USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 859 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 102 SER OG : rot 180:sc= -0.0105 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.229 K(o=-0.2,f=-2.2!) USER MOD Set 2.2: A 96 SER OG : rot 82:sc= 0.0325 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 28:sc= 0.264! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.754 K(o=-0.75,f=-0.24) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.9 K(o=-0.9,f=-0.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.25! X(o=-1.2!,f=-1.1) USER MOD Single : A 23 SER OG : rot -60:sc= -1.03 USER MOD Single : A 24 MET CE :methyl 156:sc= -0.0623 (180deg=-1.11) USER MOD Single : A 25 ASN : amide:sc= -0.0948 K(o=-0.095,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc=-0.00553 (180deg=-0.122) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.323 (180deg=-0.906) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.271) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.497) USER MOD Single : A 48 GLN : amide:sc= -7.55! C(o=-7.5!,f=-13!) USER MOD Single : A 50 THR OG1 : rot -94:sc= 0.587 USER MOD Single : A 54 CYS SG : rot 142:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.0008) USER MOD Single : A 56 MET CE :methyl -153:sc= -0.38 (180deg=-1.61!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.325 (180deg=-0.325) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.108) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0931 K(o=-0.093,f=-0.85) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0194 (180deg=-0.168) USER MOD Single : A 86 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.77! K(o=-1.8!,f=-1.2) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 93 SER OG : rot 180:sc= -0.406 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 37:sc= 0.0498 USER MOD Single : A 104 GLN : amide:sc= -0.0586 K(o=-0.059,f=-2!) USER MOD Single : A 109 THR OG1 : rot 39:sc= 0.324 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -86:sc= 0.147 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.464 -9.501 -20.751 1.00 0.00 N ATOM 2 CA GLY A 1 -39.676 -9.306 -22.174 1.00 0.00 C ATOM 3 C GLY A 1 -39.192 -10.483 -22.998 1.00 0.00 C ATOM 4 O GLY A 1 -39.876 -11.501 -23.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.811 -8.670 -20.231 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.980 -10.347 -20.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.448 -9.626 -20.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.738 -9.147 -22.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.157 -8.403 -22.495 1.00 0.00 H new ATOM 8 N SER A 2 -38.010 -10.342 -23.589 1.00 0.00 N ATOM 9 CA SER A 2 -37.437 -11.400 -24.414 1.00 0.00 C ATOM 10 C SER A 2 -36.084 -11.843 -23.867 1.00 0.00 C ATOM 11 O SER A 2 -35.843 -13.033 -23.666 1.00 0.00 O ATOM 12 CB SER A 2 -37.284 -10.922 -25.859 1.00 0.00 C ATOM 13 OG SER A 2 -38.483 -11.114 -26.590 1.00 0.00 O ATOM 0 H SER A 2 -37.430 -9.506 -23.512 1.00 0.00 H new ATOM 0 HA SER A 2 -38.115 -12.253 -24.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.013 -9.866 -25.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.470 -11.464 -26.340 1.00 0.00 H new ATOM 0 HG SER A 2 -38.359 -10.799 -27.510 1.00 0.00 H new ATOM 19 N SER A 3 -35.204 -10.876 -23.627 1.00 0.00 N ATOM 20 CA SER A 3 -33.873 -11.165 -23.107 1.00 0.00 C ATOM 21 C SER A 3 -33.921 -11.419 -21.603 1.00 0.00 C ATOM 22 O SER A 3 -34.891 -11.067 -20.933 1.00 0.00 O ATOM 23 CB SER A 3 -32.921 -10.007 -23.410 1.00 0.00 C ATOM 24 OG SER A 3 -32.362 -10.132 -24.706 1.00 0.00 O ATOM 0 H SER A 3 -35.389 -9.885 -23.785 1.00 0.00 H new ATOM 0 HA SER A 3 -33.505 -12.066 -23.599 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.457 -9.061 -23.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.124 -9.984 -22.667 1.00 0.00 H new ATOM 0 HG SER A 3 -31.759 -9.379 -24.876 1.00 0.00 H new ATOM 30 N GLY A 4 -32.865 -12.034 -21.079 1.00 0.00 N ATOM 31 CA GLY A 4 -32.806 -12.325 -19.658 1.00 0.00 C ATOM 32 C GLY A 4 -31.388 -12.548 -19.171 1.00 0.00 C ATOM 33 O GLY A 4 -30.447 -12.565 -19.964 1.00 0.00 O ATOM 0 H GLY A 4 -32.050 -12.336 -21.613 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.252 -11.500 -19.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.403 -13.212 -19.447 1.00 0.00 H new ATOM 37 N SER A 5 -31.233 -12.717 -17.862 1.00 0.00 N ATOM 38 CA SER A 5 -29.919 -12.934 -17.268 1.00 0.00 C ATOM 39 C SER A 5 -29.186 -14.071 -17.974 1.00 0.00 C ATOM 40 O SER A 5 -29.538 -15.240 -17.822 1.00 0.00 O ATOM 41 CB SER A 5 -30.055 -13.247 -15.777 1.00 0.00 C ATOM 42 OG SER A 5 -28.829 -13.034 -15.098 1.00 0.00 O ATOM 0 H SER A 5 -32.002 -12.708 -17.192 1.00 0.00 H new ATOM 0 HA SER A 5 -29.337 -12.020 -17.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.831 -12.619 -15.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.372 -14.282 -15.647 1.00 0.00 H new ATOM 0 HG SER A 5 -28.942 -13.239 -14.146 1.00 0.00 H new ATOM 48 N SER A 6 -28.163 -13.717 -18.747 1.00 0.00 N ATOM 49 CA SER A 6 -27.382 -14.706 -19.480 1.00 0.00 C ATOM 50 C SER A 6 -26.021 -14.139 -19.874 1.00 0.00 C ATOM 51 O SER A 6 -25.934 -13.095 -20.517 1.00 0.00 O ATOM 52 CB SER A 6 -28.138 -15.162 -20.729 1.00 0.00 C ATOM 53 OG SER A 6 -28.181 -14.133 -21.702 1.00 0.00 O ATOM 0 H SER A 6 -27.857 -12.753 -18.881 1.00 0.00 H new ATOM 0 HA SER A 6 -27.224 -15.564 -18.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.655 -16.044 -21.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.153 -15.453 -20.458 1.00 0.00 H new ATOM 0 HG SER A 6 -27.401 -13.550 -21.596 1.00 0.00 H new ATOM 59 N GLY A 7 -24.960 -14.838 -19.481 1.00 0.00 N ATOM 60 CA GLY A 7 -23.617 -14.390 -19.802 1.00 0.00 C ATOM 61 C GLY A 7 -22.839 -13.965 -18.572 1.00 0.00 C ATOM 62 O GLY A 7 -23.021 -12.857 -18.067 1.00 0.00 O ATOM 0 H GLY A 7 -25.006 -15.706 -18.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.081 -15.193 -20.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.673 -13.554 -20.500 1.00 0.00 H new ATOM 66 N MET A 8 -21.971 -14.847 -18.089 1.00 0.00 N ATOM 67 CA MET A 8 -21.163 -14.557 -16.910 1.00 0.00 C ATOM 68 C MET A 8 -19.680 -14.763 -17.203 1.00 0.00 C ATOM 69 O MET A 8 -19.312 -15.580 -18.046 1.00 0.00 O ATOM 70 CB MET A 8 -21.592 -15.445 -15.740 1.00 0.00 C ATOM 71 CG MET A 8 -22.993 -15.146 -15.233 1.00 0.00 C ATOM 72 SD MET A 8 -24.277 -15.822 -16.303 1.00 0.00 S ATOM 73 CE MET A 8 -24.629 -17.370 -15.473 1.00 0.00 C ATOM 0 H MET A 8 -21.809 -15.768 -18.495 1.00 0.00 H new ATOM 0 HA MET A 8 -21.320 -13.513 -16.641 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.541 -16.489 -16.049 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.884 -15.320 -14.921 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.108 -15.557 -14.230 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.124 -14.067 -15.152 1.00 0.00 H new ATOM 0 HE1 MET A 8 -25.407 -17.906 -16.017 1.00 0.00 H new ATOM 0 HE2 MET A 8 -23.725 -17.978 -15.439 1.00 0.00 H new ATOM 0 HE3 MET A 8 -24.969 -17.169 -14.457 1.00 0.00 H new ATOM 83 N ASN A 9 -18.833 -14.016 -16.502 1.00 0.00 N ATOM 84 CA ASN A 9 -17.390 -14.117 -16.688 1.00 0.00 C ATOM 85 C ASN A 9 -16.645 -13.495 -15.511 1.00 0.00 C ATOM 86 O ASN A 9 -16.778 -12.302 -15.239 1.00 0.00 O ATOM 87 CB ASN A 9 -16.974 -13.430 -17.990 1.00 0.00 C ATOM 88 CG ASN A 9 -17.494 -12.009 -18.085 1.00 0.00 C ATOM 89 OD1 ASN A 9 -18.602 -11.772 -18.565 1.00 0.00 O ATOM 90 ND2 ASN A 9 -16.692 -11.054 -17.627 1.00 0.00 N ATOM 0 H ASN A 9 -19.121 -13.334 -15.800 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.129 -15.174 -16.743 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.886 -13.422 -18.062 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.345 -14.007 -18.837 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.987 -10.078 -17.665 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.781 -11.296 -17.237 1.00 0.00 H new ATOM 97 N ARG A 10 -15.861 -14.313 -14.816 1.00 0.00 N ATOM 98 CA ARG A 10 -15.095 -13.843 -13.667 1.00 0.00 C ATOM 99 C ARG A 10 -13.615 -13.715 -14.017 1.00 0.00 C ATOM 100 O ARG A 10 -13.012 -14.638 -14.565 1.00 0.00 O ATOM 101 CB ARG A 10 -15.269 -14.799 -12.486 1.00 0.00 C ATOM 102 CG ARG A 10 -14.654 -14.288 -11.193 1.00 0.00 C ATOM 103 CD ARG A 10 -15.547 -13.257 -10.521 1.00 0.00 C ATOM 104 NE ARG A 10 -16.806 -13.838 -10.065 1.00 0.00 N ATOM 105 CZ ARG A 10 -17.912 -13.867 -10.801 1.00 0.00 C ATOM 106 NH1 ARG A 10 -17.912 -13.351 -12.023 1.00 0.00 N ATOM 107 NH2 ARG A 10 -19.019 -14.413 -10.316 1.00 0.00 N ATOM 0 H ARG A 10 -15.739 -15.303 -15.028 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.472 -12.859 -13.388 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.333 -14.977 -12.