 H new ATOM 0 HE21 GLN A 12 -8.984 -2.980 2.535 1.00 2.37 H new ATOM 0 HE22 GLN A 12 -10.275 -3.875 3.344 1.00 2.37 H new ATOM 194 N VAL A 13 -5.000 -2.889 -0.216 1.00 0.40 N ATOM 195 CA VAL A 13 -3.971 -1.890 -0.425 1.00 0.42 C ATOM 196 C VAL A 13 -4.625 -0.684 -1.077 1.00 0.41 C ATOM 197 O VAL A 13 -4.525 0.423 -0.553 1.00 0.44 O ATOM 198 CB VAL A 13 -2.818 -2.526 -1.224 1.00 0.44 C ATOM 199 CG1 VAL A 13 -1.979 -1.519 -2.008 1.00 0.71 C ATOM 200 CG2 VAL A 13 -1.896 -3.270 -0.251 1.00 0.69 C ATOM 0 H VAL A 13 -4.876 -3.719 -0.795 1.00 0.40 H new ATOM 0 HA VAL A 13 -3.519 -1.535 0.501 1.00 0.42 H new ATOM 0 HB VAL A 13 -3.276 -3.194 -1.953 1.00 0.44 H new ATOM 0 HG11 VAL A 13 -1.188 -2.044 -2.544 1.00 0.71 H new ATOM 0 HG12 VAL A 13 -2.614 -0.994 -2.721 1.00 0.71 H new ATOM 0 HG13 VAL A 13 -1.535 -0.800 -1.319 1.00 0.71 H new ATOM 0 HG21 VAL A 13 -1.075 -3.725 -0.804 1.00 0.69 H new ATOM 0 HG22 VAL A 13 -1.496 -2.568 0.480 1.00 0.69 H new ATOM 0 HG23 VAL A 13 -2.461 -4.047 0.264 1.00 0.69 H new ATOM 210 N GLU A 14 -5.331 -0.880 -2.191 1.00 0.39 N ATOM 211 CA GLU A 14 -5.976 0.245 -2.838 1.00 0.42 C ATOM 212 C GLU A 14 -7.033 0.868 -1.936 1.00 0.39 C ATOM 213 O GLU A 14 -7.198 2.079 -1.968 1.00 0.41 O ATOM 214 CB GLU A 14 -6.506 -0.125 -4.228 1.00 0.50 C ATOM 215 CG GLU A 14 -7.894 -0.773 -4.240 1.00 1.58 C ATOM 216 CD GLU A 14 -8.209 -1.381 -5.607 1.00 2.43 C ATOM 217 OE1 GLU A 14 -8.101 -0.640 -6.611 1.00 2.90 O ATOM 218 OE2 GLU A 14 -8.494 -2.597 -5.655 1.00 3.80 O ATOM 0 H GLU A 14 -5.465 -1.782 -2.648 1.00 0.39 H new ATOM 0 HA GLU A 14 -5.223 1.015 -3.005 1.00 0.42 H new ATOM 0 HB2 GLU A 14 -6.537 0.776 -4.840 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -5.799 -0.807 -4.700 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -7.943 -1.548 -3.475 1.00 1.58 H new ATOM 0 HG3 GLU A 14 -8.648 -0.028 -3.988 1.00 1.58 H new ATOM 225 N TYR A 15 -7.700 0.076 -1.096 1.00 0.38 N ATOM 226 CA TYR A 15 -8.757 0.488 -0.201 1.00 0.37 C ATOM 227 C TYR A 15 -8.223 1.550 0.751 1.00 0.36 C ATOM 228 O TYR A 15 -8.826 2.609 0.872 1.00 0.38 O ATOM 229 CB TYR A 15 -9.315 -0.749 0.516 1.00 0.41 C ATOM 230 CG TYR A 15 -9.871 -0.453 1.878 1.00 0.42 C ATOM 231 CD1 TYR A 15 -9.008 -0.526 2.983 1.00 0.50 C ATOM 232 CD2 TYR A 15 -11.185 0.013 2.021 1.00 0.75 C ATOM 233 CE1 TYR A 15 -9.434 -0.071 4.233 1.00 0.54 C ATOM 234 CE2 TYR A 15 -11.618 0.474 3.274 1.00 0.86 C ATOM 235 CZ TYR A 15 -10.737 0.454 4.383 1.00 0.63 C ATOM 236 OH TYR A 15 -11.122 0.983 5.576 1.00 0.80 O ATOM 0 H TYR A 15 -7.499 -0.922 -1.026 1.00 0.38 H new ATOM 0 HA TYR A 15 -9.585 0.942 -0.746 1.00 0.37 H new ATOM 0 HB2 TYR A 15 -10.098 -1.193 -0.099 1.00 0.41 H new ATOM 0 HB3 TYR A 15 -8.524 -1.493 0.609 1.00 0.41 H new ATOM 0 HD1 TYR A 15 -8.015 -0.934 2.867 1.00 0.50 H new ATOM 0 HD2 TYR A 15 -11.857 0.017 1.176 1.00 0.75 H new ATOM 0 HE1 TYR A 15 -8.769 -0.120 5.083 1.00 0.54 H new ATOM 0 HE2 TYR A 15 -12.625 0.845 3.393 1.00 0.86 H new ATOM 0 HH TYR A 15 -11.408 1.911 5.445 1.00 0.80 H new ATOM 246 N TYR A 16 -7.071 1.329 1.392 1.00 0.37 N ATOM 247 CA TYR A 16 -6.524 2.335 2.306 1.00 0.38 C ATOM 248 C TYR A 16 -6.325 3.676 1.588 1.00 0.44 C ATOM 249 O TYR A 16 -6.483 4.738 2.191 1.00 0.51 O ATOM 250 CB TYR A 16 -5.239 1.830 2.981 1.00 0.42 C ATOM 251 CG TYR A 16 -5.460 1.125 4.308 1.00 0.60 C ATOM 252 CD1 TYR A 16 -5.670 -0.262 4.342 1.00 1.50 C ATOM 253 CD2 TYR A 16 -5.376 1.840 5.519 1.00 2.17 C ATOM 254 CE1 TYR A 16 -5.710 -0.948 5.565 1.00 1.46 C ATOM 255 CE2 TYR A 16 -5.410 1.162 6.751 1.00 2.43 C ATOM 256 CZ TYR A 16 -5.542 -0.245 6.776 1.00 1.18 C ATOM 257 OH TYR A 16 -5.479 -0.937 7.949 1.00 1.47 O ATOM 0 H TYR A 16 -6.510 0.482 1.298 1.00 0.37 H new ATOM 0 HA TYR A 16 -7.247 2.507 3.103 1.00 0.38 H new ATOM 0 HB2 TYR A 16 -4.731 1.146 2.301 1.00 0.42 H new ATOM 0 HB3 TYR A 16 -4.571 2.676 3.140 1.00 0.42 H new ATOM 0 HD1 TYR A 16 -5.802 -0.806 3.418 1.00 1.50 H new ATOM 0 HD2 TYR A 16 -5.285 2.916 5.501 1.00 2.17 H new ATOM 0 HE1 TYR A 16 -5.870 -2.016 5.579 1.00 1.46 H new ATOM 0 HE2 TYR A 16 -5.335 1.715 7.676 1.00 2.43 H new ATOM 0 HH TYR A 16 -5.360 -0.310 8.693 1.00 1.47 H new ATOM 267 N PHE A 17 -6.025 3.643 0.287 1.00 0.52 N ATOM 268 CA PHE A 17 -5.858 4.848 -0.509 1.00 0.63 C ATOM 269 C PHE A 17 -7.139 5.282 -1.234 1.00 0.74 C ATOM 270 O PHE A 17 -7.171 6.394 -1.759 1.00 1.13 O ATOM 271 CB PHE A 17 -4.705 4.630 -1.489 1.00 0.74 C ATOM 272 CG PHE A 17 -3.365 4.576 -0.788 1.00 0.80 C ATOM 273 CD1 PHE A 17 -2.735 5.771 -0.397 1.00 1.38 C ATOM 274 CD2 PHE A 17 -2.773 3.340 -0.474 1.00 1.02 C ATOM 275 CE1 PHE A 17 -1.508 5.732 0.282 1.00 1.71 C ATOM 276 CE2 PHE A 17 -1.561 3.296 0.234 1.00 1.16 C ATOM 277 CZ PHE A 17 -0.935 4.493 0.618 1.00 1.42 C ATOM 0 H PHE A 17 -5.893 2.778 -0.238 1.00 0.52 H new ATOM 0 HA PHE A 17 -5.625 5.671 0.167 1.00 0.63 H new ATOM 0 HB2 PHE A 17 -4.865 3.701 -2.036 1.00 0.74 H new ATOM 0 HB3 PHE A 17 -4.697 5.435 -2.224 1.00 0.74 H new ATOM 0 HD1 PHE A 17 -3.197 6.721 -0.620 1.00 1.38 H new ATOM 0 HD2 PHE A 17 -3.252 2.421 -0.778 1.00 1.02 H new ATOM 0 HE1 PHE A 17 -1.005 6.651 0.546 1.00 1.71 H new ATOM 0 HE2 PHE A 17 -1.112 2.346 0.482 1.00 1.16 H new ATOM 0 HZ PHE A 17 -0.010 4.462 1.174 1.00 1.42 H new ATOM 287 N SER A 18 -8.182 4.449 -1.259 1.00 0.51 N ATOM 288 CA SER A 18 -9.425 4.628 -2.005 1.00 0.58 C ATOM 289 C SER A 18 -10.587 4.976 -1.078 1.00 0.60 C ATOM 290 O SER A 18 -11.658 5.349 -1.550 1.00 0.89 O ATOM 291 CB SER A 18 -9.742 3.368 -2.830 1.00 0.69 C ATOM 292 OG SER A 18 -10.940 3.525 -3.574 1.00 0.71 O ATOM 0 H SER A 18 -8.179 3.579 -0.726 1.00 0.51 H new ATOM 0 HA SER A 18 -9.289 5.466 -2.689 1.00 0.58 H new ATOM 0 HB2 SER A 18 -8.915 3.158 -3.509 1.00 0.69 H new ATOM 0 HB3 SER A 18 -9.835 2.509 -2.165 1.00 0.69 H new ATOM 0 HG SER A 18 -11.517 4.182 -3.131 1.00 0.71 H new ATOM 298 N ASP A 19 -10.378 4.874 0.230 1.00 0.50 N ATOM 299 CA ASP A 19 -11.379 5.073 1.267 1.00 0.52 C ATOM 300 C ASP A 19 -11.114 6.411 1.945 1.00 0.53 C ATOM 301 O ASP A 19 -11.416 6.627 3.113 1.00 0.70 O ATOM 302 CB ASP A 19 -11.203 3.897 2.224 1.00 0.59 C ATOM 303 CG ASP A 19 -12.203 3.850 3.374 1.00 0.71 C ATOM 304 OD1 ASP A 19 -13.395 4.116 3.119 1.00 1.86 O ATOM 305 OD2 ASP A 19 -11.763 3.467 4.486 1.00 2.07 O ATOM 0 H ASP A 19 -9.462 4.639 0.612 1.00 0.50 H new ATOM 0 HA ASP A 19 -12.402 5.103 0.891 1.00 0.52 H new ATOM 0 HB2 ASP A 19 -11.281 2.970 1.656 1.00 0.59 H new ATOM 0 HB3 ASP A 19 -10.196 3.933 2.639 1.00 0.59 H new ATOM 310 N SER A 20 -10.484 7.323 1.198 1.00 0.44 N ATOM 311 CA SER A 20 -9.969 8.594 1.675 1.00 0.47 C ATOM 312 C SER A 20 -9.283 8.463 3.039 1.00 0.51 C ATOM 313 O SER A 20 -9.356 9.366 3.870 1.00 0.56 O ATOM 314 CB SER A 20 -11.097 9.629 1.622 1.00 0.56 C ATOM 315 OG SER A 20 -12.192 9.320 2.461 1.00 2.60 O ATOM 0 H SER A 20 -10.316 7.182 0.202 1.00 0.44 H new ATOM 0 HA SER A 20 -9.171 8.948 1.022 1.00 0.47 H new ATOM 0 HB2 SER A 20 -10.698 10.603 1.905 1.00 0.56 H new ATOM 0 HB3 SER A 20 -11.451 9.715 0.595 1.00 0.56 H new ATOM 0 HG SER A 20 -12.873 10.020 2.381 1.00 2.60 H new ATOM 321 N ASN A 21 -8.576 7.349 3.263 1.00 0.57 N ATOM 322 CA ASN A 21 -7.968 7.091 4.558 1.00 0.62 C ATOM 323 C ASN A 21 -6.593 7.748 4.644 1.00 0.48 C ATOM 324 O ASN A 21 -6.175 8.121 5.731 1.00 0.47 O ATOM 325 CB ASN A 21 -7.928 5.583 4.865 1.00 0.90 C ATOM 326 CG ASN A 21 -8.684 5.281 6.155 1.00 1.06 C ATOM 327 OD1 ASN A 21 -8.393 5.858 7.197 1.00 1.68 O ATOM 328 ND2 ASN A 21 -9.677 4.404 6.122 1.00 1.95 N ATOM 0 H ASN A 21 -8.416 6.622 2.566 1.00 0.57 H new ATOM 0 HA ASN A 21 -8.588 7.544 5.332 1.00 0.62 H new ATOM 0 HB2 ASN A 21 -8.369 5.026 4.039 1.00 0.90 H new ATOM 0 HB3 ASN A 21 -6.894 5.252 4.956 1.00 0.90 H new ATOM 0 HD21 ASN A 21 -10.208 4.203 6.969 1.00 1.95 H new ATOM 0 HD22 ASN A 21 -9.910 3.930 5.249 1.00 1.95 H new ATOM 335 N PHE A 22 -5.904 7.982 3.520 1.00 0.49 N ATOM 336 CA PHE A 22 -4.585 8.602 3.529 1.00 0.54 C ATOM 337 C PHE A 22 -4.595 9.960 4.237 1.00 0.49 C ATOM 338 O PHE A 22 -3.762 10.170 5.116 1.00 0.53 O ATOM 339 CB PHE A 22 -4.006 8.648 2.106 1.00 0.72 C ATOM 340 CG PHE A 22 -3.354 9.953 1.713 1.00 0.87 C ATOM 341 CD1 PHE A 22 -2.166 10.384 2.330 1.00 1.96 C ATOM 342 CD2 PHE A 22 -3.999 10.779 0.781 1.00 2.08 C ATOM 343 CE1 PHE A 22 -1.654 11.658 2.036 1.00 2.18 C ATOM 344 CE2 PHE A 22 -3.503 12.059 0.509 1.00 2.50 C ATOM 345 CZ PHE A 22 -2.324 12.501 1.133 1.00 1.89 C ATOM 0 H PHE A 22 -6.247 7.747 2.589 1.00 0.49 H new ATOM 0 HA PHE A 22 -3.911 7.983 4.121 1.00 0.54 H new ATOM 0 HB2 PHE A 22 -3.271 7.849 2.005 1.00 0.72 H new ATOM 0 HB3 PHE A 22 -4.808 8.435 1.399 1.00 0.72 H new ATOM 0 HD1 PHE A 22 -1.650 9.739 3.026 1.00 1.96 H new ATOM 0 HD2 PHE A 22 -4.883 10.426 0.271 1.00 2.08 H new ATOM 0 HE1 PHE A 22 -0.741 11.992 2.506 1.00 2.18 H new ATOM 0 HE2 PHE A 22 -4.026 12.706 -0.180 1.00 2.50 H new ATOM 0 HZ PHE