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.819 -15.759 -12.738 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.486 -15.124 -10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.680 -13.846 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.021 -12.820 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.754 -12.446 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.839 -14.244 -9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.062 -12.931 -12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.762 -13.374 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.022 -14.811 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.867 -14.435 -10.882 1.00 0.00 H new ATOM 121 N THR A 11 -13.035 -12.562 -13.697 1.00 0.00 N ATOM 122 CA THR A 11 -11.627 -12.311 -13.978 1.00 0.00 C ATOM 123 C THR A 11 -11.074 -11.211 -13.080 1.00 0.00 C ATOM 124 O THR A 11 -11.688 -10.155 -12.926 1.00 0.00 O ATOM 125 CB THR A 11 -11.410 -11.913 -15.451 1.00 0.00 C ATOM 126 OG1 THR A 11 -10.010 -11.877 -15.748 1.00 0.00 O ATOM 127 CG2 THR A 11 -12.031 -10.554 -15.741 1.00 0.00 C ATOM 0 H THR A 11 -13.519 -11.787 -13.243 1.00 0.00 H new ATOM 0 HA THR A 11 -11.095 -13.241 -13.778 1.00 0.00 H new ATOM 0 HB THR A 11 -11.895 -12.659 -16.081 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.881 -11.625 -16.686 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.865 -10.294 -16.786 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.102 -10.593 -15.542 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.571 -9.800 -15.102 1.00 0.00 H new ATOM 135 N ALA A 12 -9.911 -11.464 -12.489 1.00 0.00 N ATOM 136 CA ALA A 12 -9.274 -10.493 -11.608 1.00 0.00 C ATOM 137 C ALA A 12 -8.039 -9.885 -12.262 1.00 0.00 C ATOM 138 O ALA A 12 -7.614 -10.320 -13.332 1.00 0.00 O ATOM 139 CB ALA A 12 -8.906 -11.145 -10.283 1.00 0.00 C ATOM 0 H ALA A 12 -9.391 -12.334 -12.604 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.985 -9.689 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.431 -10.409 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.807 -11.525 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.216 -11.969 -10.462 1.00 0.00 H new ATOM 145 N MET A 13 -7.466 -8.877 -11.612 1.00 0.00 N ATOM 146 CA MET A 13 -6.278 -8.210 -12.132 1.00 0.00 C ATOM 147 C MET A 13 -5.208 -8.087 -11.053 1.00 0.00 C ATOM 148 O MET A 13 -5.464 -8.353 -9.878 1.00 0.00 O ATOM 149 CB MET A 13 -6.639 -6.823 -12.669 1.00 0.00 C ATOM 150 CG MET A 13 -7.313 -5.930 -11.640 1.00 0.00 C ATOM 151 SD MET A 13 -6.157 -5.284 -10.417 1.00 0.00 S ATOM 152 CE MET A 13 -6.660 -3.566 -10.349 1.00 0.00 C ATOM 0 H MET A 13 -7.805 -8.505 -10.725 1.00 0.00 H new ATOM 0 HA MET A 13 -5.880 -8.815 -12.947 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.733 -6.333 -13.025 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.300 -6.936 -13.529 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.799 -5.098 -12.150 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.095 -6.494 -11.132 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.035 -3.032 -9.633 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.548 -3.115 -11.335 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.703 -3.504 -10.038 1.00 0.00 H new ATOM 162 N ARG A 14 -4.008 -7.683 -11.458 1.00 0.00 N ATOM 163 CA ARG A 14 -2.899 -7.527 -10.525 1.00 0.00 C ATOM 164 C ARG A 14 -2.352 -6.103 -10.564 1.00 0.00 C ATOM 165 O ARG A 14 -2.595 -5.360 -11.515 1.00 0.00 O ATOM 166 CB ARG A 14 -1.784 -8.521 -10.855 1.00 0.00 C ATOM 167 CG ARG A 14 -2.028 -9.915 -10.301 1.00 0.00 C ATOM 168 CD ARG A 14 -0.744 -10.730 -10.255 1.00 0.00 C ATOM 169 NE ARG A 14 -0.013 -10.529 -9.007 1.00 0.00 N ATOM 170 CZ ARG A 14 1.209 -11.001 -8.787 1.00 0.00 C ATOM 171 NH1 ARG A 14 1.833 -11.698 -9.727 1.00 0.00 N ATOM 172 NH2 ARG A 14 1.809 -10.777 -7.625 1.00 0.00 N ATOM 0 H ARG A 14 -3.779 -7.458 -12.426 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.271 -7.728 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.673 -8.584 -11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.842 -8.142 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.449 -9.841 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.765 -10.429 -10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.982 -11.788 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.108 -10.453 -11.096 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.465 -9.997 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.375 -11.873 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.771 -12.059 -9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.332 -10.242 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.747 -11.140 -7.457 1.00 0.00 H new ATOM 186 N ALA A 15 -1.615 -5.729 -9.523 1.00 0.00 N ATOM 187 CA ALA A 15 -1.033 -4.395 -9.439 1.00 0.00 C ATOM 188 C ALA A 15 0.487 -4.452 -9.536 1.00 0.00 C ATOM 189 O ALA A 15 1.116 -5.387 -9.040 1.00 0.00 O ATOM 190 CB ALA A 15 -1.456 -3.716 -8.144 1.00 0.00 C ATOM 0 H ALA A 15 -1.407 -6.331 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.403 -3.810 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.014 -2.721 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.542 -3.633 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.114 -4.308 -7.295 1.00 0.00 H new ATOM 196 N SER A 16 1.073 -3.447 -10.180 1.00 0.00 N ATOM 197 CA SER A 16 2.520 -3.386 -10.347 1.00 0.00 C ATOM 198 C SER A 16 3.070 -2.059 -9.833 1.00 0.00 C ATOM 199 O SER A 16 2.313 -1.137 -9.529 1.00 0.00 O ATOM 200 CB SER A 16 2.893 -3.569 -11.819 1.00 0.00 C ATOM 201 OG SER A 16 4.172 -4.166 -11.951 1.00 0.00 O ATOM 0 H SER A 16 0.567 -2.664 -10.595 1.00 0.00 H new ATOM 0 HA SER A 16 2.963 -4.194 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.146 -4.190 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.886 -2.602 -12.322 1.00 0.00 H new ATOM 0 HG SER A 16 4.386 -4.274 -12.901 1.00 0.00 H new ATOM 207 N GLN A 17 4.393 -1.971 -9.737 1.00 0.00 N ATOM 208 CA GLN A 17 5.045 -0.758 -9.259 1.00 0.00 C ATOM 209 C GLN A 17 4.375 0.484 -9.837 1.00 0.00 C ATOM 210 O GLN A 17 3.943 1.370 -9.099 1.00 0.00 O ATOM 211 CB GLN A 17 6.529 -0.771 -9.631 1.00 0.00 C ATOM 212 CG GLN A 17 7.283 0.464 -9.165 1.00 0.00 C ATOM 213 CD GLN A 17 7.157 0.697 -7.673 1.00 0.00 C ATOM 214 OE1 GLN A 17 7.905 0.126 -6.878 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.208 1.540 -7.283 1.00 0.00 N ATOM 0 H GLN A 17 5.034 -2.725 -9.984 1.00 0.00 H new ATOM 0 HA GLN A 17 4.950 -0.728 -8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.996 -1.656 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.623 -0.857 -10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.337 0.361 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.907 1.337 -9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.611 1.991 -7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.077 1.736 -6.291 1.00 0.00 H new ATOM 224 N LYS A 18 4.291 0.543 -11.162 1.00 0.00 N ATOM 225 CA LYS A 18 3.673 1.676 -11.840 1.00 0.00 C ATOM 226 C LYS A 18 2.315 2.003 -11.227 1.00 0.00 C ATOM 227 O LYS A 18 2.047 3.148 -10.864 1.00 0.00 O ATOM 228 CB LYS A 18 3.512 1.377 -13.333 1.00 0.00 C ATOM 229 CG LYS A 18 3.387 2.623 -14.192 1.00 0.00 C ATOM 230 CD LYS A 18 3.187 2.272 -15.657 1.00 0.00 C ATOM 231 CE LYS A 18 3.020 3.519 -16.512 1.00 0.00 C ATOM 232 NZ LYS A 18 1.624 4.036 -16.471 1.00 0.00 N ATOM 0 H LYS A 18 4.644 -0.181 -11.788 1.00 0.00 H new ATOM 0 HA LYS A 18 4.325 2.541 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.369 0.796 -13.673 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.628 0.756 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.547 3.224 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.283 3.233 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.041 1.697 -16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.308 1.637 -15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.704 4.293 -16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.293 3.292 -17.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.551 4.886 -17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.973 3.307 -16.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.372 4.277 -15.491 1.00 0.00 H new ATOM 246 N ASP A 19 1.463 0.990 -11.114 1.00 0.00 N ATOM 247 CA ASP A 19 0.134 1.169 -10.542 1.00 0.00 C ATOM 248 C ASP A 19 0.222 1.743 -9.132 1.00 0.00 C ATOM 249 O ASP A 19 -0.584 2.589 -8.743 1.00 0.00 O ATOM 250 CB ASP A 19 -0.618 -0.163 -10.518 1.00 0.00 C ATOM 251 CG ASP A 19 -1.093 -0.585 -11.894 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.319 -0.430 -12.863 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.238 -1.071 -12.004 1.00 0.00 O ATOM 0 H ASP A 19 1.669 0.036 -11.411 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.412 1.874 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.032 -0.936 -10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.476 -0.081 -9.850 1.00 0.00 H new ATOM 258 N PHE A 20 1.205 1.277 -8.369 1.00 0.00 N ATOM 259 CA PHE A 20 1.398 1.742 -7.000 1.00 0.00 C ATOM 260 C PHE A 20 1.766 3.223 -6.976 1.00 0.00 C ATOM 261 O PHE A 20 1.133 4.019 -6.283 1.00 0.00 O ATOM 262 CB PHE A 20 2.489 0.922 -6.309 1.00 0.00 C ATOM 263 CG PHE A 20 2.592 1.185 -4.833 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.162 2.356 -4.363 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.118 0.260 -3.917 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.258 2.601 -3.006 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.211 0.499 -2.559 1.00 0.00 C ATOM 268 CZ PHE A 20 2.783 1.671 -2.103 1.00 0.00 C ATOM 0 H PHE A 20 1.881 0.577 -8.676 1.00 0.00 H new ATOM 0 HA PHE A 20 0.459 1.610 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.292 -0.138 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.449 1.141 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.536 3.087 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.671 -0.658 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.704 3.519 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.837 -0.230 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.858 1.859 -1.042 1.00 0.00 H new ATOM 278 N GLU A 21 2.795 3.583 -7.738 1.00 0.00 N ATOM 279 CA GLU A 21 3.249 4.967 -7.802 1.00 0.00 C ATOM 280 C GLU A 21 2.098 5.900 -8.169 1.00 0.00 C ATOM 281 O GLU A 21 2.167 7.107 -7.942 1.00 0.00 O ATOM 282 CB GLU A 21 4.380 5.109 -8.822 1.00 0.00 C ATOM 283 CG GLU A 21 5.764 4.903 -8.229 1.00 0.00 C ATOM 284 CD GLU A 21 6.870 5.383 -9.148 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.732 6.485 -9.719 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.874 4.655 -9.297 1.00 0.00 O ATOM 0 H GLU A 21 3.329 2.936 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 21 3.621 5.247 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.227 4.388 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.330 6.101 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.831 5.433 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.909 3.844 -8.014 1.00 0.00 H new ATOM 293 N ASN A 22 1.041 5.331 -8.739 1.00 0.00 N ATOM 294 CA ASN A 22 -0.124 6.111 -9.140 1.00 0.00 C ATOM 295 C ASN A 22 -1.100 6.268 -7.977 1.00 0.00 C ATOM 296 O ASN A 22 -1.601 7.361 -7.717 1.00 0.00 O ATOM 297 CB ASN A 22 -0.828 5.445 -10.324 1.00 0.00 C ATOM 298 CG ASN A 22 -0.079 5.644 -11.628 1.00 0.00 C ATOM 299 OD1 ASN A 22 -0.011 6.755 -12.154 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.487 4.565 -12.155 1.00 0.00 N ATOM 0 H ASN A 22 0.967 4.332 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 22 0.219 7.101 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.933 4.378 -10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.835 5.852 -10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.004 4.637 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.405 3.664 -11.684 1.00 0.00 H new ATOM 307 N SER A 23 -1.363 5.167 -7.280 1.00 0.00 N ATOM 308 CA SER A 23 -2.281 5.180 -6.147 1.00 0.00 C ATOM 309 C SER A 23 -1.810 6.163 -5.079 1.00 0.00 C ATOM 310 O SER A 23 -2.567 7.027 -4.639 1.00 0.00 O ATOM 311 CB SER A 23 -2.405 3.779 -5.547 1.00 0.00 C ATOM 312 OG SER A 23 -3.201 2.941 -6.368 1.00 0.00 O ATOM 0 H SER A 23 -0.953 4.255 -7.480 1.00 0.00 H new ATOM 0 HA SER A 23 -3.259 5.501 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.414 3.342 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.846 3.844 -4.552 1.00 0.00 H new ATOM 0 HG SER A 23 -4.099 3.324 -6.453 1.00 0.00 H new ATOM 318 N MET A 24 -0.554 6.023 -4.667 1.00 0.00 N ATOM 319 CA MET A 24 0.019 6.899 -3.652 1.00 0.00 C ATOM 320 C MET A 24 -0.156 8.364 -4.037 1.00 0.00 C ATOM 321 O MET A 24 -0.385 9.217 -3.180 1.00 0.00 O ATOM 322 CB MET A 24 1.503 6.584 -3.455 1.00 0.00 C ATOM 323 CG MET A 24 2.291 6.533 -4.754 1.00 0.00 C ATOM 324 SD MET A 24 4.013 7.024 -4.541 1.00 0.00 S ATOM 325 CE MET A 24 4.210 8.168 -5.906 1.00 0.00 C ATOM 0 H MET A 24 0.086 5.312 -5.020 1.00 0.00 H new ATOM 0 HA MET A 24 -0.509 6.723 -2.715 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.943 7.338 -2.802 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.598 5.626 -2.944 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.253 5.521 -5.158 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.819 7.187 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.023 8.860 -5.686 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.442 7.613 -6.815 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.285 8.727 -6.048 1.00 0.00 H new ATOM 335 N ASN A 25 -0.044 8.649 -5.330 1.00 0.00 N ATOM 336 CA ASN A 25 -0.189 10.013 -5.828 1.00 0.00 C ATOM 337 C ASN A 25 -1.594 10.543 -5.562 1.00 0.00 C ATOM 338 O ASN A 25 -1.764 11.644 -5.040 1.00 0.00 O ATOM 339 CB ASN A 25 0.113 10.065 -7.327 1.00 0.00 C ATOM 340 CG ASN A 25 0.119 11.483 -7.866 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.081 12.449 -7.104 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.166 11.613 -9.187 1.00 0.00 N ATOM 0 H ASN A 25 0.147 7.954 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 25 0.524 10.645 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.082 9.603 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.631 9.477 -7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.172 12.542 -9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.196 10.784 -9.780 1.00 0.00 H new ATOM 349 N GLN A 26 -2.598 9.750 -5.924 1.00 0.00 N ATOM 350 CA GLN A 26 -3.989 10.140 -5.724 1.00 0.00 C ATOM 351 C GLN A 26 -4.234 10.562 -4.279 1.00 0.00 C ATOM 352 O GLN A 26 -4.836 11.605 -4.020 1.00 0.00 O ATOM 353 CB GLN A 26 -4.922 8.986 -6.096 1.00 0.00 C ATOM 354 CG GLN A 26 -4.818 8.565 -7.552 1.00 0.00 C ATOM 355 CD GLN A 26 -5.784 7.451 -7.908 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.391 6.292 -8.043 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.057 7.798 -8.062 1.00 0.00 N ATOM 0 H GLN A 26 -2.474 8.835 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.198 10.991 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.697 8.129 -5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.950 9.278 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.012 9.427 -8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.799 8.238 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.339 8.771 -7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.753 7.092 -8.302 1.00 0.00 H new ATOM 366 N VAL A 27 -3.764 9.746 -3.341 1.00 0.00 N ATOM 367 CA VAL A 27 -3.931 10.036 -1.922 1.00 0.00 C ATOM 368 C VAL A 27 -3.374 11.411 -1.572 1.00 0.00 C ATOM 369 O VAL A 27 -3.770 12.019 -0.578 1.00 0.00 O ATOM 370 CB VAL A 27 -3.237 8.975 -1.047 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.418 9.298 0.428 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.771 7.587 -1.367 1.00 0.00 C ATOM 0 H VAL A 27 -3.265 8.879 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.002 10.019 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.170 8.988 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.921 8.538 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.982 10.274 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.481 9.315 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.269 6.851 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.844 7.557 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.583 7.358 -2.416 1.00 0.00 H new ATOM 382 N LYS A 28 -2.453 11.897 -2.397 1.00 0.00 N ATOM 383 CA LYS A 28 -1.841 13.202 -2.177 1.00 0.00 C ATOM 384 C LYS A 28 -2.617 14.296 -2.904 1.00 0.00 C ATOM 385 O LYS A 28 -2.517 15.475 -2.561 1.00 0.00 O ATOM 386 CB LYS A 28 -0.386 13.193 -2.653 1.00 0.00 C ATOM 387 CG LYS A 28 0.522 12.308 -1.817 1.00 0.00 C ATOM 388 CD LYS A 28 1.957 12.805 -1.836 1.00 0.00 C ATOM 389 CE LYS A 28 2.565 12.698 -3.226 1.00 0.00 C ATOM 390 NZ LYS A 28 3.074 11.326 -3.505 1.00 0.00 N ATOM 0 H LYS A 28 -2.114 11.407 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.866 13.411 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.354 12.856 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.001 14.213 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.159 12.281 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.485 11.287 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.988 13.842 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.553 12.226 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.816 12.966 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.381 13.414 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.480 11.294 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.807 11.079 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.291 10.645 -3.439 1.00 0.00 H new ATOM 404 N LEU A 29 -3.392 13.899 -3.907 1.00 0.00 N ATOM 405 CA LEU A 29 -4.188 14.845 -4.681 1.00 0.00 C ATOM 406 C LEU A 29 -5.352 15.381 -3.854 1.00 0.00 C ATOM 407 O LEU A 29 -5.582 16.590 -3.795 1.00 0.00 O ATOM 408 CB LEU A 29 -4.714 14.179 -5.953 1.00 0.00 C ATOM 409 CG LEU A 29 -3.815 14.282 -7.186 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.350 14.306 -6.777 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.085 13.128 -8.140 1.00 0.00 C ATOM 0 H LEU A 29 -3.486 12.928 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.546 15.682 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.887 13.124 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.681 14.618 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.043 15.215 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.725 14.380 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.166 15.166 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.108 13.390 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.437 13.217 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.885 12.183 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.127 13.155 -8.459 1.00 0.00 H new ATOM 423 N LEU A 30 -6.084 14.475 -3.216 1.00 0.00 N ATOM 424 CA LEU A 30 -7.225 14.856 -2.390 1.00 0.00 C ATOM 425 C LEU A 30 -6.926 16.128 -1.603 