A 22 -1.934 13.485 0.919 1.00 1.89 H new ATOM 355 N PRO A 23 -5.501 10.895 3.919 1.00 0.49 N ATOM 356 CA PRO A 23 -5.466 12.185 4.572 1.00 0.64 C ATOM 357 C PRO A 23 -5.970 12.092 6.018 1.00 0.67 C ATOM 358 O PRO A 23 -5.728 13.000 6.812 1.00 0.88 O ATOM 359 CB PRO A 23 -6.352 13.091 3.714 1.00 0.73 C ATOM 360 CG PRO A 23 -7.389 12.123 3.150 1.00 0.61 C ATOM 361 CD PRO A 23 -6.588 10.837 2.958 1.00 0.47 C ATOM 0 HA PRO A 23 -4.452 12.577 4.648 1.00 0.64 H new ATOM 0 HB2 PRO A 23 -6.816 13.880 4.306 1.00 0.73 H new ATOM 0 HB3 PRO A 23 -5.783 13.579 2.923 1.00 0.73 H new ATOM 0 HG2 PRO A 23 -8.224 11.980 3.836 1.00 0.61 H new ATOM 0 HG3 PRO A 23 -7.807 12.482 2.210 1.00 0.61 H new ATOM 0 HD2 PRO A 23 -7.212 9.960 3.128 1.00 0.47 H new ATOM 0 HD3 PRO A 23 -6.205 10.764 1.940 1.00 0.47 H new ATOM 369 N ARG A 24 -6.699 11.024 6.365 1.00 0.57 N ATOM 370 CA ARG A 24 -7.362 10.883 7.657 1.00 0.72 C ATOM 371 C ARG A 24 -6.537 10.051 8.633 1.00 0.85 C ATOM 372 O ARG A 24 -6.810 10.083 9.834 1.00 1.37 O ATOM 373 CB ARG A 24 -8.771 10.309 7.414 1.00 0.78 C ATOM 374 CG ARG A 24 -9.660 10.378 8.659 1.00 0.94 C ATOM 375 CD ARG A 24 -9.650 9.069 9.461 1.00 1.20 C ATOM 376 NE ARG A 24 -9.872 9.328 10.891 1.00 1.87 N ATOM 377 CZ ARG A 24 -11.034 9.672 11.457 1.00 2.16 C ATOM 378 NH1 ARG A 24 -12.147 9.742 10.725 1.00 2.79 N ATOM 379 NH2 ARG A 24 -11.084 9.957 12.761 1.00 2.94 N ATOM 0 H ARG A 24 -6.844 10.227 5.745 1.00 0.57 H new ATOM 0 HA ARG A 24 -7.458 11.858 8.135 1.00 0.72 H new ATOM 0 HB2 ARG A 24 -9.247 10.858 6.602 1.00 0.78 H new ATOM 0 HB3 ARG A 24 -8.685 9.272 7.091 1.00 0.78 H new ATOM 0 HG2 ARG A 24 -9.323 11.194 9.298 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -10.682 10.609 8.359 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.424 8.401 9.084 1.00 1.20 H new ATOM 0 HD3 ARG A 24 -8.696 8.561 9.323 1.00 1.20 H new ATOM 0 HE ARG A 24 -9.065 9.237 11.509 1.00 1.87 H new ATOM 0 HH11 ARG A 24 -12.115 9.533 9.727 1.00 2.79 H new ATOM 0 HH12 ARG A 24 -13.030 10.005 11.163 1.00 2.79 H new ATOM 0 HH21 ARG A 24 -10.236 9.912 13.326 1.00 2.94 H new ATOM 0 HH22 ARG A 24 -11.970 10.219 13.192 1.00 2.94 H new ATOM 393 N ASP A 25 -5.516 9.348 8.153 1.00 0.44 N ATOM 394 CA ASP A 25 -4.629 8.557 8.981 1.00 0.42 C ATOM 395 C ASP A 25 -3.239 9.167 8.886 1.00 0.38 C ATOM 396 O ASP A 25 -2.547 9.047 7.879 1.00 0.38 O ATOM 397 CB ASP A 25 -4.629 7.095 8.538 1.00 0.50 C ATOM 398 CG ASP A 25 -3.658 6.276 9.389 1.00 1.79 C ATOM 399 OD1 ASP A 25 -3.160 6.838 10.395 1.00 3.21 O ATOM 400 OD2 ASP A 25 -3.407 5.111 9.014 1.00 2.72 O ATOM 0 H ASP A 25 -5.283 9.315 7.161 1.00 0.44 H new ATOM 0 HA ASP A 25 -4.967 8.568 10.017 1.00 0.42 H new ATOM 0 HB2 ASP A 25 -5.634 6.683 8.625 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -4.347 7.028 7.487 1.00 0.50 H new ATOM 405 N LYS A 26 -2.818 9.831 9.962 1.00 0.40 N ATOM 406 CA LYS A 26 -1.516 10.480 10.031 1.00 0.43 C ATOM 407 C LYS A 26 -0.362 9.517 9.755 1.00 0.40 C ATOM 408 O LYS A 26 0.708 9.984 9.387 1.00 0.48 O ATOM 409 CB LYS A 26 -1.310 11.246 11.345 1.00 0.51 C ATOM 410 CG LYS A 26 -1.146 10.360 12.591 1.00 1.68 C ATOM 411 CD LYS A 26 -2.419 10.288 13.436 1.00 2.46 C ATOM 412 CE LYS A 26 -2.169 9.313 14.590 1.00 3.64 C ATOM 413 NZ LYS A 26 -3.245 9.363 15.602 1.00 4.70 N ATOM 0 H LYS A 26 -3.374 9.932 10.811 1.00 0.40 H new ATOM 0 HA LYS A 26 -1.510 11.217 9.228 1.00 0.43 H new ATOM 0 HB2 LYS A 26 -0.426 11.877 11.246 1.00 0.51 H new ATOM 0 HB3 LYS A 26 -2.160 11.910 11.499 1.00 0.51 H new ATOM 0 HG2 LYS A 26 -0.863 9.354 12.282 1.00 1.68 H new ATOM 0 HG3 LYS A 26 -0.331 10.747 13.202 1.00 1.68 H new ATOM 0 HD2 LYS A 26 -2.677 11.275 13.820 1.00 2.46 H new ATOM 0 HD3 LYS A 26 -3.260 9.952 12.829 1.00 2.46 H new ATOM 0 HE2 LYS A 26 -2.088 8.300 14.197 1.00 3.64 H new ATOM 0 HE3 LYS A 26 -1.216 9.548 15.063 1.00 3.64 H new ATOM 0 HZ1 LYS A 26 -3.036 8.688 16.365 1.00 4.70 H new ATOM 0 HZ2 LYS A 26 -3.306 10.323 15.997 1.00 4.70 H new ATOM 0 HZ3 LYS A 26 -4.151 9.113 15.158 1.00 4.70 H new ATOM 427 N PHE A 27 -0.556 8.207 9.925 1.00 0.35 N ATOM 428 CA PHE A 27 0.409 7.195 9.522 1.00 0.40 C ATOM 429 C PHE A 27 0.673 7.363 8.025 1.00 0.48 C ATOM 430 O PHE A 27 1.778 7.734 7.625 1.00 0.75 O ATOM 431 CB PHE A 27 -0.171 5.819 9.887 1.00 0.42 C ATOM 432 CG PHE A 27 0.792 4.654 9.969 1.00 0.52 C ATOM 433 CD1 PHE A 27 2.011 4.778 10.661 1.00 2.24 C ATOM 434 CD2 PHE A 27 0.407 3.399 9.460 1.00 1.50 C ATOM 435 CE1 PHE A 27 2.843 3.659 10.829 1.00 2.38 C ATOM 436 CE2 PHE A 27 1.227 2.275 9.650 1.00 1.43 C ATOM 437 CZ PHE A 27 2.450 2.404 10.331 1.00 0.83 C ATOM 0 H PHE A 27 -1.398 7.820 10.351 1.00 0.35 H new ATOM 0 HA PHE A 27 1.366 7.294 10.034 1.00 0.40 H new ATOM 0 HB2 PHE A 27 -0.672 5.910 10.851 1.00 0.42 H new ATOM 0 HB3 PHE A 27 -0.937 5.571 9.152 1.00 0.42 H new ATOM 0 HD1 PHE A 27 2.307 5.735 11.064 1.00 2.24 H new ATOM 0 HD2 PHE A 27 -0.524 3.300 8.921 1.00 1.50 H new ATOM 0 HE1 PHE A 27 3.788 3.763 11.342 1.00 2.38 H new ATOM 0 HE2 PHE A 27 0.918 1.311 9.273 1.00 1.43 H new ATOM 0 HZ PHE A 27 3.086 1.542 10.471 1.00 0.83 H new ATOM 447 N LEU A 28 -0.381 7.224 7.214 1.00 0.38 N ATOM 448 CA LEU A 28 -0.291 7.344 5.761 1.00 0.47 C ATOM 449 C LEU A 28 0.150 8.733 5.351 1.00 0.66 C ATOM 450 O LEU A 28 0.845 8.906 4.363 1.00 1.08 O ATOM 451 CB LEU A 28 -1.643 7.074 5.103 1.00 0.38 C ATOM 452 CG LEU A 28 -1.986 5.583 5.034 1.00 0.35 C ATOM 453 CD1 LEU A 28 -3.473 5.319 5.315 1.00 0.39 C ATOM 454 CD2 LEU A 28 -1.653 5.074 3.632 1.00 0.52 C ATOM 0 H LEU A 28 -1.323 7.024 7.551 1.00 0.38 H new ATOM 0 HA LEU A 28 0.442 6.607 5.433 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -2.422 7.595 5.659 1.00 0.38 H new ATOM 0 HB3 LEU A 28 -1.640 7.488 4.095 1.00 0.38 H new ATOM 0 HG LEU A 28 -1.404 5.065 5.796 1.00 0.35 H new ATOM 0 HD11 LEU A 28 -3.670 4.249 5.255 1.00 0.39 H new ATOM 0 HD12 LEU A 28 -3.724 5.679 6.313 1.00 0.39 H new ATOM 0 HD13 LEU A 28 -4.081 5.842 4.577 1.00 0.39 H new ATOM 0 HD21 LEU A 28 -1.891 4.012 3.564 1.00 0.52 H new ATOM 0 HD22 LEU A 28 -2.239 5.625 2.896 1.00 0.52 H new ATOM 0 HD23 LEU A 28 -0.591 5.221 3.434 1.00 0.52 H new ATOM 466 N ARG A 29 -0.279 9.759 6.067 1.00 0.56 N ATOM 467 CA ARG A 29 0.151 11.107 5.756 1.00 0.63 C ATOM 468 C ARG A 29 1.644 11.245 6.028 1.00 0.55 C ATOM 469 O ARG A 29 2.319 11.981 5.321 1.00 0.55 O ATOM 470 CB ARG A 29 -0.737 12.141 6.469 1.00 0.69 C ATOM 471 CG ARG A 29 0.023 13.100 7.391 1.00 2.36 C ATOM 472 CD ARG A 29 -0.960 14.087 8.024 1.00 2.65 C ATOM 473 NE ARG A 29 -0.275 15.307 8.469 1.00 3.66 N ATOM 474 CZ ARG A 29 -0.893 16.433 8.841 1.00 4.05 C ATOM 475 NH1 ARG A 29 -2.222 16.453 8.959 1.00 4.17 N ATOM 476 NH2 ARG A 29 -0.184 17.535 9.087 1.00 4.95 N ATOM 0 H ARG A 29 -0.918 9.684 6.859 1.00 0.56 H new ATOM 0 HA ARG A 29 0.020 11.315 4.694 1.00 0.63 H new ATOM 0 HB2 ARG A 29 -1.269 12.724 5.718 1.00 0.69 H new ATOM 0 HB3 ARG A 29 -1.490 11.613 7.055 1.00 0.69 H new ATOM 0 HG2 ARG A 29 0.542 12.539 8.168 1.00 2.36 H new ATOM 0 HG3 ARG A 29 0.783 13.639 6.825 1.00 2.36 H new ATOM 0 HD2 ARG A 29 -1.736 14.345 7.303 1.00 2.65 H new ATOM 0 HD3 ARG A 29 -1.457 13.616 8.872 1.00 2.65 H new ATOM 0 HE ARG A 29 0.745 15.295 8.496 1.00 3.66 H new ATOM 0 HH11 ARG A 29 -2.764 15.611 8.766 1.00 4.17 H new ATOM 0 HH12 ARG A 29 -2.696 17.311 9.243 1.00 4.17 H new ATOM 0 HH21 ARG A 29 0.831 17.520 8.992 1.00 4.95 H new ATOM 0 HH22 ARG A 29 -0.657 18.393 9.371 1.00 4.95 H new ATOM 490 N SER A 30 2.173 10.572 7.049 1.00 0.52 N ATOM 491 CA SER A 30 3.579 10.659 7.388 1.00 0.54 C ATOM 492 C SER A 30 4.404 9.997 6.294 1.00 0.49 C ATOM 493 O SER A 30 5.402 10.571 5.857 1.00 0.52 O ATOM 494 CB SER A 30 3.847 10.010 8.750 1.00 0.65 C ATOM 495 OG SER A 30 5.133 10.376 9.214 1.00 1.29 O ATOM 0 H SER A 30 1.635 9.955 7.658 1.00 0.52 H new ATOM 0 HA SER A 30 3.868 11.707 7.461 1.00 0.54 H new ATOM 0 HB2 SER A 30 3.089 10.324 9.468 1.00 0.65 H new ATOM 0 HB3 SER A 30 3.776 8.926 8.666 1.00 0.65 H new ATOM 0 HG SER A 30 5.297 9.959 10.086 1.00 1.29 H new ATOM 501 N GLU A 31 4.017 8.797 5.848 1.00 0.49 N ATOM 502 CA GLU A 31 4.804 8.112 4.831 1.00 0.51 C ATOM 503 C GLU A 31 4.681 8.873 3.517 1.00 0.43 C ATOM 504 O GLU A 31 5.690 9.222 2.906 1.00 0.45 O ATOM 505 CB GLU A 31 4.428 6.623 4.755 1.00 0.60 C ATOM 506 CG GLU A 31 3.086 6.295 4.105 1.00 3.02 C ATOM 507 CD GLU A 31 2.498 5.031 4.727 1.00 4.70 C ATOM 508 OE1 GLU A 31 2.017 5.152 5.873 1.00 5.49 O ATOM 509 OE2 GLU A 31 2.545 3.967 4.074 1.00 5.73 O ATOM 0 H GLU A 31 3.188 8.296 6.167 1.00 0.49 H new ATOM 0 HA GLU A 31 5.862 8.110 5.093 1.00 0.51 H new ATOM 0 HB2 GLU A 31 5.211 6.100 4.205 1.00 0.60 H new ATOM 0 HB3 GLU A 31 4.425 6.219 5.767 1.00 0.60 H new ATOM 0 HG2 GLU A 31 2.396 7.129 4.236 1.00 3.02 H new ATOM 0 HG3 GLU A 31 3.217 6.155 3.032 1.00 3.02 H new ATOM 516 N ALA A 32 3.451 9.226 3.142 1.00 0.38 N ATOM 