1.00 0.00 C ATOM 426 O LEU A 30 -5.790 16.365 -1.192 1.00 0.00 O ATOM 427 CB LEU A 30 -7.587 13.721 -1.430 1.00 0.00 C ATOM 428 CG LEU A 30 -6.465 13.236 -0.511 1.00 0.00 C ATOM 429 CD1 LEU A 30 -6.340 14.144 0.703 1.00 0.00 C ATOM 430 CD2 LEU A 30 -6.712 11.798 -0.081 1.00 0.00 C ATOM 0 H LEU A 30 -5.908 13.471 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.071 15.049 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.421 14.049 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.940 12.874 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.527 13.272 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.537 13.784 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.116 15.159 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.278 14.141 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.904 11.470 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.659 11.736 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.750 11.156 -0.961 1.00 0.00 H new ATOM 442 N LYS A 31 -7.954 16.943 -1.393 1.00 0.00 N ATOM 443 CA LYS A 31 -7.804 18.189 -0.652 1.00 0.00 C ATOM 444 C LYS A 31 -8.615 18.155 0.640 1.00 0.00 C ATOM 445 O LYS A 31 -8.877 19.193 1.249 1.00 0.00 O ATOM 446 CB LYS A 31 -8.246 19.375 -1.512 1.00 0.00 C ATOM 447 CG LYS A 31 -7.559 20.680 -1.148 1.00 0.00 C ATOM 448 CD LYS A 31 -6.105 20.687 -1.588 1.00 0.00 C ATOM 449 CE LYS A 31 -5.314 21.778 -0.883 1.00 0.00 C ATOM 450 NZ LYS A 31 -5.062 21.445 0.546 1.00 0.00 N ATOM 0 H LYS A 31 -8.901 16.762 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.751 18.306 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.045 19.148 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.324 19.502 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.085 21.512 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.615 20.833 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.656 19.717 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.051 20.836 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.363 21.925 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.859 22.720 -0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.320 22.069 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.937 21.578 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.753 20.455 0.622 1.00 0.00 H new ATOM 464 N LYS A 32 -9.010 16.956 1.054 1.00 0.00 N ATOM 465 CA LYS A 32 -9.789 16.785 2.274 1.00 0.00 C ATOM 466 C LYS A 32 -9.089 15.832 3.238 1.00 0.00 C ATOM 467 O LYS A 32 -8.126 15.159 2.870 1.00 0.00 O ATOM 468 CB LYS A 32 -11.187 16.257 1.942 1.00 0.00 C ATOM 469 CG LYS A 32 -11.181 14.867 1.330 1.00 0.00 C ATOM 470 CD LYS A 32 -11.066 14.924 -0.184 1.00 0.00 C ATOM 471 CE LYS A 32 -12.435 14.966 -0.846 1.00 0.00 C ATOM 472 NZ LYS A 32 -13.037 16.327 -0.791 1.00 0.00 N ATOM 0 H LYS A 32 -8.803 16.087 0.561 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.880 17.758 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.786 16.242 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.673 16.947 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.349 14.293 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.096 14.343 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.494 15.805 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.515 14.054 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.345 14.650 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.099 14.255 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.765 16.414 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.470 16.478 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.297 17.041 -0.949 1.00 0.00 H new ATOM 486 N ASP A 33 -9.580 15.779 4.471 1.00 0.00 N ATOM 487 CA ASP A 33 -9.003 14.906 5.487 1.00 0.00 C ATOM 488 C ASP A 33 -9.962 13.772 5.837 1.00 0.00 C ATOM 489 O ASP A 33 -10.929 13.951 6.578 1.00 0.00 O ATOM 490 CB ASP A 33 -8.660 15.707 6.743 1.00 0.00 C ATOM 491 CG ASP A 33 -7.515 15.095 7.526 1.00 0.00 C ATOM 492 OD1 ASP A 33 -7.637 13.921 7.936 1.00 0.00 O ATOM 493 OD2 ASP A 33 -6.497 15.788 7.727 1.00 0.00 O ATOM 0 H ASP A 33 -10.376 16.330 4.791 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.089 14.472 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.398 16.727 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.541 15.770 7.382 1.00 0.00 H new ATOM 498 N PRO A 34 -9.690 12.577 5.293 1.00 0.00 N ATOM 499 CA PRO A 34 -10.517 11.391 5.533 1.00 0.00 C ATOM 500 C PRO A 34 -10.392 10.877 6.964 1.00 0.00 C ATOM 501 O PRO A 34 -11.335 10.311 7.515 1.00 0.00 O ATOM 502 CB PRO A 34 -9.960 10.363 4.545 1.00 0.00 C ATOM 503 CG PRO A 34 -8.552 10.790 4.308 1.00 0.00 C ATOM 504 CD PRO A 34 -8.554 12.291 4.401 1.00 0.00 C ATOM 0 HA PRO A 34 -11.578 11.600 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.004 9.354 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.533 10.354 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.882 10.354 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.203 10.460 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.617 12.669 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.685 12.754 3.423 1.00 0.00 H new ATOM 512 N GLY A 35 -9.221 11.080 7.560 1.00 0.00 N ATOM 513 CA GLY A 35 -8.995 10.631 8.921 1.00 0.00 C ATOM 514 C GLY A 35 -7.692 9.870 9.072 1.00 0.00 C ATOM 515 O GLY A 35 -7.230 9.225 8.132 1.00 0.00 O ATOM 0 H GLY A 35 -8.425 11.547 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.988 11.493 9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.823 9.994 9.232 1.00 0.00 H new ATOM 519 N ASN A 36 -7.098 9.946 10.259 1.00 0.00 N ATOM 520 CA ASN A 36 -5.840 9.261 10.529 1.00 0.00 C ATOM 521 C ASN A 36 -5.993 7.753 10.355 1.00 0.00 C ATOM 522 O ASN A 36 -5.006 7.028 10.240 1.00 0.00 O ATOM 523 CB ASN A 36 -5.357 9.575 11.946 1.00 0.00 C ATOM 524 CG ASN A 36 -4.529 10.845 12.006 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.066 11.942 12.157 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.215 10.700 11.889 1.00 0.00 N ATOM 0 H ASN A 36 -7.468 10.475 11.049 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.100 9.619 9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.218 9.674 12.607 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.764 8.740 12.318 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.607 11.518 11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.813 9.771 11.765 1.00 0.00 H new ATOM 533 N GLU A 37 -7.239 7.289 10.336 1.00 0.00 N ATOM 534 CA GLU A 37 -7.521 5.867 10.176 1.00 0.00 C ATOM 535 C GLU A 37 -6.980 5.351 8.847 1.00 0.00 C ATOM 536 O GLU A 37 -6.371 4.282 8.784 1.00 0.00 O ATOM 537 CB GLU A 37 -9.028 5.611 10.260 1.00 0.00 C ATOM 538 CG GLU A 37 -9.768 5.905 8.966 1.00 0.00 C ATOM 539 CD GLU A 37 -11.249 5.597 9.058 1.00 0.00 C ATOM 540 OE1 GLU A 37 -11.607 4.400 9.057 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.051 6.551 9.131 1.00 0.00 O ATOM 0 H GLU A 37 -8.068 7.876 10.429 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.023 5.331 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.196 4.570 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.448 6.225 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.635 6.955 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.328 5.319 8.159 1.00 0.00 H new ATOM 548 N VAL A 38 -7.206 6.117 7.784 1.00 0.00 N ATOM 549 CA VAL A 38 -6.741 5.738 6.455 1.00 0.00 C ATOM 550 C VAL A 38 -5.273 6.102 6.263 1.00 0.00 C ATOM 551 O VAL A 38 -4.504 5.338 5.679 1.00 0.00 O ATOM 552 CB VAL A 38 -7.576 6.418 5.354 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.722 7.906 5.636 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.946 6.185 3.989 1.00 0.00 C ATOM 0 H VAL A 38 -7.708 7.004 7.818 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.858 4.657 6.374 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.572 5.974 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.315 8.369 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.220 8.047 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.736 8.369 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.548 6.672 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.939 6.601 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.899 5.115 3.788 1.00 0.00 H new ATOM 564 N LYS A 39 -4.890 7.273 6.758 1.00 0.00 N ATOM 565 CA LYS A 39 -3.513 7.740 6.643 1.00 0.00 C ATOM 566 C LYS A 39 -2.537 6.684 7.151 1.00 0.00 C ATOM 567 O LYS A 39 -1.348 6.715 6.828 1.00 0.00 O ATOM 568 CB LYS A 39 -3.326 9.041 7.426 1.00 0.00 C ATOM 569 CG LYS A 39 -3.675 10.286 6.628 1.00 0.00 C ATOM 570 CD LYS A 39 -5.137 10.665 6.797 1.00 0.00 C ATOM 571 CE LYS A 39 -5.370 12.137 6.496 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.690 12.560 5.240 1.00 0.00 N ATOM 0 H LYS A 39 -5.514 7.917 7.