517 CA ALA A 32 3.164 9.918 1.898 1.00 0.33 C ATOM 518 C ALA A 32 3.945 11.232 1.829 1.00 0.32 C ATOM 519 O ALA A 32 4.508 11.572 0.789 1.00 0.37 O ATOM 520 CB ALA A 32 1.654 10.150 1.809 1.00 0.35 C ATOM 0 H ALA A 32 2.621 9.035 3.704 1.00 0.38 H new ATOM 0 HA ALA A 32 3.479 9.315 1.047 1.00 0.33 H new ATOM 0 HB1 ALA A 32 1.420 10.669 0.880 1.00 0.35 H new ATOM 0 HB2 ALA A 32 1.137 9.191 1.829 1.00 0.35 H new ATOM 0 HB3 ALA A 32 1.328 10.755 2.655 1.00 0.35 H new ATOM 526 N ALA A 33 4.050 11.944 2.956 1.00 0.39 N ATOM 527 CA ALA A 33 4.771 13.206 3.079 1.00 0.42 C ATOM 528 C ALA A 33 6.294 13.066 2.944 1.00 0.55 C ATOM 529 O ALA A 33 7.016 14.008 3.263 1.00 0.90 O ATOM 530 CB ALA A 33 4.427 13.871 4.417 1.00 0.64 C ATOM 0 H ALA A 33 3.621 11.645 3.832 1.00 0.39 H new ATOM 0 HA ALA A 33 4.446 13.828 2.245 1.00 0.42 H new ATOM 0 HB1 ALA A 33 4.968 14.813 4.505 1.00 0.64 H new ATOM 0 HB2 ALA A 33 3.355 14.062 4.463 1.00 0.64 H new ATOM 0 HB3 ALA A 33 4.713 13.211 5.236 1.00 0.64 H new ATOM 536 N LYS A 34 6.826 11.950 2.441 1.00 0.46 N ATOM 537 CA LYS A 34 8.176 11.951 1.904 1.00 0.50 C ATOM 538 C LYS A 34 8.127 12.501 0.482 1.00 0.56 C ATOM 539 O LYS A 34 9.030 13.233 0.094 1.00 0.80 O ATOM 540 CB LYS A 34 8.732 10.525 1.906 1.00 0.45 C ATOM 541 CG LYS A 34 9.603 10.208 3.128 1.00 0.73 C ATOM 542 CD LYS A 34 8.839 10.222 4.458 1.00 1.01 C ATOM 543 CE LYS A 34 8.778 11.630 5.062 1.00 1.64 C ATOM 544 NZ LYS A 34 8.067 11.629 6.356 1.00 3.05 N ATOM 0 H LYS A 34 6.347 11.051 2.397 1.00 0.46 H new ATOM 0 HA LYS A 34 8.828 12.574 2.516 1.00 0.50 H new ATOM 0 HB2 LYS A 34 7.902 9.820 1.869 1.00 0.45 H new ATOM 0 HB3 LYS A 34 9.320 10.372 1.001 1.00 0.45 H new ATOM 0 HG2 LYS A 34 10.058 9.227 2.992 1.00 0.73 H new ATOM 0 HG3 LYS A 34 10.416 10.932 3.180 1.00 0.73 H new ATOM 0 HD2 LYS A 34 7.827 9.850 4.300 1.00 1.01 H new ATOM 0 HD3 LYS A 34 9.322 9.544 5.162 1.00 1.01 H new ATOM 0 HE2 LYS A 34 9.789 12.012 5.201 1.00 1.64 H new ATOM 0 HE3 LYS A 34 8.275 12.304 4.369 1.00 1.64 H new ATOM 0 HZ1 LYS A 34 8.027 12.598 6.731 1.00 3.05 H new ATOM 0 HZ2 LYS A 34 7.100 11.270 6.221 1.00 3.05 H new ATOM 0 HZ3 LYS A 34 8.572 11.018 7.029 1.00 3.05 H new ATOM 558 N ASN A 35 7.101 12.164 -0.306 1.00 0.45 N ATOM 559 CA ASN A 35 7.019 12.635 -1.680 1.00 0.51 C ATOM 560 C ASN A 35 5.582 12.756 -2.152 1.00 0.47 C ATOM 561 O ASN A 35 5.205 12.082 -3.107 1.00 0.59 O ATOM 562 CB ASN A 35 7.838 11.706 -2.586 1.00 0.68 C ATOM 563 CG ASN A 35 8.411 12.461 -3.773 1.00 0.81 C ATOM 564 OD1 ASN A 35 9.620 12.580 -3.917 1.00 1.88 O ATOM 565 ND2 ASN A 35 7.564 13.002 -4.635 1.00 2.07 N ATOM 0 H ASN A 35 6.324 11.571 -0.013 1.00 0.45 H new ATOM 0 HA ASN A 35 7.441 13.639 -1.731 1.00 0.51 H new ATOM 0 HB2 ASN A 35 8.648 11.256 -2.012 1.00 0.68 H new ATOM 0 HB3 ASN A 35 7.207 10.891 -2.940 1.00 0.68 H new ATOM 0 HD21 ASN A 35 7.917 13.528 -5.435 1.00 2.07 H new ATOM 0 HD22 ASN A 35 6.559 12.893 -4.499 1.00 2.07 H new ATOM 572 N VAL A 36 4.811 13.658 -1.538 1.00 0.47 N ATOM 573 CA VAL A 36 3.394 13.874 -1.818 1.00 0.51 C ATOM 574 C VAL A 36 2.594 12.631 -1.444 1.00 0.47 C ATOM 575 O VAL A 36 1.934 12.634 -0.409 1.00 0.46 O ATOM 576 CB VAL A 36 3.191 14.402 -3.257 1.00 0.62 C ATOM 577 CG1 VAL A 36 1.816 14.090 -3.851 1.00 0.80 C ATOM 578 CG2 VAL A 36 3.400 15.919 -3.256 1.00 0.63 C ATOM 0 H VAL A 36 5.170 14.276 -0.810 1.00 0.47 H new ATOM 0 HA VAL A 36 2.993 14.668 -1.188 1.00 0.51 H new ATOM 0 HB VAL A 36 3.919 13.888 -3.884 1.00 0.62 H new ATOM 0 HG11 VAL A 36 1.756 14.495 -4.861 1.00 0.80 H new ATOM 0 HG12 VAL A 36 1.670 13.010 -3.883 1.00 0.80 H new ATOM 0 HG13 VAL A 36 1.041 14.543 -3.232 1.00 0.80 H new ATOM 0 HG21 VAL A 36 3.260 16.306 -4.265 1.00 0.63 H new ATOM 0 HG22 VAL A 36 2.678 16.385 -2.585 1.00 0.63 H new ATOM 0 HG23 VAL A 36 4.411 16.147 -2.917 1.00 0.63 H new ATOM 588 N ASP A 37 2.643 11.595 -2.277 1.00 0.49 N ATOM 589 CA ASP A 37 1.981 10.313 -2.043 1.00 0.45 C ATOM 590 C ASP A 37 2.592 9.241 -2.953 1.00 0.50 C ATOM 591 O ASP A 37 1.918 8.336 -3.444 1.00 0.60 O ATOM 592 CB ASP A 37 0.471 10.476 -2.286 1.00 0.59 C ATOM 593 CG ASP A 37 -0.375 9.465 -1.517 1.00 1.08 C ATOM 594 OD1 ASP A 37 0.192 8.619 -0.793 1.00 2.16 O ATOM 595 OD2 ASP A 37 -1.615 9.582 -1.648 1.00 1.84 O ATOM 0 H ASP A 37 3.158 11.624 -3.157 1.00 0.49 H new ATOM 0 HA ASP A 37 2.128 9.992 -1.012 1.00 0.45 H new ATOM 0 HB2 ASP A 37 0.170 11.484 -2.000 1.00 0.59 H new ATOM 0 HB3 ASP A 37 0.268 10.374 -3.352 1.00 0.59 H new ATOM 600 N ASN A 38 3.883 9.408 -3.259 1.00 0.49 N ATOM 601 CA ASN A 38 4.618 8.574 -4.198 1.00 0.55 C ATOM 602 C ASN A 38 5.658 7.711 -3.490 1.00 0.57 C ATOM 603 O ASN A 38 6.306 6.888 -4.133 1.00 0.71 O ATOM 604 CB ASN A 38 5.277 9.450 -5.275 1.00 0.56 C ATOM 605 CG ASN A 38 4.268 10.257 -6.089 1.00 1.09 C ATOM 606 OD1 ASN A 38 3.507 11.055 -5.552 1.00 2.61 O ATOM 607 ND2 ASN A 38 4.256 10.091 -7.405 1.00 1.72 N ATOM 0 H ASN A 38 4.454 10.146 -2.847 1.00 0.49 H new ATOM 0 HA ASN A 38 3.909 7.898 -4.676 1.00 0.55 H new ATOM 0 HB2 ASN A 38 5.981 10.133 -4.799 1.00 0.56 H new ATOM 0 HB3 ASN A 38 5.854 8.816 -5.948 1.00 0.56 H new ATOM 0 HD21 ASN A 38 3.609 10.630 -7.981 1.00 1.72 H new ATOM 0 HD22 ASN A 38 4.893 9.425 -7.841 1.00 1.72 H new ATOM 614 N TYR A 39 5.903 7.963 -2.200 1.00 0.53 N ATOM 615 CA TYR A 39 6.925 7.308 -1.398 1.00 0.62 C ATOM 616 C TYR A 39 6.184 6.680 -0.232 1.00 0.55 C ATOM 617 O TYR A 39 5.639 7.393 0.601 1.00 0.57 O ATOM 618 CB TYR A 39 7.986 8.305 -0.913 1.00 0.72 C ATOM 619 CG TYR A 39 9.176 8.512 -1.840 1.00 1.12 C ATOM 620 CD1 TYR A 39 8.999 8.714 -3.222 1.00 1.94 C ATOM 621 CD2 TYR A 39 10.479 8.532 -1.304 1.00 2.46 C ATOM 622 CE1 TYR A 39 10.101 8.945 -4.059 1.00 2.51 C ATOM 623 CE2 TYR A 39 11.590 8.759 -2.135 1.00 2.94 C ATOM 624 CZ TYR A 39 11.404 8.974 -3.520 1.00 2.52 C ATOM 625 OH TYR A 39 12.465 9.203 -4.343 1.00 3.25 O ATOM 0 H TYR A 39 5.372 8.656 -1.672 1.00 0.53 H new ATOM 0 HA TYR A 39 7.468 6.562 -1.978 1.00 0.62 H new ATOM 0 HB2 TYR A 39 7.504 9.269 -0.751 1.00 0.72 H new ATOM 0 HB3 TYR A 39 8.358 7.968 0.055 1.00 0.72 H new ATOM 0 HD1 TYR A 39 8.004 8.691 -3.642 1.00 1.94 H new ATOM 0 HD2 TYR A 39 10.625 8.372 -0.246 1.00 2.46 H new ATOM 0 HE1 TYR A 39 9.951 9.101 -5.117 1.00 2.51 H new ATOM 0 HE2 TYR A 39 12.585 8.769 -1.716 1.00 2.94 H new ATOM 0 HH TYR A 39 13.293 9.193 -3.819 1.00 3.25 H new ATOM 635 N ILE A 40 6.080 5.352 -0.232 1.00 0.50 N ATOM 636 CA ILE A 40 5.296 4.608 0.737 1.00 0.38 C ATOM 637 C ILE A 40 6.085 3.329 1.040 1.00 0.35 C ATOM 638 O ILE A 40 6.058 2.402 0.231 1.00 0.34 O ATOM 639 CB ILE A 40 3.909 4.304 0.132 1.00 0.44 C ATOM 640 CG1 ILE A 40 3.177 5.572 -0.361 1.00 0.49 C ATOM 641 CG2 ILE A 40 3.021 3.582 1.155 1.00 0.59 C ATOM 642 CD1 ILE A 40 1.791 5.310 -0.966 1.00 0.51 C ATOM 0 H ILE A 40 6.547 4.759 -0.918 1.00 0.50 H new ATOM 0 HA ILE A 40 5.129 5.163 1.660 1.00 0.38 H new ATOM 0 HB ILE A 40 4.089 3.664 -0.732 1.00 0.44 H new ATOM 0 HG12 ILE A 40 3.070 6.263 0.475 1.00 0.49 H new ATOM 0 HG13 ILE A 40 3.798 6.068 -1.107 1.00 0.49 H new ATOM 0 HG21 ILE A 40 2.047 3.376 0.710 1.00 0.59 H new ATOM 0 HG22 ILE A 40 3.492 2.644 1.448 1.00 0.59 H new ATOM 0 HG23 ILE A 40 2.892 4.213 2.034 1.00 0.59 H new ATOM 0 HD11 ILE A 40 1.349 6.254 -1.286 1.00 0.51 H new ATOM 0 HD12 ILE A 40 1.888 4.646 -1.825 1.00 0.51 H new ATOM 0 HD13 ILE A 40 1.150 4.844 -0.218 1.00 0.51 H new ATOM 654 N SER A 41 6.818 3.263 2.153 1.00 0.38 N ATOM 655 CA SER A 41 7.615 2.110 2.499 1.00 0.37 C ATOM 656 C SER A 41 6.725 0.889 2.654 1.00 0.30 C ATOM 657 O SER A 41 5.798 0.882 3.464 1.00 0.43 O ATOM 658 CB SER A 41 8.342 2.382 3.815 1.00 0.46 C ATOM 659 OG SER A 41 9.132 3.543 3.681 1.00 1.91 O ATOM 0 H SER A 41 6.868 4.019 2.836 1.00 0.38 H new ATOM 0 HA SER A 41 8.340 1.921 1.707 1.00 0.37 H new ATOM 0 HB2 SER A 41 7.621 2.510 4.622 1.00 0.46 H new ATOM 0 HB3 SER A 41 8.969 1.531 4.080 1.00 0.46 H new ATOM 0 HG SER A 41 9.598 3.721 4.525 1.00 1.91 H new ATOM 665 N ILE A 42 7.085 -0.195 1.969 1.00 0.23 N ATOM 666 CA ILE A 42 6.458 -1.493 2.183 1.00 0.29 C ATOM 667 C ILE A 42 6.607 -1.950 3.622 1.00 0.40 C ATOM 668 O ILE A 42 5.917 -2.865 4.045 1.00 0.47 O ATOM 669 CB ILE A 42 7.003 -2.533 1.198 1.00 0.44 C ATOM 670 CG1 ILE A 42 8.455 -2.958 1.503 1.00 1.42 C ATOM 671 CG2 ILE A 42 6.892 -1.929 -0.206 1.00 1.76 C ATOM 672 CD1 ILE A 42 8.541 -4.255 2.315 1.00 1.79 C ATOM 0 H ILE A 42 7.814 -0.197 1.256 1.00 0.23 H new ATOM 0 HA ILE A 42 5.390 -1.385 1.991 1.00 0.29 H new ATOM 0 HB ILE A 42 6.415 -3.447 1.285 1.00 0.44 H new ATOM 0 HG12 ILE A 42 8.995 -3.087 0.565 1.00 1.42 H new ATOM 0 HG13 ILE A 42 8.954 -2.159 2.051 1.00 1.42 H new ATOM 0 HG21 ILE A 42 7.271 -2.641 -0.939 1.00 1.76 H new ATOM 0 HG22 ILE A 42 5.848 -1.705 -0.424 1.00 1.76 H new ATOM 0 HG23 ILE A 42 7.478 -1.011 -0.255 1.00 1.76 H new ATOM 0 HD11 ILE A 42 9.587 -4.501 2.497 1.00 1.79 H new ATOM 0 HD12 ILE A 42 8.028 -4.123 3.268 1.00 1.79 H new ATOM 0 HD13 ILE A 42 8.069 -5.065 1.758 1.00 1.79 H new ATOM 684 N ASP A 43 7.494 -1.318 4.382 1.00 0.51 N ATOM 685 CA ASP A 43 7.709 -1.621 5.778 1.00 0.76 C ATOM 686 C ASP A 43 6.450 -1.238 6.572 1.00 0.79 C ATOM 687 O ASP A 43 5.986 -2.015 7.403 1.00 0.93 O ATOM 688 CB ASP A 43 8.996 -0.903 6.225 1.00 1.01 C ATOM 689 CG ASP A 43 10.193 -1.234 5.302 1.00 1.62 C ATOM 690 OD1 ASP A 43 10.257 -0.674 4.179 1.00 2.60 O ATOM 691 OD2 ASP A 43 11.042 -2.069 5.676 1.00 2.38 O ATOM 0 H ASP A 43 8.091 -0.569 4.032 1.00 0.51 H new ATOM 0 HA ASP A 43 7.861 -2.685 5.961 1.00 0.76 H new ATOM 0 HB2 ASP A 43 8.828 0.174 6.229 1.00 1.01 H new ATOM 0 HB3 ASP A 43 9.236 -1.192 7.248 1.00 1.01 H new ATOM 696 N VAL A 44 5.829 -0.086 6.287 1.00 0.72 N ATOM 697 CA VAL A 44 4.568 0.304 6.880 1.00 0.87 C ATOM 698 C VAL A 44 3.468 -0.610 6.362 1.00 0.78 C ATOM 699 O VAL A 44 2.665 -1.107 7.141 1.00 0.91 O ATOM 700 CB VAL A 44 4.284 1.772 6.527 1.00 0.90 C ATOM 701 CG1 VAL A 44 2.787 2.026 6.564 1.00 1.27 C ATOM 702 CG2 VAL A 44 5.005 2.712 7.494 1.00 1.08 C ATOM 0 H VAL A 44 6.201 0.600 5.630 1.00 0.72 H new ATOM 0 HA VAL A 44 4.608 0.210 7.965 1.00 0.87 H new ATOM 0 HB VAL A 44 4.657 1.969 5.522 1.00 0.90 H new ATOM 0 HG11 VAL A 44 2.588 3.068 6.313 1.00 1.27 H new ATOM 0 HG12 VAL A 44 2.290 1.378 5.842 1.00 1.27 H new ATOM 0 HG13 VAL A 44 2.407 1.815 7.563 1.00 1.27 H new ATOM 0 HG21 VAL A 44 4.790 3.746 7.225 1.00 1.08 H new ATOM 0 HG22 VAL A 44 4.661 2.522 8.511 1.00 1.08 H new ATOM 0 HG23 VAL A 44 6.080 2.539 7.437 1.00 1.08 H new ATOM 712 N ILE A 45 3.394 -0.815 5.049 1.00 0.53 N ATOM 713 CA ILE A 45 2.274 -1.528 4.442 1.00 0.42 C ATOM 714 C ILE A 45 2.255 -2.972 4.945 1.00 0.44 C ATOM 715 O ILE A 45 1.202 -3.568 5.144 1.00 0.50 O ATOM 716 CB ILE A 45 2.377 -1.466 2.913 1.00 0.39 C ATOM 717 CG1 ILE A 45 2.639 -0.039 2.372 1.00 0.50 C ATOM 718 CG2 ILE A 45 1.078 -1.977 2.271 1.00 0.44 C ATOM 719 CD1 ILE A 45 3.093 -0.037 0.910 1.00 0.42 C ATOM 0 H ILE A 45 4.099 -0.496 4.384 1.00 0.53 H new ATOM 0 HA ILE A 45 1.336 -1.054 4.730 1.00 0.42 H new ATOM 0 HB ILE A 45 3.228 -2.094 2.650 1.00 0.39 H new ATOM 0 HG12 ILE A 45 1.729 0.554 2.467 1.00 0.50 H new ATOM 0 HG13 ILE A 45 3.400 0.444 2.985 1.00 0.50 H new ATOM 0 HG21 ILE A 45 1.165 -1.928 1.186 1.00 0.44 H new ATOM 0 HG22 ILE A 45 0.904 -3.009 2.574 1.00 0.44 H new ATOM 0 HG23 ILE A 45 0.243 -1.357 2.597 1.00 0.44 H new ATOM 0 HD11 ILE A 45 3.262 0.989 0.583 1.00 0.42 H new ATOM 0 HD12 ILE A 45 4.018 -0.605 0.816 1.00 0.42 H new ATOM 0 HD13 ILE A 45 2.322 -0.493 0.289 1.00 0.42 H new ATOM 731 N ALA A 46 3.430 -3.540 5.183 1.00 0.49 N ATOM 732 CA ALA A 46 3.566 -4.826 5.831 1.00 0.59 C ATOM 733 C ALA A 46 3.116 -4.724 7.284 1.00 0.68 C ATOM 734 O ALA A 46 2.472 -5.626 7.812 1.00 0.79 O ATOM 735 CB ALA A 46 5.029 -5.280 5.761 1.00 0.58 C ATOM 0 H ALA A 46 4.320 -3.112 4.927 1.00 0.49 H new ATOM 0 HA ALA A 46 2.939 -5.558 5.321 1.00 0.59 H new ATOM 0 HB1 ALA A 46 5.133 -6.249 6.249 1.00 0.58 H new ATOM 0 HB2 ALA A 46 5.334 -5.364 4.718 1.00 0.58 H new ATOM 0 HB3 ALA A 46 5.661 -4.550 6.266 1.00 0.58 H new ATOM 741 N SER A 47 3.474 -3.620 7.936 1.00 0.76 N ATOM 742 CA SER A 47 3.173 -3.370 9.337 1.00 0.86 C ATOM 743 C SER A 47 1.770 -2.772 9.536 1.00 0.82 C ATOM 744 O SER A 47 1.419 -2.424 10.660 1.00 0.97 O ATOM 745 CB SER A 47 4.276 -2.462 9.901 1.00 0.96 C ATOM 746 OG SER A 47 4.258 -2.379 11.312 1.00 1.10 O ATOM 0 H SER A 47 3.992 -2.861 7.493 1.00 0.76 H new ATOM 0 HA SER A 47 3.158 -4.314 9.882 1.00 0.86 H new ATOM 0 HB2 SER A 47 5.247 -2.836 9.577 1.00 0.96 H new ATOM 0 HB3 SER A 47 4.164 -1.462 9.483 1.00 0.96 H new ATOM 0 HG SER A 47 3.330 -2.345 11.626 1.00 1.10 H new ATOM 752 N PHE A 48 0.914 -2.708 8.507 1.00 0.68 N ATOM 753 CA PHE A 48 -0.359 -1.981 8.574 1.00 0.63 C ATOM 754 C PHE A 48 -1.415 -2.626 9.487 1.00 0.57 C ATOM 755 O PHE A 48 -2.581 -2.230 9.454 1.00 0.83 O ATOM 756 CB PHE A 48 -0.946 -1.846 7.157 1.00 0.55 C ATOM 757 CG PHE A 48 -1.383 -0.463 6.739 1.00 0.58 C ATOM 758 CD1 PHE A 48 -1.896 0.461 7.670 1.00 1.90 C ATOM 759 CD2 PHE A 48 -1.268 -0.110 5.382 1.00 1.58 C ATOM 760 CE1 PHE A 48 -2.255 1.748 7.246 1.00 2.09 C ATOM 761 CE2 PHE A 48 -1.635 1.171 4.955 1.00 1.58 C ATOM 762 CZ PHE A 48 -2.118 2.094 5.893 1.00 1.04 C ATOM 0 H PHE A 48 1.085 -3.158 7.608 1.00 0.68 H new ATOM 0 HA PHE A 48 -0.124 -1.010 9.011 1.00 0.63 H new ATOM 0 HB2 PHE A 48 -0.201 -2.199 6.444 1.00 0.55 H new ATOM 0 HB3 PHE A 48 -1.804 -2.514 7.078 1.00 0.55 H new ATOM 0 HD1 PHE A 48 -2.012 0.179 8.706 1.00 1.90 H new ATOM 0 HD2 PHE A 48 -0.895 -0.830 4.668 1.00 1.58 H new ATOM 0 HE1 PHE A 48 -2.634 2.468 7.956 1.00 2.09 H new ATOM 0 HE2 PHE A 48 -1.547 1.446 3.914 1.00 1.58 H new ATOM 0 HZ PHE A 48 -2.389 3.088 5.569 1.00 1.04 H new ATOM 772 N ASN A 49 -1.044 -3.643 10.267 1.00 0.57 N ATOM 773 CA ASN A 49 -1.908 -4.553 10.997 1.00 0.52 C ATOM 774 C ASN A 49 -2.810 -5.319 10.039 1.00 0.44 C ATOM 775 O ASN A 49 -2.521 -6.470 9.736 1.00 0.40 O ATOM 776 CB ASN A 49 -2.647 -3.856 12.149 1.00 0.65 C ATOM 777 CG ASN A 49 -2.978 -4.868 13.239 1.00 0.97 C ATOM 778 OD1 ASN A 49 -2.141 -5.686 13.601 1.00 1.40 O ATOM 779 ND2 ASN A 49 -4.182 -4.843 13.791 1.00 1.78 N ATOM 0 H ASN A 49 -0.058 -3.862 10.411 1.00 0.57 H new ATOM 0 HA ASN A 49 -1.288 -5.301 11.492 1.00 0.52 H new ATOM 0 HB2 ASN A 49 -2.029 -3.056 12.558 1.00 0.65 H new ATOM 0 HB3 ASN A 49 -3.562 -3.394 11.779 1.00 0.65 H new ATOM 0 HD21 ASN A 49 -4.420 -5.509 14.526 1.00 1.78 H new ATOM 0 HD22 ASN A 49 -4.871 -4.157 13.481 1.00 1.78 H new ATOM 786 N ARG A 50 -3.854 -4.681 9.503 1.00 0.50 N ATOM 787 CA ARG A 50 -4.835 -5.294 8.614 1.00 0.51 C ATOM 788 C ARG A 50 -4.177 -6.025 7.449 1.00 0.42 C ATOM 789 O ARG A 50 -4.575 -7.137 7.127 1.00 0.46 O ATOM 790 CB ARG A 50 -5.791 -4.208 8.110 1.00 0.67 C ATOM 791 CG ARG A 50 -7.034 -4.814 7.456 1.00 0.71 C ATOM 792 CD ARG A 50 -7.946 -3.693 6.957 1.00 0.72 C ATOM 793 NE ARG A 50 -9.300 -4.198 6.698 1.00 1.27 N ATOM 794 CZ ARG A 50 -10.331 -4.185 7.548 1.00 1.59 C ATOM 795 NH1 ARG A 50 -10.193 -3.667 8.768 1.00 2.54 N ATOM 796 NH2 ARG A 50 -11.500 -4.706 7.173 1.00 2.24 N ATOM 0 H ARG A 50 -4.042 -3.695 9.683 1.00 0.50 H new ATOM 0 HA ARG A 50 -5.391 -6.046 9.174 1.00 0.51 H new ATOM 0 HB2 ARG A 50 -6.091 -3.571 8.942 1.00 0.67 H new ATOM 0 HB3 ARG A 50 -5.274 -3.572 7.391 1.00 0.67 H new ATOM 0 HG2 ARG A 50 -6.744 -5.458 6.626 1.00 0.71 H new ATOM 0 HG3 ARG A 50 -7.567 -5.439 8.173 1.00 0.71 H new ATOM 0 HD2 ARG A 50 -7.987 -2.894 7.698 1.00 0.72 H new ATOM 0 HD3 ARG A 50 -7.533 -3.261 6.045 1.00 0.72 H new ATOM 0 HE ARG A 50 -9.471 -4.599 5.776 1.00 1.27 H new ATOM 0 HH11 ARG A 50 -9.296 -3.277 9.058 1.00 2.54 H new ATOM 0 HH12 ARG A 50 -10.984 -3.660 9.412 1.00 2.54 H new ATOM 0 HH21 ARG A 50 -11.603 -5.111 6.243 1.00 2.24 H new ATOM 0 HH22 ARG A 50 -12.291 -4.699 7.817 1.00 2.24 H new ATOM 810 N MET A 51 -3.186 -5.420 6.801 1.00 0.36 N ATOM 811 CA MET A 51 -2.449 -6.072 5.728 1.00 0.34 C ATOM 812 C MET A 51 -1.670 -7.255 6.275 1.00 0.33 C ATOM 813 O MET A 51 -1.664 -8.311 5.654 1.00 0.38 O ATOM 814 CB MET A 51 -1.464 -5.122 5.050 1.00 0.42 C ATOM 815 CG MET A 51 -2.117 -4.252 3.983 1.00 0.87 C ATOM 816 SD MET A 51 -3.172 -2.936 4.613 1.00 2.20 S ATOM 817 CE MET A 51 -3.172 -1.903 3.130 1.00 2.46 C ATOM 0 H MET A 51 -2.874 -4.470 7.004 1.00 0.36 H new ATOM 0 HA MET A 51 -3.183 -6.400 4.992 1.00 0.34 H new ATOM 0 HB2 MET A 51 -1.007 -4.481 5.804 1.00 0.42 H new ATOM 0 HB3 MET A 51 -0.661 -5.703 4.596 1.00 0.42 H new ATOM 0 HG2 MET A 51 -1.334 -3.807 3.370 1.00 0.87 H new ATOM 0 HG3 MET A 51 -2.710 -4.890 3.328 1.00 0.87 H new ATOM 0 HE1 MET A 51 -3.158 -0.852 3.419 1.00 2.46 H new ATOM 0 HE2 MET A 51 -2.289 -2.126 2.531 1.00 2.46 H new ATOM 0 HE3 MET A 51 -4.069 -2.107 2.545 1.00 2.46 H new ATOM 827 N LYS A 52 -0.997 -7.110 7.420 1.00 0.33 N ATOM 828 CA LYS A 52 -0.233 -8.212 7.975 1.00 0.41 C ATOM 829 C LYS A 52 -1.140 -9.413 8.202 1.00 0.43 C ATOM 830 O LYS A 52 -0.714 -10.544 8.005 1.00 0.53 O ATOM 831 CB LYS A 52 0.441 -7.801 9.284 1.00 0.49 C ATOM 832 CG LYS A 52 1.639 -8.722 9.524 1.00 0.74 C ATOM 833 CD LYS A 52 2.026 -8.695 10.999 1.00 1.53 C ATOM 834 CE LYS A 52 3.268 -9.559 11.256 1.00 1.68 C ATOM 835 NZ LYS A 52 3.047 -10.987 10.926 1.00 2.49 N ATOM 0 H LYS A 52 -0.970 -6.250 7.968 1.00 0.33 H new ATOM 0 HA LYS A 52 0.546 -8.485 7.263 1.00 0.41 H new ATOM 0 HB2 LYS A 52 0.766 -6.762 9.232 1.00 0.49 H new ATOM 0 HB3 LYS A 52 -0.264 -7.873 10.112 1.00 0.49 H new ATOM 0 HG2 LYS A 52 1.393 -9.740 9.222 1.00 0.74 H new ATOM 0 HG3 LYS A 52 2.483 -8.403 8.912 1.00 0.74 H new ATOM 0 HD2 LYS A 52 2.222 -7.668 11.309 1.00 1.53 H new ATOM 0 HD3 LYS A 52 1.195 -9.057 11.604 1.00 1.53 H new ATOM 0 HE2 LYS A 52 4.100 -9.178 10.664 1.00 1.68 H new ATOM 0 HE3 