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.306 7.925 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.946 9.008 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.290 9.110 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.044 11.114 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.462 10.114 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.751 10.055 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.455 10.446 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.440 12.325 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.005 12.740 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.032 13.501 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.663 12.598 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.900 11.877 4.485 1.00 0.00 H new ATOM 586 N LEU A 40 -3.045 5.749 7.947 1.00 0.00 N ATOM 587 CA LEU A 40 -2.218 4.682 8.499 1.00 0.00 C ATOM 588 C LEU A 40 -2.263 3.443 7.611 1.00 0.00 C ATOM 589 O LEU A 40 -1.231 2.840 7.315 1.00 0.00 O ATOM 590 CB LEU A 40 -2.685 4.327 9.912 1.00 0.00 C ATOM 591 CG LEU A 40 -2.401 5.369 10.994 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.363 5.203 12.161 1.00 0.00 C ATOM 593 CD2 LEU A 40 -0.960 5.266 11.470 1.00 0.00 C ATOM 0 H LEU A 40 -4.026 5.708 8.224 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.189 5.039 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.759 4.146 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.212 3.390 10.205 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.550 6.360 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.146 5.953 12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.387 5.329 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.247 4.208 12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.777 6.015 12.240 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.783 4.272 11.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.286 5.436 10.630 1.00 0.00 H new ATOM 605 N LYS A 41 -3.465 3.069 7.186 1.00 0.00 N ATOM 606 CA LYS A 41 -3.645 1.904 6.327 1.00 0.00 C ATOM 607 C LYS A 41 -2.814 2.032 5.055 1.00 0.00 C ATOM 608 O LYS A 41 -2.431 1.031 4.448 1.00 0.00 O ATOM 609 CB LYS A 41 -5.123 1.734 5.969 1.00 0.00 C ATOM 610 CG LYS A 41 -5.531 2.472 4.706 1.00 0.00 C ATOM 611 CD LYS A 41 -6.974 2.178 4.329 1.00 0.00 C ATOM 612 CE LYS A 41 -7.850 2.019 5.561 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.264 1.719 5.201 1.00 0.00 N ATOM 0 H LYS A 41 -4.330 3.556 7.422 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.306 1.024 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.339 0.673 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.733 2.089 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.404 3.545 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.874 2.183 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.361 2.986 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.017 1.268 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.456 1.217 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.812 2.933 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.829 1.618 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.648 2.496 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.303 0.834 4.657 1.00 0.00 H new ATOM 627 N LEU A 42 -2.536 3.268 4.657 1.00 0.00 N ATOM 628 CA LEU A 42 -1.748 3.527 3.457 1.00 0.00 C ATOM 629 C LEU A 42 -0.259 3.348 3.735 1.00 0.00 C ATOM 630 O LEU A 42 0.509 2.981 2.845 1.00 0.00 O ATOM 631 CB LEU A 42 -2.016 4.942 2.942 1.00 0.00 C ATOM 632 CG LEU A 42 -3.132 5.079 1.905 1.00 0.00 C ATOM 633 CD1 LEU A 42 -2.876 4.160 0.721 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.484 4.777 2.534 1.00 0.00 C ATOM 0 H LEU A 42 -2.845 4.107 5.148 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.046 2.808 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.259 5.577 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.094 5.330 2.508 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.143 6.108 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.680 4.271 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.926 4.423 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.838 3.126 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.266 4.879 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.485 3.759 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.671 5.476 3.349 1.00 0.00 H new ATOM 646 N TYR A 43 0.142 3.608 4.974 1.00 0.00 N ATOM 647 CA TYR A 43 1.539 3.476 5.369 1.00 0.00 C ATOM 648 C TYR A 43 1.879 2.025 5.695 1.00 0.00 C ATOM 649 O TYR A 43 2.990 1.563 5.438 1.00 0.00 O ATOM 650 CB TYR A 43 1.835 4.364 6.579 1.00 0.00 C ATOM 651 CG TYR A 43 2.870 3.785 7.517 1.00 0.00 C ATOM 652 CD1 TYR A 43 4.222 4.050 7.339 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.496 2.972 8.580 1.00 0.00 C ATOM 654 CE1 TYR A 43 5.172 3.523 8.193 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.439 2.442 9.439 1.00 0.00 C ATOM 656 CZ TYR A 43 4.775 2.720 9.241 1.00 0.00 C ATOM 657 OH TYR A 43 5.717 2.192 10.095 1.00 0.00 O ATOM 0 H TYR A 43 -0.481 3.912 5.723 1.00 0.00 H new ATOM 0 HA TYR A 43 2.158 3.796 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.178 5.338 6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.910 4.532 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.536 4.679 6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.451 2.751 8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.219 3.739 8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.132 1.813 10.261 1.00 0.00 H new ATOM 0 HH TYR A 43 5.271 1.650 10.779 1.00 0.00 H new ATOM 667 N ALA A 44 0.911 1.310 6.261 1.00 0.00 N ATOM 668 CA ALA A 44 1.105 -0.089 6.619 1.00 0.00 C ATOM 669 C ALA A 44 1.571 -0.904 5.418 1.00 0.00 C ATOM 670 O ALA A 44 2.529 -1.673 5.510 1.00 0.00 O ATOM 671 CB ALA A 44 -0.181 -0.671 7.188 1.00 0.00 C ATOM 0 H ALA A 44 -0.015 1.677 6.481 1.00 0.00 H new ATOM 0 HA ALA A 44 1.882 -0.139 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.022 -1.717 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.470 -0.113 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.973 -0.601 6.443 1.00 0.00 H new ATOM 677 N LEU A 45 0.888 -0.732 4.291 1.00 0.00 N ATOM 678 CA LEU A 45 1.232 -1.453 3.070 1.00 0.00 C ATOM 679 C LEU A 45 2.555 -0.955 2.498 1.00 0.00 C ATOM 680 O LEU A 45 3.422 -1.748 2.129 1.00 0.00 O ATOM 681 CB LEU A 45 0.121 -1.293 2.031 1.00 0.00 C ATOM 682 CG LEU A 45 -1.119 -2.164 2.234 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.720 -3.572 2.647 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.042 -1.543 3.272 1.00 0.00 C ATOM 0 H LEU A 45 0.093 -0.100 4.197 1.00 0.00 H new ATOM 0 HA LEU A 45 1.340 -2.509 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.191 -0.249 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.537 -1.512 1.047 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.657 -2.224 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.615 -4.178 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.099 -4.017 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.159 -3.532 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.919 -2.176 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.514 -1.453 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.355 -0.555 2.936 1.00 0.00 H new ATOM 696 N TYR A 46 2.705 0.363 2.430 1.00 0.00 N ATOM 697 CA TYR A 46 3.923 0.968 1.902 1.00 0.00 C ATOM 698 C TYR A 46 5.161 0.261 2.446 1.00 0.00 C ATOM 699 O TYR A 46 5.995 -0.230 1.685 1.00 0.00 O ATOM 700 CB TYR A 46 3.974 2.455 2.257 1.00 0.00 C ATOM 701 CG TYR A 46 5.359 3.054 2.159 1.00 0.00 C ATOM 702 CD1 TYR A 46 6.026 3.113 0.942 1.00 0.00 C ATOM 703 CD2 TYR A 46 6.000 3.560 3.283 1.00 0.00 C ATOM 704 CE1 TYR A 46 7.292 3.658 0.847 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.265 4.108 3.197 1.00 0.00 C ATOM 706 CZ TYR A 46 7.907 4.155 1.977 1.00 0.00 C ATOM 707 OH TYR A 46 9.167 4.699 1.888 1.00 0.00 O ATOM 0 H TYR A 46 1.999 1.033 2.734 1.00 0.00 H new ATOM 0 HA TYR A 46 3.912 0.861 0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.303 3.001 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.600 2.591 3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.547 2.726 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.501 3.524 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.797 3.695 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.749 4.498 4.080 1.00 0.00 H new ATOM 0 HH TYR A 46 9.455 5.003 2.774 1.00 0.00 H new ATOM 717 N LYS A 47 5.274 0.214 3.769 1.00 0.00 N ATOM 718 CA LYS A 47 6.408 -0.434 4.417 1.00 0.00 C ATOM 719 C LYS A 47 6.353 -1.946 4.227 1.00 0.00 C ATOM 720 O LYS A 47 7.337 -2.646 4.465 1.00 0.00 O ATOM 721 CB LYS A 47 6.428 -0.098 5.910 1.00 0.00 C ATOM 722 CG LYS A 47 6.595 1.384 6.198 1.00 0.00 C ATOM 723 CD LYS A 47 8.035 1.830 6.006 1.00 0.00 C ATOM 724 CE LYS A 47 8.861 1.604 7.262 1.00 0.00 C ATOM 725 NZ LYS A 47 10.297 1.936 7.049 1.00 0.00 N ATOM 0 H LYS A 47 4.594 0.617 4.414 1.00 0.00 H new ATOM 0 HA LYS A 47 7.321 -0.060 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.500 -0.446 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.241 -0.646 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.944 1.959 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.281 1.595 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.479 1.283 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.057 2.887 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.464 2.215 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.771 0.563 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.883 1.376 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.562 1.716 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.450 2.949 7.230 1.00 0.00 H new ATOM 739 N GLN A 48 5.198 -2.442 3.794 1.00 0.00 N ATOM 740 CA GLN A 48 5.017 -3.872 3.571 1.00 0.00 C ATOM 741 C GLN A 48 5.456 -4.263 2.164 1.00 0.00 C ATOM 742 O GLN A 48 5.877 -5.394 1.927 1.00 0.00 O ATOM 743 CB GLN A 48 3.554 -4.262 3.789 1.00 0.00 C ATOM 744 CG GLN A 48 3.346 -5.754 3.989 1.00 0.00 C ATOM 745 CD GLN A 48 3.421 -6.164 5.446 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.185 -5.354 6.344 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.750 -7.427 5.690 1.00 0.00 N ATOM 0 H GLN A 48 4.374 -1.875 3.591 1.00 0.00 H new ATOM 0 HA GLN A 48 5.639 -4.408 4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.171 -3.730 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.967 -3.934 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.374 -6.039 3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.100 -6.301 3.