LYS A 52 3.556 -9.472 12.304 1.00 1.68 H new ATOM 0 HZ1 LYS A 52 3.857 -11.549 11.258 1.00 2.49 H new ATOM 0 HZ2 LYS A 52 2.179 -11.321 11.392 1.00 2.49 H new ATOM 0 HZ3 LYS A 52 2.950 -11.094 9.896 1.00 2.49 H new ATOM 849 N THR A 53 -2.376 -9.186 8.632 1.00 0.40 N ATOM 850 CA THR A 53 -3.305 -10.256 8.928 1.00 0.48 C ATOM 851 C THR A 53 -3.872 -10.844 7.638 1.00 0.54 C ATOM 852 O THR A 53 -3.834 -12.055 7.442 1.00 0.63 O ATOM 853 CB THR A 53 -4.374 -9.714 9.886 1.00 0.49 C ATOM 854 OG1 THR A 53 -4.851 -8.443 9.502 1.00 0.49 O ATOM 855 CG2 THR A 53 -3.717 -9.532 11.252 1.00 0.49 C ATOM 0 H THR A 53 -2.757 -8.252 8.783 1.00 0.40 H new ATOM 0 HA THR A 53 -2.805 -11.086 9.427 1.00 0.48 H new ATOM 0 HB THR A 53 -5.206 -10.418 9.888 1.00 0.49 H new ATOM 0 HG1 THR A 53 -4.666 -8.298 8.551 1.00 0.49 H new ATOM 0 HG21 THR A 53 -4.451 -9.147 11.960 1.00 0.49 H new ATOM 0 HG22 THR A 53 -3.341 -10.492 11.606 1.00 0.49 H new ATOM 0 HG23 THR A 53 -2.890 -8.827 11.167 1.00 0.49 H new ATOM 863 N ILE A 54 -4.369 -9.998 6.733 1.00 0.52 N ATOM 864 CA ILE A 54 -5.035 -10.445 5.510 1.00 0.64 C ATOM 865 C ILE A 54 -4.035 -11.177 4.613 1.00 0.69 C ATOM 866 O ILE A 54 -4.390 -12.107 3.894 1.00 0.83 O ATOM 867 CB ILE A 54 -5.682 -9.229 4.810 1.00 0.66 C ATOM 868 CG1 ILE A 54 -6.835 -8.641 5.638 1.00 0.70 C ATOM 869 CG2 ILE A 54 -6.140 -9.527 3.375 1.00 0.83 C ATOM 870 CD1 ILE A 54 -8.122 -9.439 5.487 1.00 1.28 C ATOM 0 H ILE A 54 -4.320 -8.984 6.828 1.00 0.52 H new ATOM 0 HA ILE A 54 -5.830 -11.153 5.744 1.00 0.64 H new ATOM 0 HB ILE A 54 -4.893 -8.480 4.738 1.00 0.66 H new ATOM 0 HG12 ILE A 54 -6.548 -8.615 6.689 1.00 0.70 H new ATOM 0 HG13 ILE A 54 -7.011 -7.610 5.330 1.00 0.70 H new ATOM 0 HG21 ILE A 54 -6.585 -8.631 2.942 1.00 0.83 H new ATOM 0 HG22 ILE A 54 -5.283 -9.833 2.775 1.00 0.83 H new ATOM 0 HG23 ILE A 54 -6.878 -10.329 3.388 1.00 0.83 H new ATOM 0 HD11 ILE A 54 -8.906 -8.983 6.092 1.00 1.28 H new ATOM 0 HD12 ILE A 54 -8.427 -9.443 4.441 1.00 1.28 H new ATOM 0 HD13 ILE A 54 -7.956 -10.463 5.821 1.00 1.28 H new ATOM 882 N SER A 55 -2.780 -10.744 4.658 1.00 0.61 N ATOM 883 CA SER A 55 -1.703 -11.294 3.856 1.00 0.66 C ATOM 884 C SER A 55 -1.052 -12.461 4.562 1.00 0.65 C ATOM 885 O SER A 55 -0.614 -13.412 3.922 1.00 0.69 O ATOM 886 CB SER A 55 -0.672 -10.192 3.611 1.00 0.70 C ATOM 887 OG SER A 55 0.176 -10.529 2.542 1.00 1.77 O ATOM 0 H SER A 55 -2.481 -9.983 5.268 1.00 0.61 H new ATOM 0 HA SER A 55 -2.103 -11.655 2.909 1.00 0.66 H new ATOM 0 HB2 SER A 55 -1.182 -9.253 3.395 1.00 0.70 H new ATOM 0 HB3 SER A 55 -0.081 -10.034 4.513 1.00 0.70 H new ATOM 0 HG SER A 55 1.070 -10.736 2.886 1.00 1.77 H new ATOM 893 N THR A 56 -0.918 -12.342 5.881 1.00 0.61 N ATOM 894 CA THR A 56 -0.201 -13.268 6.735 1.00 0.65 C ATOM 895 C THR A 56 1.319 -13.307 6.475 1.00 0.64 C ATOM 896 O THR A 56 2.065 -13.712 7.365 1.00 0.73 O ATOM 897 CB THR A 56 -0.931 -14.618 6.689 1.00 0.73 C ATOM 898 OG1 THR A 56 -2.230 -14.453 7.225 1.00 0.81 O ATOM 899 CG2 THR A 56 -0.262 -15.707 7.528 1.00 0.87 C ATOM 0 H THR A 56 -1.325 -11.563 6.399 1.00 0.61 H new ATOM 0 HA THR A 56 -0.221 -12.920 7.768 1.00 0.65 H new ATOM 0 HB THR A 56 -0.925 -14.927 5.644 1.00 0.73 H new ATOM 0 HG1 THR A 56 -2.484 -13.507 7.182 1.00 0.81 H new ATOM 0 HG21 THR A 56 -0.834 -16.632 7.447 1.00 0.87 H new ATOM 0 HG22 THR A 56 0.752 -15.874 7.165 1.00 0.87 H new ATOM 0 HG23 THR A 56 -0.227 -15.393 8.571 1.00 0.87 H new ATOM 907 N ASP A 57 1.822 -12.840 5.325 1.00 0.62 N ATOM 908 CA ASP A 57 3.209 -12.955 4.925 1.00 0.61 C ATOM 909 C ASP A 57 3.588 -11.683 4.163 1.00 0.53 C ATOM 910 O ASP A 57 2.813 -11.165 3.357 1.00 0.51 O ATOM 911 CB ASP A 57 3.355 -14.201 4.043 1.00 0.71 C ATOM 912 CG ASP A 57 4.802 -14.475 3.647 1.00 0.78 C ATOM 913 OD1 ASP A 57 5.675 -13.666 4.031 1.00 1.47 O ATOM 914 OD2 ASP A 57 5.010 -15.462 2.913 1.00 1.90 O ATOM 0 H ASP A 57 1.247 -12.358 4.633 1.00 0.62 H new ATOM 0 HA ASP A 57 3.872 -13.061 5.784 1.00 0.61 H new ATOM 0 HB2 ASP A 57 2.958 -15.066 4.574 1.00 0.71 H new ATOM 0 HB3 ASP A 57 2.753 -14.076 3.143 1.00 0.71 H new ATOM 919 N LEU A 58 4.787 -11.171 4.420 1.00 0.53 N ATOM 920 CA LEU A 58 5.348 -10.010 3.746 1.00 0.52 C ATOM 921 C LEU A 58 5.611 -10.298 2.272 1.00 0.45 C ATOM 922 O LEU A 58 5.664 -9.378 1.465 1.00 0.47 O ATOM 923 CB LEU A 58 6.648 -9.539 4.415 1.00 0.62 C ATOM 924 CG LEU A 58 6.452 -9.010 5.847 1.00 0.76 C ATOM 925 CD1 LEU A 58 6.520 -10.121 6.899 1.00 1.52 C ATOM 926 CD2 LEU A 58 7.545 -7.983 6.164 1.00 1.16 C ATOM 0 H LEU A 58 5.412 -11.565 5.124 1.00 0.53 H new ATOM 0 HA LEU A 58 4.607 -9.214 3.825 1.00 0.52 H new ATOM 0 HB2 LEU A 58 7.355 -10.368 4.437 1.00 0.62 H new ATOM 0 HB3 LEU A 58 7.096 -8.754 3.806 1.00 0.62 H new ATOM 0 HG LEU A 58 5.459 -8.562 5.888 1.00 0.76 H new ATOM 0 HD11 LEU A 58 6.375 -9.692 7.891 1.00 1.52 H new ATOM 0 HD12 LEU A 58 5.739 -10.855 6.704 1.00 1.52 H new ATOM 0 HD13 LEU A 58 7.494 -10.607 6.852 1.00 1.52 H new ATOM 0 HD21 LEU A 58 7.408 -7.607 7.178 1.00 1.16 H new ATOM 0 HD22 LEU A 58 8.524 -8.456 6.082 1.00 1.16 H new ATOM 0 HD23 LEU A 58 7.482 -7.155 5.458 1.00 1.16 H new ATOM 938 N GLN A 59 5.763 -11.561 1.902 1.00 0.43 N ATOM 939 CA GLN A 59 5.938 -11.994 0.532 1.00 0.43 C ATOM 940 C GLN A 59 4.697 -11.598 -0.249 1.00 0.41 C ATOM 941 O GLN A 59 4.788 -10.857 -1.219 1.00 0.55 O ATOM 942 CB GLN A 59 6.148 -13.508 0.520 1.00 0.49 C ATOM 943 CG GLN A 59 6.429 -14.037 -0.892 1.00 0.55 C ATOM 944 CD GLN A 59 6.640 -15.548 -0.891 1.00 1.55 C ATOM 945 OE1 GLN A 59 5.861 -16.297 -1.467 1.00 2.75 O ATOM 946 NE2 GLN A 59 7.705 -16.026 -0.258 1.00 2.82 N ATOM 0 H GLN A 59 5.767 -12.332 2.570 1.00 0.43 H new ATOM 0 HA GLN A 59 6.808 -11.526 0.071 1.00 0.43 H new ATOM 0 HB2 GLN A 59 6.980 -13.764 1.176 1.00 0.49 H new ATOM 0 HB3 GLN A 59 5.263 -14.000 0.922 1.00 0.49 H new ATOM 0 HG2 GLN A 59 5.596 -13.785 -1.548 1.00 0.55 H new ATOM 0 HG3 GLN A 59 7.314 -13.545 -1.297 1.00 0.55 H new ATOM 0 HE21 GLN A 59 8.344 -15.389 0.217 1.00 2.82 H new ATOM 0 HE22 GLN A 59 7.884 -17.030 -0.247 1.00 2.82 H new ATOM 955 N LEU A 60 3.531 -12.066 0.196 1.00 0.36 N ATOM 956 CA LEU A 60 2.263 -11.765 -0.443 1.00 0.37 C ATOM 957 C LEU A 60 1.953 -10.276 -0.372 1.00 0.33 C ATOM 958 O LEU A 60 1.314 -9.751 -1.277 1.00 0.33 O ATOM 959 CB LEU A 60 1.150 -12.606 0.200 1.00 0.45 C ATOM 960 CG LEU A 60 0.645 -13.747 -0.690 1.00 0.65 C ATOM 961 CD1 LEU A 60 -0.188 -13.225 -1.864 1.00 2.09 C ATOM 962 CD2 LEU A 60 1.778 -14.644 -1.198 1.00 1.85 C ATOM 0 H LEU A 60 3.446 -12.668 1.015 1.00 0.36 H new ATOM 0 HA LEU A 60 2.327 -12.025 -1.500 1.00 0.37 H new ATOM 0 HB2 LEU A 60 1.518 -13.024 1.137 1.00 0.45 H new ATOM 0 HB3 LEU A 60 0.313 -11.954 0.449 1.00 0.45 H new ATOM 0 HG LEU A 60 0.002 -14.359 -0.057 1.00 0.65 H new ATOM 0 HD11 LEU A 60 -0.527 -14.064 -2.471 1.00 2.09 H new ATOM 0 HD12 LEU A 60 -1.052 -12.680 -1.483 1.00 2.09 H new ATOM 0 HD13 LEU A 60 0.421 -12.559 -2.475 1.00 2.09 H new ATOM 0 HD21 LEU A 60 1.363 -15.435 -1.823 1.00 1.85 H new ATOM 0 HD22 LEU A 60 2.479 -14.049 -1.783 1.00 1.85 H new ATOM 0 HD23 LEU A 60 2.299 -15.088 -0.350 1.00 1.85 H new ATOM 974 N ILE A 61 2.407 -9.570 0.667 1.00 0.33 N ATOM 975 CA ILE A 61 2.169 -8.133 0.726 1.00 0.39 C ATOM 976 C ILE A 61 3.004 -7.433 -0.349 1.00 0.40 C ATOM 977 O ILE A 61 2.542 -6.507 -1.017 1.00 0.43 O ATOM 978 CB ILE A 61 2.405 -7.592 2.154 1.00 0.49 C ATOM 979 CG1 ILE A 61 1.187 -6.780 2.624 1.00 0.59 C ATOM 980 CG2 ILE A 61 3.679 -6.758 2.354 1.00 0.58 C ATOM 981 CD1 ILE A 61 0.848 -5.584 1.725 1.00 0.98 C ATOM 0 H ILE A 61 2.926 -9.959 1.455 1.00 0.33 H new ATOM 0 HA ILE A 61 1.124 -7.917 0.506 1.00 0.39 H new ATOM 0 HB ILE A 61 2.548 -8.487 2.760 1.00 0.49 H new ATOM 0 HG12 ILE A 61 0.321 -7.440 2.674 1.00 0.59 H new ATOM 0 HG13 ILE A 61 1.372 -6.419 3.636 1.00 0.59 H new ATOM 0 HG21 ILE A 61 3.741 -6.432 3.392 1.00 0.58 H new ATOM 0 HG22 ILE A 61 4.552 -7.364 2.111 1.00 0.58 H new ATOM 0 HG23 ILE A 61 3.649 -5.886 1.701 1.00 0.58 H new ATOM 0 HD11 ILE A 61 -0.022 -5.064 2.125 1.00 0.98 H new ATOM 0 HD12 ILE A 61 1.696 -4.900 1.693 1.00 0.98 H new ATOM 0 HD13 ILE A 61 0.629 -5.937 0.717 1.00 0.98 H new ATOM 993 N THR A 62 4.246 -7.880 -0.531 1.00 0.43 N ATOM 994 CA THR A 62 5.146 -7.241 -1.484 1.00 0.51 C ATOM 995 C THR A 62 4.674 -7.542 -2.900 1.00 0.50 C ATOM 996 O THR A 62 4.672 -6.671 -3.765 1.00 0.54 O ATOM 997 CB THR A 62 6.593 -7.679 -1.228 1.00 0.59 C ATOM 998 OG1 THR A 62 6.971 -7.256 0.064 1.00 1.37 O ATOM 999 CG2 THR A 62 7.578 -7.046 -2.213 1.00 1.31 C ATOM 0 H THR A 62 4.647 -8.676 -0.035 1.00 0.43 H new ATOM 0 HA THR A 62 5.127 -6.159 -1.355 1.00 0.51 H new ATOM 0 HB THR A 62 6.628 -8.762 -1.342 1.00 0.59 H new ATOM 0 HG1 THR A 62 6.620 -7.884 0.730 1.00 1.37 H new ATOM 0 HG21 THR A 62 8.588 -7.389 -1.988 1.00 1.31 H new ATOM 0 HG22 THR A 62 7.314 -7.337 -3.230 1.00 1.31 H new ATOM 0 HG23 THR A 62 7.535 -5.961 -2.124 1.00 1.31 H new ATOM 1007 N GLU A 63 4.228 -8.771 -3.133 1.00 0.46 N ATOM 1008 CA GLU A 63 3.671 -9.182 -4.402 1.00 0.46 C ATOM 1009 C GLU A 63 2.423 -8.372 -4.700 1.00 0.43 C ATOM 1010 O GLU A 63 2.257 -7.916 -5.826 1.00 0.47 O ATOM 1011 CB GLU A 63 3.362 -10.680 -4.361 1.00 0.54 C ATOM 1012 CG GLU A 63 2.871 -11.161 -5.728 1.00 0.56 C ATOM 1013 CD GLU A 63 2.273 -12.562 -5.635 1.00 1.00 C ATOM 1014 OE1 GLU A 63 1.111 -12.647 -5.169 1.00 2.15 O ATOM 1015 OE2 GLU A 63 2.970 -13.519 -6.032 1.00 1.64 O ATOM 0 H GLU A 63 4.246 -9.513 -2.434 1.00 0.46 H new ATOM 0 HA GLU A 63 4.391 -9.001 -5.200 1.00 0.46 H new ATOM 0 HB2 GLU A 63 4.255 -11.234 -4.073 1.00 0.54 H new ATOM 0 HB3 GLU A 63 2.604 -10.881 -3.604 1.00 0.54 H new ATOM 0 HG2 GLU A 63 2.123 -10.468 -6.114 1.00 0.56 H new ATOM 0 HG3 GLU A 63 3.700 -11.162 -6.436 1.00 0.56 H new ATOM 1022 N ALA A 64 1.560 -8.161 -3.705 1.00 0.40 N ATOM 1023 CA ALA A 64 0.338 -7.404 -3.931 1.00 0.40 C ATOM 1024 C ALA A 64 0.685 -6.021 -4.474 1.00 0.40 C ATOM 1025 O ALA A 64 0.098 -5.536 -5.439 1.00 0.46 O ATOM 1026 CB ALA A 64 -0.462 -7.280 -2.637 1.00 0.42 C ATOM 0 H ALA A 64 1.685 -8.499 -2.751 1.00 0.40 H new ATOM 0 HA ALA A 64 -0.275 -7.932 -4.662 1.00 0.40 H new ATOM 0 HB1 ALA A 64 -1.372 -6.711 -2.825 1.00 0.42 H new ATOM 0 HB2 ALA A 64 -0.724 -8.274 -2.274 1.00 0.42 H new ATOM 0 HB3 ALA A 64 0.138 -6.766 -1.886 1.00 0.42 H new ATOM 1032 N LEU A 65 1.684 -5.380 -3.874 1.00 0.39 N ATOM 1033 CA LEU A 65 2.142 -4.094 -4.355 1.00 0.41 C ATOM 1034 C LEU A 65 2.659 -4.236 -5.786 1.00 0.45 C ATOM 1035 O LEU A 65 2.298 -3.446 -6.658 1.00 0.47 O ATOM 1036 CB LEU A 65 3.190 -3.541 -3.397 1.00 0.42 C ATOM 1037 CG LEU A 65 2.516 -3.040 -2.114 1.00 0.43 C ATOM 1038 CD1 LEU A 65 3.571 -2.909 -1.025 1.00 0.52 C ATOM 1039 CD2 LEU A 65 1.876 -1.665 -2.338 1.00 0.45 C ATOM 0 H LEU A 65 2.185 -5.733 -3.059 1.00 0.39 H new ATOM 0 HA LEU A 65 1.321 -3.378 -4.383 1.00 0.41 H new ATOM 0 HB2 LEU A 65 3.919 -4.315 -3.156 1.00 0.42 H new ATOM 0 HB3 LEU A 65 3.736 -2.726 -3.873 1.00 0.42 H new ATOM 0 HG LEU A 65 1.742 -3.750 -1.825 1.00 0.43 H new ATOM 0 HD11 LEU A 65 3.104 -2.553 -0.107 1.00 0.52 H new ATOM 0 HD12 LEU A 65 4.031 -3.881 -0.845 1.00 0.52 H new ATOM 0 HD13 LEU A 65 4.335 -2.199 -1.342 1.00 0.52 H new ATOM 0 HD21 LEU A 65 1.404 -1.329 -1.415 1.00 0.45 H new ATOM 0 HD22 LEU A 65 2.644 -0.950 -2.634 1.00 0.45 H new ATOM 0 HD23 LEU A 65 1.125 -1.737 -3.125 1.00 0.45 H new ATOM 1051 N LYS A 66 3.451 -5.273 -6.059 1.00 0.46 N ATOM 1052 CA LYS A 66 3.990 -5.510 -7.397 1.00 0.52 C ATOM 1053 C LYS A 66 2.889 -5.721 -8.428 1.00 0.52 C ATOM 1054 O LYS A 66 3.097 -5.440 -9.608 1.00 0.54 O ATOM 1055 CB LYS A 66 5.022 -6.646 -7.366 1.00 0.58 C ATOM 1056 CG LYS A 66 5.872 -6.644 -8.646 1.00 0.81 C ATOM 1057 CD LYS A 66 5.365 -7.630 -9.709 1.00 2.13 C ATOM 1058 CE LYS A 66 5.719 -7.129 -11.116 1.00 2.88 C ATOM 1059 NZ LYS A 66 4.764 -6.101 -11.584 1.00 4.81 N ATOM 0 H LYS A 66 3.734 -5.966 -5.366 1.00 0.46 H new ATOM 0 HA LYS A 66 4.516 -4.612 -7.721 1.00 0.52 H new ATOM 0 HB2 LYS A 66 5.668 -6.534 -6.495 1.00 0.58 H new ATOM 0 HB3 LYS A 66 4.512 -7.604 -7.264 1.00 0.58 H new ATOM 0 HG2 LYS A 66 5.881 -5.639 -9.067 1.00 0.81 H new ATOM 0 HG3 LYS A 66 6.902 -6.892 -8.391 1.00 0.81 H new ATOM 0 HD2 LYS A 66 5.808 -8.612 -9.544 1.00 2.13 H new ATOM 0 HD3 LYS A 66 4.285 -7.748 -9.619 1.00 2.13 H new ATOM 0 HE2 LYS A 66 6.727 -6.715 -11.112 1.00 2.88 H new ATOM 0 HE3 LYS A 66 5.721 -7.968 -11.812 1.00 2.88 H new ATOM 0 HZ1 LYS A 66 5.257 -5.425 -12.202 1.00 4.81 H new ATOM 0 HZ2 LYS A 66 3.995 -6.558 -12.114 1.00 4.81 H new ATOM 0 HZ3 LYS A 66 4.368 -5.596 -10.765 1.00 4.81 H new ATOM 1073 N LYS A 67 1.734 -6.224 -8.009 1.00 0.52 N ATOM 1074 CA LYS A 67 0.630 -6.575 -8.884 1.00 0.46 C ATOM 1075 C LYS A 67 -0.526 -5.580 -8.725 1.00 0.43 C ATOM 1076 O LYS A 67 -1.665 -5.950 -8.992 1.00 0.55 O ATOM 1077 CB LYS A 67 0.242 -8.021 -8.527 1.00 0.55 C ATOM 1078 CG LYS A 67 -0.472 -8.784 -9.648 1.00 1.33 C ATOM 1079 CD LYS A 67 -0.857 -10.182 -9.135 1.00 1.33 C ATOM 1080 CE LYS A 67 -2.299 -10.550 -9.502 1.00 3.23 C ATOM 1081 NZ LYS A 67 -2.381 -11.417 -10.692 1.00 3.18 N ATOM 0 H LYS A 67 1.538 -6.403 -7.024 1.00 0.52 H new ATOM 0 HA LYS A 67 0.906 -6.520 -9.937 1.00 0.46 H new ATOM 0 HB2 LYS A 67 1.143 -8.568 -8.250 1.00 0.55 H new ATOM 0 HB3 LYS A 67 -0.403 -8.004 -7.649 1.00 0.55 H new ATOM 0 HG2 LYS A 67 -1.362 -8.241 -9.965 1.00 1.33 H new ATOM 0 HG3 LYS A 67 0.178 -8.868 -10.519 1.00 1.33 H new ATOM 0 HD2 LYS A 67 -0.176 -10.923 -9.554 1.00 1.33 H new ATOM 0 HD3 LYS A 67 -0.738 -10.216 -8.052 1.00 1.33 H new ATOM 0 HE2 LYS A 67 -2.767 -11.055 -8.657 1.00 3.23 H new ATOM 0 HE3 LYS A 67 -2.867 -9.638 -9.683 1.00 3.23 H new ATOM 0 HZ1 LYS A 67 -3.218 -12.029 -10.618 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 -2.457 -10.828 -11.546 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 -1.526 -12.006 -10.752 1.00 3.18 H new ATOM 1095 N SER A 68 -0.265 -4.353 -8.256 1.00 0.47 N ATOM 1096 CA SER A 68 -1.312 -3.424 -7.848 1.00 0.51 C ATOM 1097 C SER A 68 -2.278 -3.047 -8.972 1.00 0.51 C ATOM 1098 O SER A 68 -2.040 -3.306 -10.149 1.00 0.61 O ATOM 1099 CB SER A 68 -0.682 -2.161 -7.262 1.00 0.65 C ATOM 1100 OG SER A 68 -0.219 -2.434 -5.967 1.00 2.12 O ATOM 0 H SER A 68 0.679 -3.982 -8.151 1.00 0.47 H new ATOM 0 HA SER A 68 -1.906 -3.943 -7.096 1.00 0.51 H new ATOM 0 HB2 SER A 68 0.142 -1.825 -7.892 1.00 0.65 H new ATOM 0 HB3 SER A 68 -1.414 -1.354 -7.237 1.00 0.65 H new ATOM 0 HG SER A 68 0.730 -2.674 -6.003 1.00 2.12 H new ATOM 1106 N THR A 69 -3.384 -2.412 -8.577 1.00 0.54 N ATOM 1107 CA THR A 69 -4.529 -2.160 -9.434 1.00 0.55 C ATOM 1108 C THR A 69 -4.785 -0.649 -9.557 1.00 0.70 C ATOM 1109 O THR A 69 -4.614 -0.090 -10.640 1.00 0.90 O ATOM 1110 CB THR A 69 -5.711 -3.027 -8.957 1.00 0.49 C ATOM 1111 OG1 THR A 69 -6.896 -2.625 -9.608 1.00 0.71 O ATOM 1112 CG2 THR A 69 -5.913 -3.067 -7.431 1.00 0.58 C ATOM 0 H THR A 69 -3.504 -2.053 -7.630 1.00 0.54 H new ATOM 0 HA THR A 69 -4.347 -2.470 -10.463 1.00 0.55 H new ATOM 0 HB THR A 69 -5.456 -4.051 -9.231 1.00 0.49 H new ATOM 0 HG1 THR A 69 -7.642 -3.181 -9.301 1.00 0.71 H new ATOM 0 HG21 THR A 69 -6.767 -3.701 -7.194 1.00 0.58 H new ATOM 0 HG22 THR A 69 -5.018 -3.470 -6.956 1.00 0.58 H new ATOM 0 HG23 THR A 69 -6.097 -2.058 -7.062 1.00 0.58 H new ATOM 1120 N ARG A 70 -5.139 0.058 -8.477 1.00 0.71 N ATOM 1121 CA ARG A 70 -5.223 1.522 -8.506 1.00 0.79 C ATOM 1122 C ARG A 70 -3.882 2.192 -8.225 1.00 0.63 C ATOM 1123 O ARG A 70 -3.773 3.402 -8.405 1.00 0.59 O ATOM 1124 CB ARG A 70 -6.256 2.019 -7.481 1.00 0.96 C ATOM 1125 CG ARG A 70 -7.494 2.685 -8.088 1.00 1.54 C ATOM 1126 CD ARG A 70 -8.340 1.715 -8.911 1.00 2.03 C ATOM 1127 NE ARG A 70 -7.873 1.566 -10.296 1.00 2.82 N ATOM 1128 CZ ARG A 70 -8.276 0.592 -11.119 1.00 3.96 C ATOM 1129 NH1 ARG A 70 -9.012 -0.418 -10.653 1.00 4.80 N ATOM 1130 NH2 ARG A 70 -7.955 0.646 -12.413 1.00 5.07 N ATOM 0 H ARG A 70 -5.371 -0.359 -7.575 1.00 0.71 H new ATOM 0 HA ARG A 70 -5.530 1.795 -9.516 1.00 0.79 H new ATOM 0 HB2 ARG A 70 -6.577 1.175 -6.871 1.00 0.96 H new ATOM 0 HB3 ARG A 70 -5.770 2.729 -6.812 1.00 0.96 H new ATOM 0 HG2 ARG A 70 -8.104 3.105 -7.289 1.00 1.54 H new ATOM 0 HG3 ARG A 70 -7.181 3.516 -8.721 1.00 1.54 H new ATOM 0 HD2 ARG A 70 -8.335 0.739 -8.426 1.00 2.03 H new ATOM 0 HD3 ARG A 70 -9.373 2.062 -8.919 1.00 2.03 H new ATOM 0 HE ARG A 70 -7.201 2.246 -10.651 1.00 2.82 H new ATOM 0 HH11 ARG A 70 -9.269 -0.449 -9.666 1.00 4.80 H new ATOM 0 HH12 ARG A 70 -9.318 -1.159 -11.283 1.00 4.80 H new ATOM 0 HH21 ARG A 70 -7.405 1.427 -12.770 1.00 5.07 H new ATOM 0 HH22 ARG A 70 -8.260 -0.094 -13.045 1.00 5.07 H new ATOM 1144 N LEU A 71 -2.882 1.458 -7.734 1.00 0.64 N ATOM 1145 CA LEU A 71 -1.586 2.013 -7.401 1.00 0.53 C ATOM 1146 C LEU A 71 -0.546 1.287 -8.248 1.00 0.52 C ATOM 1147 O LEU A 71 -0.860 0.283 -8.884 1.00 0.63 O ATOM 1148 CB LEU A 71 -1.282 1.885 -5.894 1.00 0.52 C ATOM 1149 CG LEU A 71 -2.468 1.719 -4.931 1.00 0.73 C ATOM 1150 CD1 LEU A 71 -1.917 1.458 -3.529 1.00 1.17 C ATOM 1151 CD2 LEU A 71 -3.328 2.979 -4.845 1.00 1.30 C ATOM 0 H LEU A 71 -2.958 0.456 -7.558 1.00 0.64 H new ATOM 0 HA LEU A 71 -1.568 3.081 -7.618 1.00 0.53 H new ATOM 0 HB2 LEU A 71 -0.619 1.030 -5.758 1.00 0.52 H new ATOM 0 HB3 LEU A 71 -0.726 2.771 -5.589 1.00 0.52 H new ATOM 0 HG LEU A 71 -3.081 0.899 -5.304 1.00 0.73 H new ATOM 0 HD11 LEU A 71 -2.744 1.337 -2.830 1.00 1.17 H new ATOM 0 HD12 LEU A 71 -1.314 0.550 -3.538 1.00 1.17 H new ATOM 0 HD13 LEU A 71 -1.299 2.301 -3.218 1.00 1.17 H new ATOM 0 HD21 LEU A 71 -4.152 2.810 -4.152 1.00 1.30 H new ATOM 0 HD22 LEU A 71 -2.720 3.811 -4.490 1.00 1.30 H new ATOM 0 HD23 LEU A 71 -3.726 3.216 -5.832 1.00 1.30 H new ATOM 1163 N GLN A 72 0.693 1.767 -8.237 1.00 0.47 N ATOM 1164 CA GLN A 72 