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.937 -8.064 4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.816 -7.760 6.652 1.00 0.00 H new ATOM 756 N ALA A 49 5.354 -3.319 1.234 1.00 0.00 N ATOM 757 CA ALA A 49 5.742 -3.565 -0.150 1.00 0.00 C ATOM 758 C ALA A 49 7.108 -2.959 -0.453 1.00 0.00 C ATOM 759 O ALA A 49 7.536 -2.911 -1.606 1.00 0.00 O ATOM 760 CB ALA A 49 4.692 -3.006 -1.099 1.00 0.00 C ATOM 0 H ALA A 49 5.006 -2.377 1.414 1.00 0.00 H new ATOM 0 HA ALA A 49 5.812 -4.643 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.994 -3.196 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.734 -3.489 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.595 -1.932 -0.942 1.00 0.00 H new ATOM 766 N THR A 50 7.789 -2.495 0.591 1.00 0.00 N ATOM 767 CA THR A 50 9.106 -1.890 0.436 1.00 0.00 C ATOM 768 C THR A 50 10.101 -2.479 1.429 1.00 0.00 C ATOM 769 O THR A 50 11.260 -2.719 1.091 1.00 0.00 O ATOM 770 CB THR A 50 9.049 -0.363 0.628 1.00 0.00 C ATOM 771 OG1 THR A 50 8.432 -0.049 1.881 1.00 0.00 O ATOM 772 CG2 THR A 50 8.274 0.296 -0.503 1.00 0.00 C ATOM 0 H THR A 50 7.450 -2.527 1.552 1.00 0.00 H new ATOM 0 HA THR A 50 9.437 -2.109 -0.579 1.00 0.00 H new ATOM 0 HB THR A 50 10.070 0.020 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.475 0.112 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.247 1.374 -0.346 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.763 0.080 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.256 -0.093 -0.522 1.00 0.00 H new ATOM 780 N GLU A 51 9.642 -2.709 2.655 1.00 0.00 N ATOM 781 CA GLU A 51 10.494 -3.270 3.696 1.00 0.00 C ATOM 782 C GLU A 51 10.083 -4.703 4.023 1.00 0.00 C ATOM 783 O GLU A 51 10.928 -5.560 4.278 1.00 0.00 O ATOM 784 CB GLU A 51 10.427 -2.409 4.959 1.00 0.00 C ATOM 785 CG GLU A 51 10.629 -0.926 4.696 1.00 0.00 C ATOM 786 CD GLU A 51 12.090 -0.559 4.516 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.738 -1.126 3.612 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.584 0.296 5.280 1.00 0.00 O ATOM 0 H GLU A 51 8.685 -2.516 2.951 1.00 0.00 H new ATOM 0 HA GLU A 51 11.519 -3.280 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.459 -2.556 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.186 -2.751 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.074 -0.640 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.214 -0.354 5.526 1.00 0.00 H new ATOM 795 N GLY A 52 8.777 -4.955 4.012 1.00 0.00 N ATOM 796 CA GLY A 52 8.276 -6.284 4.309 1.00 0.00 C ATOM 797 C GLY A 52 7.412 -6.313 5.555 1.00 0.00 C ATOM 798 O GLY A 52 6.779 -5.323 5.921 1.00 0.00 O ATOM 0 H GLY A 52 8.058 -4.263 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.697 -6.649 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.117 -6.966 4.438 1.00 0.00 H new ATOM 802 N PRO A 53 7.377 -7.473 6.228 1.00 0.00 N ATOM 803 CA PRO A 53 6.587 -7.655 7.449 1.00 0.00 C ATOM 804 C PRO A 53 7.155 -6.874 8.629 1.00 0.00 C ATOM 805 O PRO A 53 8.372 -6.785 8.799 1.00 0.00 O ATOM 806 CB PRO A 53 6.680 -9.161 7.710 1.00 0.00 C ATOM 807 CG PRO A 53 7.950 -9.581 7.054 1.00 0.00 C ATOM 808 CD PRO A 53 8.107 -8.695 5.850 1.00 0.00 C ATOM 0 HA PRO A 53 5.566 -7.291 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.696 -9.378 8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.824 -9.689 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.795 -9.470 7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.910 -10.631 6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.156 -8.487 5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.686 -9.154 4.956 1.00 0.00 H new ATOM 816 N CYS A 54 6.268 -6.311 9.442 1.00 0.00 N ATOM 817 CA CYS A 54 6.681 -5.537 10.607 1.00 0.00 C ATOM 818 C CYS A 54 7.768 -6.269 11.388 1.00 0.00 C ATOM 819 O CYS A 54 7.492 -7.234 12.098 1.00 0.00 O ATOM 820 CB CYS A 54 5.482 -5.261 11.514 1.00 0.00 C ATOM 821 SG CYS A 54 5.920 -4.581 13.131 1.00 0.00 S ATOM 0 H CYS A 54 5.258 -6.376 9.316 1.00 0.00 H new ATOM 0 HA CYS A 54 7.087 -4.588 10.257 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.811 -4.566 11.009 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.929 -6.189 11.660 1.00 0.00 H new ATOM 0 HG CYS A 54 5.044 -3.685 13.477 1.00 0.00 H new ATOM 827 N ASN A 55 9.005 -5.802 11.251 1.00 0.00 N ATOM 828 CA ASN A 55 10.134 -6.413 11.942 1.00 0.00 C ATOM 829 C ASN A 55 10.780 -5.425 12.908 1.00 0.00 C ATOM 830 O ASN A 55 11.918 -5.615 13.337 1.00 0.00 O ATOM 831 CB ASN A 55 11.170 -6.908 10.932 1.00 0.00 C ATOM 832 CG ASN A 55 11.892 -5.769 10.239 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.009 -5.409 10.612 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.255 -5.195 9.224 1.00 0.00 N ATOM 0 H ASN A 55 9.251 -5.002 10.668 1.00 0.00 H new ATOM 0 HA ASN A 55 9.761 -7.262 12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.898 -7.539 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.677 -7.530 10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.691 -4.423 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.330 -5.526 8.949 1.00 0.00 H new ATOM 841 N MET A 56 10.046 -4.370 13.246 1.00 0.00 N ATOM 842 CA MET A 56 10.547 -3.353 14.163 1.00 0.00 C ATOM 843 C MET A 56 10.043 -3.603 15.581 1.00 0.00 C ATOM 844 O MET A 56 9.014 -4.245 15.796 1.00 0.00 O ATOM 845 CB MET A 56 10.120 -1.960 13.696 1.00 0.00 C ATOM 846 CG MET A 56 8.668 -1.886 13.253 1.00 0.00 C ATOM 847 SD MET A 56 8.148 -0.206 12.855 1.00 0.00 S ATOM 848 CE MET A 56 8.643 0.663 14.341 1.00 0.00 C ATOM 0 H MET A 56 9.103 -4.197 12.899 1.00 0.00 H new ATOM 0 HA MET A 56 11.636 -3.409 14.168 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.281 -1.249 14.506 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.760 -1.651 12.869 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.526 -2.523 12.380 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.030 -2.282 14.043 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.008 1.538 14.480 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.541 0.001 15.201 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.682 0.980 14.248 1.00 0.00 H new ATOM 858 N PRO A 57 10.783 -3.085 16.573 1.00 0.00 N ATOM 859 CA PRO A 57 10.429 -3.239 17.987 1.00 0.00 C ATOM 860 C PRO A 57 9.187 -2.440 18.365 1.00 0.00 C ATOM 861 O PRO A 57 9.046 -1.276 17.988 1.00 0.00 O ATOM 862 CB PRO A 57 11.658 -2.696 18.721 1.00 0.00 C ATOM 863 CG PRO A 57 12.284 -1.746 17.759 1.00 0.00 C ATOM 864 CD PRO A 57 12.020 -2.309 16.390 1.00 0.00 C ATOM 0 HA PRO A 57 10.188 -4.272 18.236 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.377 -2.194 19.647 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.345 -3.498 18.989 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.855 -0.749 17.860 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.354 -1.653 17.943 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.893 -1.520 15.649 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.842 -2.938 16.049 1.00 0.00 H new ATOM 872 N LYS A 58 8.287 -3.072 19.111 1.00 0.00 N ATOM 873 CA LYS A 58 7.056 -2.420 19.542 1.00 0.00 C ATOM 874 C LYS A 58 7.360 -1.148 20.329 1.00 0.00 C ATOM 875 O LYS A 58 8.056 -1.170 21.344 1.00 0.00 O ATOM 876 CB LYS A 58 6.222 -3.375 20.399 1.00 0.00 C ATOM 877 CG LYS A 58 4.794 -2.905 20.619 1.00 0.00 C ATOM 878 CD LYS A 58 3.865 -4.067 20.926 1.00 0.00 C ATOM 879 CE LYS A 58 2.559 -3.590 21.540 1.00 0.00 C ATOM 880 NZ LYS A 58 2.755 -3.061 22.919 1.00 0.00 N ATOM 0 H LYS A 58 8.387 -4.036 19.430 1.00 0.00 H new ATOM 0 HA LYS A 58 6.488 -2.149 18.652 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.204 -4.355 19.923 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.708 -3.500 21.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.768 -2.190 21.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.442 -2.381 19.730 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.657 -4.619 20.010 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.359 -4.758 21.610 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.125 -2.813 20.911 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.847 -4.415 21.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.841 -2.746 23.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.146 -3.810 23.