1.793 1.189 -8.981 1.00 0.48 C ATOM 1165 C GLN A 72 3.023 1.265 -8.082 1.00 0.42 C ATOM 1166 O GLN A 72 3.403 2.356 -7.657 1.00 0.38 O ATOM 1167 CB GLN A 72 2.003 1.996 -10.273 1.00 0.57 C ATOM 1168 CG GLN A 72 2.699 1.167 -11.358 1.00 1.30 C ATOM 1169 CD GLN A 72 1.698 0.292 -12.105 1.00 2.52 C ATOM 1170 OE1 GLN A 72 1.576 -0.895 -11.836 1.00 4.18 O ATOM 1171 NE2 GLN A 72 0.965 0.868 -13.052 1.00 2.86 N ATOM 0 H GLN A 72 0.961 2.589 -7.696 1.00 0.47 H new ATOM 0 HA GLN A 72 1.598 0.154 -9.260 1.00 0.48 H new ATOM 0 HB2 GLN A 72 1.039 2.344 -10.644 1.00 0.57 H new ATOM 0 HB3 GLN A 72 2.599 2.882 -10.055 1.00 0.57 H new ATOM 0 HG2 GLN A 72 3.202 1.831 -12.061 1.00 1.30 H new ATOM 0 HG3 GLN A 72 3.468 0.541 -10.905 1.00 1.30 H new ATOM 0 HE21 GLN A 72 1.085 1.860 -13.258 1.00 2.86 H new ATOM 0 HE22 GLN A 72 0.282 0.318 -13.573 1.00 2.86 H new ATOM 1180 N VAL A 73 3.647 0.132 -7.775 1.00 0.46 N ATOM 1181 CA VAL A 73 4.854 0.108 -6.969 1.00 0.42 C ATOM 1182 C VAL A 73 6.031 0.253 -7.925 1.00 0.44 C ATOM 1183 O VAL A 73 5.968 -0.167 -9.081 1.00 0.55 O ATOM 1184 CB VAL A 73 4.909 -1.174 -6.118 1.00 0.50 C ATOM 1185 CG1 VAL A 73 5.331 -2.395 -6.928 1.00 0.69 C ATOM 1186 CG2 VAL A 73 5.858 -1.061 -4.920 1.00 0.96 C ATOM 0 H VAL A 73 3.329 -0.789 -8.078 1.00 0.46 H new ATOM 0 HA VAL A 73 4.880 0.928 -6.252 1.00 0.42 H new ATOM 0 HB VAL A 73 3.887 -1.299 -5.759 1.00 0.50 H new ATOM 0 HG11 VAL A 73 5.354 -3.271 -6.280 1.00 0.69 H new ATOM 0 HG12 VAL A 73 4.618 -2.559 -7.736 1.00 0.69 H new ATOM 0 HG13 VAL A 73 6.323 -2.228 -7.347 1.00 0.69 H new ATOM 0 HG21 VAL A 73 5.851 -1.997 -4.361 1.00 0.96 H new ATOM 0 HG22 VAL A 73 6.868 -0.857 -5.274 1.00 0.96 H new ATOM 0 HG23 VAL A 73 5.530 -0.249 -4.271 1.00 0.96 H new ATOM 1196 N SER A 74 7.095 0.892 -7.454 1.00 0.39 N ATOM 1197 CA SER A 74 8.343 0.950 -8.183 1.00 0.50 C ATOM 1198 C SER A 74 8.984 -0.425 -8.227 1.00 0.78 C ATOM 1199 O SER A 74 8.641 -1.311 -7.447 1.00 0.96 O ATOM 1200 CB SER A 74 9.280 1.969 -7.536 1.00 0.84 C ATOM 1201 OG SER A 74 10.243 2.390 -8.477 1.00 1.32 O ATOM 0 H SER A 74 7.111 1.381 -6.559 1.00 0.39 H new ATOM 0 HA SER A 74 8.146 1.268 -9.207 1.00 0.50 H new ATOM 0 HB2 SER A 74 8.710 2.825 -7.176 1.00 0.84 H new ATOM 0 HB3 SER A 74 9.772 1.527 -6.670 1.00 0.84 H new ATOM 0 HG SER A 74 10.842 3.045 -8.061 1.00 1.32 H new ATOM 1207 N GLU A 75 9.968 -0.579 -9.105 1.00 1.03 N ATOM 1208 CA GLU A 75 10.729 -1.811 -9.244 1.00 1.58 C ATOM 1209 C GLU A 75 11.569 -2.082 -7.994 1.00 1.23 C ATOM 1210 O GLU A 75 11.997 -3.212 -7.782 1.00 1.49 O ATOM 1211 CB GLU A 75 11.585 -1.712 -10.512 1.00 2.23 C ATOM 1212 CG GLU A 75 10.677 -1.806 -11.748 1.00 2.98 C ATOM 1213 CD GLU A 75 11.259 -1.047 -12.938 1.00 3.19 C ATOM 1214 OE1 GLU A 75 11.014 0.179 -12.992 1.00 3.48 O ATOM 1215 OE2 GLU A 75 11.918 -1.701 -13.776 1.00 3.61 O ATOM 0 H GLU A 75 10.262 0.157 -9.747 1.00 1.03 H new ATOM 0 HA GLU A 75 10.053 -2.661 -9.343 1.00 1.58 H new ATOM 0 HB2 GLU A 75 12.134 -0.770 -10.521 1.00 2.23 H new ATOM 0 HB3 GLU A 75 12.325 -2.513 -10.528 1.00 2.23 H new ATOM 0 HG2 GLU A 75 10.537 -2.853 -12.018 1.00 2.98 H new ATOM 0 HG3 GLU A 75 9.693 -1.405 -11.507 1.00 2.98 H new ATOM 1222 N ASP A 76 11.769 -1.077 -7.131 1.00 0.81 N ATOM 1223 CA ASP A 76 12.449 -1.285 -5.860 1.00 0.64 C ATOM 1224 C ASP A 76 11.552 -2.069 -4.908 1.00 0.55 C ATOM 1225 O ASP A 76 12.038 -2.683 -3.961 1.00 0.60 O ATOM 1226 CB ASP A 76 12.784 0.056 -5.198 1.00 0.81 C ATOM 1227 CG ASP A 76 13.853 0.836 -5.952 1.00 2.23 C ATOM 1228 OD1 ASP A 76 14.925 0.243 -6.200 1.00 2.87 O ATOM 1229 OD2 ASP A 76 13.572 2.014 -6.267 1.00 3.62 O ATOM 0 H ASP A 76 11.468 -0.116 -7.296 1.00 0.81 H new ATOM 0 HA ASP A 76 13.367 -1.838 -6.061 1.00 0.64 H new ATOM 0 HB2 ASP A 76 11.879 0.660 -5.132 1.00 0.81 H new ATOM 0 HB3 ASP A 76 13.123 -0.122 -4.178 1.00 0.81 H new ATOM 1234 N GLY A 77 10.228 -1.975 -5.084 1.00 0.47 N ATOM 1235 CA GLY A 77 9.295 -2.521 -4.108 1.00 0.43 C ATOM 1236 C GLY A 77 9.510 -1.870 -2.747 1.00 0.46 C ATOM 1237 O GLY A 77 9.375 -2.523 -1.720 1.00 0.84 O ATOM 0 H GLY A 77 9.788 -1.529 -5.889 1.00 0.47 H new ATOM 0 HA2 GLY A 77 8.271 -2.353 -4.441 1.00 0.43 H new ATOM 0 HA3 GLY A 77 9.432 -3.599 -4.028 1.00 0.43 H new ATOM 1241 N LYS A 78 9.825 -0.572 -2.740 1.00 0.41 N ATOM 1242 CA LYS A 78 10.033 0.240 -1.542 1.00 0.42 C ATOM 1243 C LYS A 78 9.201 1.516 -1.606 1.00 0.31 C ATOM 1244 O LYS A 78 9.166 2.254 -0.625 1.00 0.31 O ATOM 1245 CB LYS A 78 11.532 0.533 -1.382 1.00 0.66 C ATOM 1246 CG LYS A 78 12.288 -0.709 -0.874 1.00 1.04 C ATOM 1247 CD LYS A 78 12.441 -0.679 0.655 1.00 1.31 C ATOM 1248 CE LYS A 78 12.448 -2.090 1.253 1.00 1.74 C ATOM 1249 NZ LYS A 78 12.555 -2.065 2.737 1.00 3.37 N ATOM 0 H LYS A 78 9.946 -0.040 -3.602 1.00 0.41 H new ATOM 0 HA LYS A 78 9.698 -0.309 -0.662 1.00 0.42 H new ATOM 0 HB2 LYS A 78 11.948 0.850 -2.338 1.00 0.66 H new ATOM 0 HB3 LYS A 78 11.672 1.359 -0.684 1.00 0.66 H new ATOM 0 HG2 LYS A 78 11.753 -1.611 -1.171 1.00 1.04 H new ATOM 0 HG3 LYS A 78 13.272 -0.755 -1.340 1.00 1.04 H new ATOM 0 HD2 LYS A 78 13.367 -0.168 0.918 1.00 1.31 H new ATOM 0 HD3 LYS A 78 11.625 -0.103 1.091 1.00 1.31 H new ATOM 0 HE2 LYS A 78 11.535 -2.611 0.964 1.00 1.74 H new ATOM 0 HE3 LYS A 78 13.283 -2.655 0.839 1.00 1.74 H new ATOM 0 HZ1 LYS A 78 12.574 -3.039 3.100 1.00 3.37 H new ATOM 0 HZ2 LYS A 78 13.430 -1.576 3.014 1.00 3.37 H new ATOM 0 HZ3 LYS A 78 11.736 -1.562 3.136 1.00 3.37 H new ATOM 1263 N MET A 79 8.500 1.771 -2.715 1.00 0.29 N ATOM 1264 CA MET A 79 7.557 2.870 -2.776 1.00 0.26 C ATOM 1265 C MET A 79 6.452 2.552 -3.766 1.00 0.31 C ATOM 1266 O MET A 79 6.676 1.794 -4.703 1.00 0.36 O ATOM 1267 CB MET A 79 8.270 4.170 -3.175 1.00 0.36 C ATOM 1268 CG MET A 79 8.963 4.122 -4.542 1.00 1.88 C ATOM 1269 SD MET A 79 10.494 3.157 -4.640 1.00 2.59 S ATOM 1270 CE MET A 79 11.691 4.379 -4.046 1.00 3.00 C ATOM 0 H MET A 79 8.574 1.228 -3.575 1.00 0.29 H new ATOM 0 HA MET A 79 7.118 3.008 -1.788 1.00 0.26 H new ATOM 0 HB2 MET A 79 7.543 4.982 -3.179 1.00 0.36 H new ATOM 0 HB3 MET A 79 9.012 4.411 -2.414 1.00 0.36 H new ATOM 0 HG2 MET A 79 8.258 3.717 -5.268 1.00 1.88 H new ATOM 0 HG3 MET A 79 9.184 5.144 -4.848 1.00 1.88 H new ATOM 0 HE1 MET A 79 12.689 3.940 -4.045 1.00 3.00 H new ATOM 0 HE2 MET A 79 11.678 5.250 -4.702 1.00 3.00 H new ATOM 0 HE3 MET A 79 11.428 4.684 -3.033 1.00 3.00 H new ATOM 1280 N VAL A 80 5.282 3.160 -3.591 1.00 0.33 N ATOM 1281 CA VAL A 80 4.148 3.012 -4.486 1.00 0.33 C ATOM 1282 C VAL A 80 3.526 4.387 -4.667 1.00 0.35 C ATOM 1283 O VAL A 80 3.686 5.257 -3.815 1.00 0.44 O ATOM 1284 CB VAL A 80 3.182 1.924 -3.957 1.00 0.40 C ATOM 1285 CG1 VAL A 80 2.950 2.009 -2.447 1.00 1.28 C ATOM 1286 CG2 VAL A 80 1.798 1.941 -4.608 1.00 1.50 C ATOM 0 H VAL A 80 5.096 3.782 -2.804 1.00 0.33 H new ATOM 0 HA VAL A 80 4.445 2.655 -5.472 1.00 0.33 H new ATOM 0 HB VAL A 80 3.700 1.002 -4.220 1.00 0.40 H new ATOM 0 HG11 VAL A 80 2.264 1.220 -2.139 1.00 1.28 H new ATOM 0 HG12 VAL A 80 3.900 1.888 -1.926 1.00 1.28 H new ATOM 0 HG13 VAL A 80 2.521 2.980 -2.199 1.00 1.28 H new ATOM 0 HG21 VAL A 80 1.185 1.148 -4.180 1.00 1.50 H new ATOM 0 HG22 VAL A 80 1.322 2.905 -4.427 1.00 1.50 H new ATOM 0 HG23 VAL A 80 1.899 1.783 -5.682 1.00 1.50 H new ATOM 1296 N ARG A 81 2.847 4.586 -5.797 1.00 0.33 N ATOM 1297 CA ARG A 81 2.119 5.815 -6.081 1.00 0.36 C ATOM 1298 C ARG A 81 0.697 5.454 -6.478 1.00 0.36 C ATOM 1299 O ARG A 81 0.479 4.397 -7.063 1.00 0.35 O ATOM 1300 CB ARG A 81 2.819 6.645 -7.172 1.00 0.40 C ATOM 1301 CG ARG A 81 3.110 5.901 -8.489 1.00 1.20 C ATOM 1302 CD ARG A 81 4.510 5.272 -8.500 1.00 1.60 C ATOM 1303 NE ARG A 81 4.825 4.677 -9.809 1.00 2.55 N ATOM 1304 CZ ARG A 81 5.994 4.112 -10.144 1.00 3.40 C ATOM 1305 NH1 ARG A 81 6.979 4.026 -9.247 1.00 3.82 N ATOM 1306 NH2 ARG A 81 6.182 3.646 -11.380 1.00 4.36 N ATOM 0 H ARG A 81 2.789 3.893 -6.543 1.00 0.33 H new ATOM 0 HA ARG A 81 2.097 6.440 -5.188 1.00 0.36 H new ATOM 0 HB2 ARG A 81 2.200 7.514 -7.395 1.00 0.40 H new ATOM 0 HB3 ARG A 81 3.761 7.019 -6.771 1.00 0.40 H new ATOM 0 HG2 ARG A 81 2.362 5.122 -8.638 1.00 1.20 H new ATOM 0 HG3 ARG A 81 3.018 6.595 -9.325 1.00 1.20 H new ATOM 0 HD2 ARG A 81 5.253 6.031 -8.256 1.00 1.60 H new ATOM 0 HD3 ARG A 81 4.572 4.506 -7.727 1.00 1.60 H new ATOM 0 HE ARG A 81 4.094 4.696 -10.520 1.00 2.55 H new ATOM 0 HH11 ARG A 81 6.843 4.391 -8.304 1.00 3.82 H new ATOM 0 HH12 ARG A 81 7.867 3.596 -9.505 1.00 3.82 H new ATOM 0 HH21 ARG A 81 5.436 3.719 -12.072 1.00 4.36 H new ATOM 0 HH22 ARG A 81 7.072 3.217 -11.633 1.00 4.36 H new ATOM 1320 N ARG A 82 -0.272 6.305 -6.146 1.00 0.50 N ATOM 1321 CA ARG A 82 -1.649 6.128 -6.601 1.00 0.55 C ATOM 1322 C ARG A 82 -1.718 6.428 -8.100 1.00 0.62 C ATOM 1323 O ARG A 82 -0.714 6.788 -8.714 1.00 0.88 O ATOM 1324 CB ARG A 82 -2.570 7.059 -5.792 1.00 1.05 C ATOM 1325 CG ARG A 82 -2.578 6.660 -4.308 1.00 