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.415 -2.258 22.892 1.00 0.00 H new ATOM 894 N PRO A 59 6.826 -0.014 19.851 1.00 0.00 N ATOM 895 CA PRO A 59 7.026 1.287 20.496 1.00 0.00 C ATOM 896 C PRO A 59 6.296 1.390 21.831 1.00 0.00 C ATOM 897 O PRO A 59 5.370 0.628 22.104 1.00 0.00 O ATOM 898 CB PRO A 59 6.437 2.277 19.487 1.00 0.00 C ATOM 899 CG PRO A 59 5.439 1.483 18.717 1.00 0.00 C ATOM 900 CD PRO A 59 5.987 0.085 18.646 1.00 0.00 C ATOM 0 HA PRO A 59 8.075 1.469 20.730 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.968 3.123 19.990 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.209 2.683 18.834 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.466 1.496 19.209 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.297 1.897 17.719 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.191 -0.659 18.649 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.568 -0.073 17.738 1.00 0.00 H new ATOM 908 N GLY A 60 6.720 2.339 22.661 1.00 0.00 N ATOM 909 CA GLY A 60 6.095 2.525 23.957 1.00 0.00 C ATOM 910 C GLY A 60 4.791 3.292 23.868 1.00 0.00 C ATOM 911 O GLY A 60 4.533 3.980 22.880 1.00 0.00 O ATOM 0 H GLY A 60 7.485 2.982 22.458 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.910 1.551 24.410 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.782 3.058 24.615 1.00 0.00 H new ATOM 915 N VAL A 61 3.964 3.173 24.902 1.00 0.00 N ATOM 916 CA VAL A 61 2.679 3.861 24.936 1.00 0.00 C ATOM 917 C VAL A 61 2.848 5.355 24.685 1.00 0.00 C ATOM 918 O VAL A 61 2.173 5.932 23.832 1.00 0.00 O ATOM 919 CB VAL A 61 1.968 3.656 26.287 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.433 2.236 26.400 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.912 3.971 27.438 1.00 0.00 C ATOM 0 H VAL A 61 4.161 2.607 25.727 1.00 0.00 H new ATOM 0 HA VAL A 61 2.068 3.429 24.143 1.00 0.00 H new ATOM 0 HB VAL A 61 1.123 4.342 26.341 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.934 2.111 27.361 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.722 2.050 25.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.259 1.529 26.325 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.394 3.821 28.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.778 3.311 27.390 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.242 5.007 27.365 1.00 0.00 H new ATOM 931 N PHE A 62 3.754 5.976 25.433 1.00 0.00 N ATOM 932 CA PHE A 62 4.012 7.404 25.292 1.00 0.00 C ATOM 933 C PHE A 62 4.223 7.777 23.827 1.00 0.00 C ATOM 934 O PHE A 62 4.043 8.931 23.437 1.00 0.00 O ATOM 935 CB PHE A 62 5.239 7.806 26.114 1.00 0.00 C ATOM 936 CG PHE A 62 4.940 8.025 27.569 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.758 6.949 28.423 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.839 9.308 28.084 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.484 7.147 29.763 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.565 9.512 29.423 1.00 0.00 C ATOM 941 CZ PHE A 62 4.386 8.431 30.263 1.00 0.00 C ATOM 0 H PHE A 62 4.322 5.513 26.143 1.00 0.00 H new ATOM 0 HA PHE A 62 3.141 7.943 25.664 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.999 7.030 26.020 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.663 8.720 25.697 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.831 5.943 28.037 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.976 10.158 27.431 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.347 6.299 30.418 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.491 10.517 29.812 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.170 8.589 31.309 1.00 0.00 H new ATOM 951 N ASP A 63 4.606 6.792 23.022 1.00 0.00 N ATOM 952 CA ASP A 63 4.841 7.015 21.600 1.00 0.00 C ATOM 953 C ASP A 63 3.597 6.680 20.784 1.00 0.00 C ATOM 954 O ASP A 63 3.547 5.657 20.099 1.00 0.00 O ATOM 955 CB ASP A 63 6.024 6.173 21.119 1.00 0.00 C ATOM 956 CG ASP A 63 7.346 6.902 21.255 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.446 7.795 22.123 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.282 6.579 20.494 1.00 0.00 O ATOM 0 H ASP A 63 4.760 5.832 23.330 1.00 0.00 H new ATOM 0 HA ASP A 63 5.074 8.070 21.457 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.063 5.246 21.691 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.870 5.897 20.076 1.00 0.00 H new ATOM 963 N LEU A 64 2.593 7.546 20.863 1.00 0.00 N ATOM 964 CA LEU A 64 1.347 7.341 20.132 1.00 0.00 C ATOM 965 C LEU A 64 1.583 7.393 18.627 1.00 0.00 C ATOM 966 O LEU A 64 0.954 6.658 17.864 1.00 0.00 O ATOM 967 CB LEU A 64 0.317 8.399 20.535 1.00 0.00 C ATOM 968 CG LEU A 64 0.285 8.775 22.017 1.00 0.00 C ATOM 969 CD1 LEU A 64 -0.808 9.798 22.284 1.00 0.00 C ATOM 970 CD2 LEU A 64 0.081 7.536 22.877 1.00 0.00 C ATOM 0 H LEU A 64 2.617 8.397 21.426 1.00 0.00 H new ATOM 0 HA LEU A 64 0.964 6.353 20.387 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.508 9.302 19.956 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.672 8.041 20.250 1.00 0.00 H new ATOM 0 HG LEU A 64 1.244 9.221 22.280 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.816 10.054 23.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.618 10.696 21.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.775 9.379 22.005 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.061 7.822 23.929 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.863 7.061 22.612 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.899 6.836 22.707 1.00 0.00 H new ATOM 982 N ILE A 65 2.495 8.263 18.206 1.00 0.00 N ATOM 983 CA ILE A 65 2.817 8.407 16.792 1.00 0.00 C ATOM 984 C ILE A 65 3.352 7.102 16.213 1.00 0.00 C ATOM 985 O ILE A 65 2.886 6.633 15.176 1.00 0.00 O ATOM 986 CB ILE A 65 3.856 9.521 16.562 1.00 0.00 C ATOM 987 CG1 ILE A 65 3.377 10.832 17.188 1.00 0.00 C ATOM 988 CG2 ILE A 65 4.117 9.702 15.074 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.010 11.268 16.706 1.00 0.00 C ATOM 0 H ILE A 65 3.024 8.879 18.824 1.00 0.00 H new ATOM 0 HA ILE A 65 1.890 8.674 16.284 1.00 0.00 H new ATOM 0 HB ILE A 65 4.791 9.231 17.042 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.352 10.720 18.272 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.099 11.617 16.965 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.853 10.492 14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.497 8.770 14.655 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.188 9.973 14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.735 12.204 17.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.034 11.412 15.626 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.275 10.502 16.953 1.00 0.00 H new ATOM 1001 N ASN A 66 4.333 6.517 16.894 1.00 0.00 N ATOM 1002 CA ASN A 66 4.931 5.264 16.449 1.00 0.00 C ATOM 1003 C ASN A 66 3.982 4.093 16.687 1.00 0.00 C ATOM 1004 O ASN A 66 3.864 3.195 15.853 1.00 0.00 O ATOM 1005 CB ASN A 66 6.254 5.019 17.178 1.00 0.00 C ATOM 1006 CG ASN A 66 7.309 6.049 16.823 1.00 0.00 C ATOM 1007 OD1 ASN A 66 8.106 5.847 15.906 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.319 7.160 17.550 1.00 0.00 N ATOM 0 H ASN A 66 4.730 6.891 17.756 1.00 0.00 H new ATOM 0 HA ASN A 66 5.122 5.342 15.379 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.081 5.036 18.254 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.624 4.024 16.930 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.006 7.889 17.358 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.639 7.285 18.300 1.00 0.00 H new ATOM 1015 N LYS A 67 3.305 4.111 17.830 1.00 0.00 N ATOM 1016 CA LYS A 67 2.364 3.053 18.179 1.00 0.00 C ATOM 1017 C LYS A 67 1.244 2.960 17.149 1.00 0.00 C ATOM 1018 O LYS A 67 0.848 1.867 16.745 1.00 0.00 O ATOM 1019 CB LYS A 67 1.774 3.305 19.569 1.00 0.00 C ATOM 1020 CG LYS A 67 1.192 2.060 20.217 1.00 0.00 C ATOM 1021 CD LYS A 67 2.261 1.010 20.468 1.00 0.00 C ATOM 1022 CE LYS A 67 1.847 0.046 21.569 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.532 -0.591 21.284 1.00 0.00 N ATOM 0 H LYS A 67 3.390 4.847 18.531 1.00 0.00 H new ATOM 0 HA LYS A 67 2.906 2.107 18.187 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.551 3.712 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.994 4.063 19.492 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.716 2.328 21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.416 1.644 19.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.450 0.455 19.549 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.195 1.499 20.743 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.608 -0.726 21.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.794 0.580 22.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.356 -1.349 21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.222 0.122 21.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.541 -0.992 20.325 1.00 0.00 H new ATOM 1037 N ALA A 68 0.737 4.114 16.726 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.335 4.162 15.740 1.00 0.00 C ATOM 1039 C ALA A 68 0.063 3.435 14.460 1.00 0.00 C ATOM 1040 O ALA A 68 -0.720 2.668 13.900 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.707 5.606 15.435 1.00 0.00 C ATOM 0 H ALA A 68 1.052 5.028 17.051 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.204 3.655 16.160 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.509 5.627 14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.042 6.096 16.