1.47 C ATOM 1326 CD ARG A 82 -2.974 7.813 -3.391 1.00 1.83 C ATOM 1327 NE ARG A 82 -4.429 7.944 -3.209 1.00 2.43 N ATOM 1328 CZ ARG A 82 -5.021 9.027 -2.694 1.00 2.94 C ATOM 1329 NH1 ARG A 82 -4.300 10.095 -2.365 1.00 3.52 N ATOM 1330 NH2 ARG A 82 -6.339 9.034 -2.497 1.00 3.96 N ATOM 0 H ARG A 82 -0.127 7.128 -5.561 1.00 0.50 H new ATOM 0 HA ARG A 82 -1.982 5.102 -6.442 1.00 0.55 H new ATOM 0 HB2 ARG A 82 -2.233 8.091 -5.894 1.00 1.05 H new ATOM 0 HB3 ARG A 82 -3.583 7.013 -6.191 1.00 1.05 H new ATOM 0 HG2 ARG A 82 -3.271 5.831 -4.163 1.00 1.47 H new ATOM 0 HG3 ARG A 82 -1.588 6.301 -4.027 1.00 1.47 H new ATOM 0 HD2 ARG A 82 -2.505 7.670 -2.417 1.00 1.83 H new ATOM 0 HD3 ARG A 82 -2.582 8.744 -3.800 1.00 1.83 H new ATOM 0 HE ARG A 82 -5.020 7.163 -3.492 1.00 2.43 H new ATOM 0 HH11 ARG A 82 -3.290 10.091 -2.505 1.00 3.52 H new ATOM 0 HH12 ARG A 82 -4.757 10.918 -1.973 1.00 3.52 H new ATOM 0 HH21 ARG A 82 -6.895 8.214 -2.739 1.00 3.96 H new ATOM 0 HH22 ARG A 82 -6.792 9.859 -2.104 1.00 3.96 H new ATOM 1344 N LEU A 83 -2.911 6.323 -8.682 1.00 0.80 N ATOM 1345 CA LEU A 83 -3.156 6.728 -10.056 1.00 1.11 C ATOM 1346 C LEU A 83 -3.507 8.215 -10.084 1.00 1.34 C ATOM 1347 O LEU A 83 -3.756 8.811 -9.040 1.00 1.57 O ATOM 1348 CB LEU A 83 -4.285 5.884 -10.675 1.00 1.44 C ATOM 1349 CG LEU A 83 -5.718 6.244 -10.233 1.00 2.30 C ATOM 1350 CD1 LEU A 83 -6.692 5.315 -10.964 1.00 2.70 C ATOM 1351 CD2 LEU A 83 -5.961 6.130 -8.723 1.00 3.91 C ATOM 0 H LEU A 83 -3.735 5.953 -8.208 1.00 0.80 H new ATOM 0 HA LEU A 83 -2.257 6.563 -10.650 1.00 1.11 H new ATOM 0 HB2 LEU A 83 -4.227 5.975 -11.760 1.00 1.44 H new ATOM 0 HB3 LEU A 83 -4.104 4.837 -10.433 1.00 1.44 H new ATOM 0 HG LEU A 83 -5.873 7.293 -10.486 1.00 2.30 H new ATOM 0 HD11 LEU A 83 -7.713 5.552 -10.666 1.00 2.70 H new ATOM 0 HD12 LEU A 83 -6.587 5.452 -12.040 1.00 2.70 H new ATOM 0 HD13 LEU A 83 -6.470 4.279 -10.706 1.00 2.70 H new ATOM 0 HD21 LEU A 83 -6.993 6.401 -8.499 1.00 3.91 H new ATOM 0 HD22 LEU A 83 -5.777 5.105 -8.401 1.00 3.91 H new ATOM 0 HD23 LEU A 83 -5.286 6.803 -8.194 1.00 3.91 H new ATOM 1363 N ASP A 84 -3.518 8.803 -11.283 1.00 1.85 N ATOM 1364 CA ASP A 84 -3.801 10.222 -11.487 1.00 2.34 C ATOM 1365 C ASP A 84 -5.193 10.613 -10.977 1.00 2.19 C ATOM 1366 O ASP A 84 -5.295 11.460 -10.091 1.00 2.42 O ATOM 1367 CB ASP A 84 -3.621 10.600 -12.966 1.00 2.85 C ATOM 1368 CG ASP A 84 -2.172 10.971 -13.272 1.00 3.54 C ATOM 1369 OD1 ASP A 84 -1.700 11.961 -12.674 1.00 3.33 O ATOM 1370 OD2 ASP A 84 -1.563 10.249 -14.091 1.00 4.75 O ATOM 0 H ASP A 84 -3.328 8.299 -12.149 1.00 1.85 H new ATOM 0 HA ASP A 84 -3.081 10.789 -10.896 1.00 2.34 H new ATOM 0 HB2 ASP A 84 -3.926 9.765 -13.597 1.00 2.85 H new ATOM 0 HB3 ASP A 84 -4.273 11.439 -13.211 1.00 2.85 H new ATOM 1375 N PRO A 85 -6.289 10.063 -11.526 1.00 2.22 N ATOM 1376 CA PRO A 85 -7.617 10.421 -11.065 1.00 2.35 C ATOM 1377 C PRO A 85 -7.844 9.911 -9.642 1.00 1.97 C ATOM 1378 O PRO A 85 -7.373 8.842 -9.260 1.00 1.72 O ATOM 1379 CB PRO A 85 -8.588 9.792 -12.066 1.00 2.81 C ATOM 1380 CG PRO A 85 -7.802 8.603 -12.616 1.00 2.84 C ATOM 1381 CD PRO A 85 -6.366 9.125 -12.632 1.00 2.56 C ATOM 0 HA PRO A 85 -7.761 11.501 -11.020 1.00 2.35 H new ATOM 0 HB2 PRO A 85 -9.513 9.475 -11.585 1.00 2.81 H new ATOM 0 HB3 PRO A 85 -8.863 10.492 -12.855 1.00 2.81 H new ATOM 0 HG2 PRO A 85 -7.905 7.722 -11.982 1.00 2.84 H new ATOM 0 HG3 PRO A 85 -8.141 8.320 -13.613 1.00 2.84 H new ATOM 0 HD2 PRO A 85 -5.650 8.312 -12.509 1.00 2.56 H new ATOM 0 HD3 PRO A 85 -6.135 9.613 -13.579 1.00 2.56 H new ATOM 1389 N LEU A 86 -8.594 10.678 -8.853 1.00 2.31 N ATOM 1390 CA LEU A 86 -8.903 10.301 -7.482 1.00 2.35 C ATOM 1391 C LEU A 86 -9.761 9.034 -7.476 1.00 2.22 C ATOM 1392 O LEU A 86 -10.487 8.766 -8.432 1.00 2.40 O ATOM 1393 CB LEU A 86 -9.604 11.467 -6.771 1.00 3.00 C ATOM 1394 CG LEU A 86 -8.605 12.405 -6.074 1.00 4.58 C ATOM 1395 CD1 LEU A 86 -7.458 12.855 -6.984 1.00 6.12 C ATOM 1396 CD2 LEU A 86 -9.350 13.644 -5.576 1.00 5.15 C ATOM 0 H LEU A 86 -8.999 11.568 -9.145 1.00 2.31 H new ATOM 0 HA LEU A 86 -7.983 10.083 -6.939 1.00 2.35 H new ATOM 0 HB2 LEU A 86 -10.188 12.034 -7.496 1.00 3.00 H new ATOM 0 HB3 LEU A 86 -10.305 11.073 -6.035 1.00 3.00 H new ATOM 0 HG LEU A 86 -8.163 11.842 -5.252 1.00 4.58 H new ATOM 0 HD11 LEU A 86 -6.791 13.514 -6.429 1.00 6.12 H new ATOM 0 HD12 LEU A 86 -6.903 11.982 -7.328 1.00 6.12 H new ATOM 0 HD13 LEU A 86 -7.863 13.389 -7.843 1.00 6.12 H new ATOM 0 HD21 LEU A 86 -8.649 14.315 -5.080 1.00 5.15 H new ATOM 0 HD22 LEU A 86 -9.808 14.158 -6.421 1.00 5.15 H new ATOM 0 HD23 LEU A 86 -10.125 13.344 -4.871 1.00 5.15 H new ATOM 1408 N PRO A 87 -9.677 8.244 -6.400 1.00 2.13 N ATOM 1409 CA PRO A 87 -10.408 7.000 -6.287 1.00 2.17 C ATOM 1410 C PRO A 87 -11.883 7.279 -6.027 1.00 2.65 C ATOM 1411 O PRO A 87 -12.235 8.302 -5.441 1.00 3.09 O ATOM 1412 CB PRO A 87 -9.783 6.284 -5.096 1.00 2.14 C ATOM 1413 CG PRO A 87 -9.304 7.428 -4.205 1.00 2.33 C ATOM 1414 CD PRO A 87 -8.894 8.505 -5.207 1.00 2.26 C ATOM 0 HA PRO A 87 -10.353 6.403 -7.198 1.00 2.17 H new ATOM 0 HB2 PRO A 87 -10.507 5.651 -4.583 1.00 2.14 H new ATOM 0 HB3 PRO A 87 -8.958 5.641 -5.402 1.00 2.14 H new ATOM 0 HG2 PRO A 87 -10.093 7.777 -3.539 1.00 2.33 H new ATOM 0 HG3 PRO A 87 -8.467 7.125 -3.576 1.00 2.33 H new ATOM 0 HD2 PRO A 87 -9.096 9.502 -4.816 1.00 2.26 H new ATOM 0 HD3 PRO A 87 -7.826 8.456 -5.420 1.00 2.26 H new ATOM 1422 N GLU A 88 -12.745 6.338 -6.408 1.00 2.86 N ATOM 1423 CA GLU A 88 -14.178 6.492 -6.254 1.00 3.45 C ATOM 1424 C GLU A 88 -14.766 5.134 -5.870 1.00 3.57 C ATOM 1425 O GLU A 88 -15.294 4.417 -6.710 1.00 3.49 O ATOM 1426 CB GLU A 88 -14.760 7.069 -7.554 1.00 3.61 C ATOM 1427 CG GLU A 88 -16.185 7.590 -7.334 1.00 4.46 C ATOM 1428 CD GLU A 88 -16.781 8.174 -8.617 1.00 4.84 C ATOM 1429 OE1 GLU A 88 -16.107 9.032 -9.230 1.00 5.41 O ATOM 1430 OE2 GLU A 88 -17.915 7.771 -8.957 1.00 5.23 O ATOM 0 H GLU A 88 -12.464 5.453 -6.830 1.00 2.86 H new ATOM 0 HA GLU A 88 -14.433 7.193 -5.460 1.00 3.45 H new ATOM 0 HB2 GLU A 88 -14.124 7.878 -7.913 1.00 3.61 H new ATOM 0 HB3 GLU A 88 -14.765 6.300 -8.327 1.00 3.61 H new ATOM 0 HG2 GLU A 88 -16.818 6.778 -6.976 1.00 4.46 H new ATOM 0 HG3 GLU A 88 -16.177 8.354 -6.557 1.00 4.46 H new ATOM 1437 N ASN A 89 -14.658 4.780 -4.584 1.00 4.18 N ATOM 1438 CA ASN A 89 -15.183 3.538 -4.013 1.00 4.72 C ATOM 1439 C ASN A 89 -14.769 2.301 -4.802 1.00 4.37 C ATOM 1440 O ASN A 89 -15.618 1.493 -5.176 1.00 4.81 O ATOM 1441 CB ASN A 89 -16.714 3.574 -3.927 1.00 5.32 C ATOM 1442 CG ASN A 89 -17.247 4.785 -3.180 1.00 5.91 C ATOM 1443 OD1 ASN A 89 -17.333 4.787 -1.961 1.00 6.42 O ATOM 1444 ND2 ASN A 89 -17.608 5.842 -3.898 1.00 6.14 N ATOM 0 H ASN A 89 -14.190 5.367 -3.894 1.00 4.18 H new ATOM 0 HA ASN A 89 -14.751 3.467 -3.015 1.00 4.72 H new ATOM 0 HB2 ASN A 89 -17.128 3.567 -4.935 1.00 5.32 H new ATOM 0 HB3 ASN A 89 -17.064 2.668 -3.433 1.00 5.32 H new ATOM 0 HD21 ASN A 89 -17.965 6.677 -3.433 1.00 6.14 H new ATOM 0 HD22 ASN A 89 -17.528 5.819 -4.915 1.00 6.14 H new ATOM 1451 N ILE A 90 -13.471 2.124 -5.042 1.00 3.83 N ATOM 1452 CA ILE A 90 -13.014 0.948 -5.755 1.00 3.79 C ATOM 1453 C ILE A 90 -12.545 -0.078 -4.722 1.00 4.35 C ATOM 1454 O ILE A 90 -11.840 0.287 -3.782 1.00 4.45 O ATOM 1455 CB ILE A 90 -11.896 1.358 -6.723 1.00 3.14 C ATOM 1456 CG1 ILE A 90 -12.392 2.326 -7.816 1.00 3.24 C ATOM 1457 CG2 ILE A 90 -11.260 0.119 -7.361 1.00 3.52 C ATOM 1458 CD1 ILE A 90 -13.376 1.702 -8.812 1.00 4.14 C ATOM 0 H ILE A 90 -12.735 2.770 -4.757 1.00 3.83 H new ATOM 0 HA ILE A 90 -13.810 0.497 -6.348 1.00 3.79 H new ATOM 0 HB ILE A 90 -11.145 1.888 -6.138 1.00 3.14 H new ATOM 0 HG12 ILE A 90 -12.870 3.181 -7.338 1.00 3.24 H new ATOM 0 HG13 ILE A 90 -11.531 2.708 -8.365 1.00 3.24 H new ATOM 0 HG21 ILE A 90 -10.469 0.427 -8.045 1.00 3.52 H new ATOM 0 HG22 ILE A 90 -10.839 -0.516 -6.582 1.00 3.52 H new ATOM 0 HG23 ILE A 90 -12.019 -0.437 -7.911 1.00 3.52 H new ATOM 0 HD11 ILE A 90 -13.674 2.450 -9.546 1.00 4.14 H new ATOM 0 HD12 ILE A 90 -12.897 0.865 -9.321 1.00 4.14 H new ATOM 0 HD13 ILE A 90 -14.257 1.346 -8.278 1.00 4.14 H new ATOM 1470 N ASP A 91 -12.940 -1.343 -4.895 1.00 4.99 N ATOM 1471 CA ASP A 91 -12.593 -2.459 -4.021 1.00 5.67 C ATOM 1472 C ASP A 91 -12.842 -3.756 -4.801 1.00 6.14 C ATOM 1473 O ASP A 91 -12.861 -4.848 -4.193 1.00 7.11 O ATOM 1474 CB ASP A 91 -13.435 -2.400 -2.728 1.00 6.81 C ATOM 1475 CG ASP A 91 -12.595 -2.574 -1.452 1.00 7.78 C ATOM 1476 OD1 ASP A 91 -11.870 -3.588 -1.342 1.00 8.04 O ATOM 1477 OD2 ASP A 91 -12.710 -1.697 -0.564 1.00 8.75 O ATOM 1478 OXT ASP A 91 -13.041 -3.672 -6.036 1.00 6.19 O ATOM 0 H ASP A 91 -13.531 -1.624 -5.677 1.00 4.99 H new ATOM 0 HA ASP A 91 -11.546 -2.412 -3.722 1.00 5.67 H new ATOM 0 HB2 ASP A 91 -13.957 -1.444 -2.685 1.00 6.81 H new ATOM 0 HB3 ASP A 91 -14.198 -3.178 -2.763 1.00 6.81 H new TER 1483 ASP A 91