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.163 6.130 15.040 1.00 0.00 H new ATOM 1047 N LYS A 69 1.285 3.681 14.001 1.00 0.00 N ATOM 1048 CA LYS A 69 1.789 3.050 12.787 1.00 0.00 C ATOM 1049 C LYS A 69 2.080 1.572 13.023 1.00 0.00 C ATOM 1050 O LYS A 69 1.610 0.711 12.279 1.00 0.00 O ATOM 1051 CB LYS A 69 3.057 3.760 12.306 1.00 0.00 C ATOM 1052 CG LYS A 69 2.786 4.905 11.345 1.00 0.00 C ATOM 1053 CD LYS A 69 2.552 6.211 12.085 1.00 0.00 C ATOM 1054 CE LYS A 69 2.218 7.343 11.126 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.444 7.987 10.578 1.00 0.00 N ATOM 0 H LYS A 69 1.946 4.314 14.452 1.00 0.00 H new ATOM 0 HA LYS A 69 1.020 3.133 12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.599 4.143 13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.707 3.034 11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.630 5.018 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.914 4.670 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.738 6.085 12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.442 6.470 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.613 6.957 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.615 8.090 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.173 8.753 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.009 8.378 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.007 7.280 10.063 1.00 0.00 H new ATOM 1069 N TRP A 70 2.855 1.285 14.062 1.00 0.00 N ATOM 1070 CA TRP A 70 3.206 -0.091 14.396 1.00 0.00 C ATOM 1071 C TRP A 70 2.000 -1.012 14.252 1.00 0.00 C ATOM 1072 O TRP A 70 2.101 -2.099 13.683 1.00 0.00 O ATOM 1073 CB TRP A 70 3.754 -0.167 15.822 1.00 0.00 C ATOM 1074 CG TRP A 70 4.543 -1.413 16.090 1.00 0.00 C ATOM 1075 CD1 TRP A 70 5.865 -1.620 15.819 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.058 -2.624 16.680 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.232 -2.887 16.205 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.141 -3.523 16.736 1.00 0.00 C ATOM 1079 CE3 TRP A 70 2.815 -3.036 17.167 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.016 -4.807 17.259 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 2.692 -4.311 17.686 1.00 0.00 C ATOM 1082 CH2 TRP A 70 3.788 -5.184 17.729 1.00 0.00 C ATOM 0 H TRP A 70 3.252 1.986 14.688 1.00 0.00 H new ATOM 0 HA TRP A 70 3.976 -0.422 13.700 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.386 0.701 16.007 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.924 -0.113 16.526 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.526 -0.895 15.368 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.165 -3.288 16.111 1.00 0.00 H new ATOM 0 HE3 TRP A 70 1.965 -2.370 17.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 5.859 -5.482 17.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.736 -4.640 18.065 1.00 0.00 H new ATOM 0 HH2 TRP A 70 3.660 -6.174 18.141 1.00 0.00 H new ATOM 1093 N ASP A 71 0.859 -0.570 14.771 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.368 -1.355 14.699 1.00 0.00 C ATOM 1095 C ASP A 71 -0.858 -1.466 13.258 1.00 0.00 C ATOM 1096 O ASP A 71 -1.478 -2.459 12.878 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.454 -0.725 15.572 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.315 -1.106 17.033 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.315 -2.318 17.333 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.206 -0.192 17.877 1.00 0.00 O ATOM 0 H ASP A 71 0.759 0.327 15.246 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.151 -2.357 15.069 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.409 0.360 15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.434 -1.037 15.210 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.576 -0.440 12.462 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.987 -0.423 11.063 1.00 0.00 C ATOM 1107 C ALA A 72 -0.123 -1.360 10.226 1.00 0.00 C ATOM 1108 O ALA A 72 -0.636 -2.145 9.429 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.921 0.993 10.511 1.00 0.00 C ATOM 0 H ALA A 72 -0.065 0.390 12.762 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.017 -0.775 11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.230 0.991 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.586 1.639 11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.101 1.366 10.586 1.00 0.00 H new ATOM 1115 N TRP A 73 1.189 -1.271 10.412 1.00 0.00 N ATOM 1116 CA TRP A 73 2.124 -2.111 9.672 1.00 0.00 C ATOM 1117 C TRP A 73 2.127 -3.534 10.218 1.00 0.00 C ATOM 1118 O TRP A 73 2.336 -4.493 9.476 1.00 0.00 O ATOM 1119 CB TRP A 73 3.534 -1.523 9.740 1.00 0.00 C ATOM 1120 CG TRP A 73 4.525 -2.254 8.886 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.250 -3.188 7.928 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.950 -2.113 8.915 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.418 -3.636 7.359 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.475 -2.991 7.947 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.833 -1.329 9.662 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.842 -3.106 7.710 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.190 -1.445 9.426 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.683 -2.327 8.456 1.00 0.00 C ATOM 0 H TRP A 73 1.629 -0.626 11.068 1.00 0.00 H new ATOM 0 HA TRP A 73 1.800 -2.142 8.632 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.499 -0.478 9.431 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.876 -1.538 10.775 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.260 -3.525 7.657 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.487 -4.335 6.619 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.462 -0.645 10.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.225 -3.786 6.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.882 -0.846 9.999 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.749 -2.393 8.294 1.00 0.00 H new ATOM 1139 N ASN A 74 1.893 -3.665 11.520 1.00 0.00 N ATOM 1140 CA ASN A 74 1.869 -4.972 12.165 1.00 0.00 C ATOM 1141 C ASN A 74 0.649 -5.775 11.723 1.00 0.00 C ATOM 1142 O ASN A 74 0.749 -6.967 11.434 1.00 0.00 O ATOM 1143 CB ASN A 74 1.864 -4.813 13.687 1.00 0.00 C ATOM 1144 CG ASN A 74 1.623 -6.127 14.405 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.012 -7.191 13.924 1.00 0.00 O ATOM 1146 ND2 ASN A 74 0.976 -6.058 15.563 1.00 0.00 N ATOM 0 H ASN A 74 1.717 -2.881 12.149 1.00 0.00 H new ATOM 0 HA ASN A 74 2.766 -5.513 11.865 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.818 -4.396 14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.091 -4.099 13.972 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.783 -6.909 16.091 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.672 -5.154 15.924 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.502 -5.112 11.672 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.740 -5.762 11.262 1.00 0.00 C ATOM 1155 C ALA A 75 -1.534 -6.590 9.999 1.00 0.00 C ATOM 1156 O ALA A 75 -2.290 -7.523 9.725 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.833 -4.726 11.044 1.00 0.00 C ATOM 0 H ALA A 75 -0.602 -4.125 11.910 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.048 -6.437 12.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.752 -5.226 10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.008 -4.181 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.523 -4.028 10.266 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.506 -6.244 9.232 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.200 -6.955 7.995 1.00 0.00 C ATOM 1165 C LEU A 76 0.368 -8.340 8.290 1.00 0.00 C ATOM 1166 O LEU A 76 -0.036 -9.330 7.681 1.00 0.00 O ATOM 1167 CB LEU A 76 0.794 -6.152 7.154 1.00 0.00 C ATOM 1168 CG LEU A 76 0.200 -5.029 6.304 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.398 -5.588 5.023 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.850 -4.260 7.094 1.00 0.00 C ATOM 0 H LEU A 76 0.130 -5.475 9.445 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.127 -7.074 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.539 -5.720 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.320 -6.841 6.493 1.00 0.00 H new ATOM 0 HG LEU A 76 1.001 -4.340 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.816 -4.774 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.379 -6.093 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.186 -6.299 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.262 -3.464 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.649 -4.938 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.391 -3.826 7.983 1.00 0.00 H new ATOM 1182 N GLY A 77 1.306 -8.402 9.230 1.00 0.00 N ATOM 1183 CA GLY A 77 1.912 -9.670 9.591 1.00 0.00 C ATOM 1184 C GLY A 77 2.985 -10.099 8.610 1.00 0.00 C ATOM 1185 O GLY A 77 3.941 -9.364 8.364 1.00 0.00 O ATOM 0 H GLY A 77 1.657 -7.597 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.346 -9.591 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.140 -10.438 9.639 1.00 0.00 H new ATOM 1189 N SER A 78 2.829 -11.294 8.050 1.00 0.00 N ATOM 1190 CA SER A 78 3.795 -11.823 7.095 1.00 0.00 C ATOM 1191 C SER A 78 3.367 -11.517 5.663 1.00 0.00 C ATOM 1192 O SER A 78 3.692 -12.258 4.734 1.00 0.00 O ATOM 1193 CB SER A 78 3.953 -13.334 7.280 1.00 0.00 C ATOM 1194 OG SER A 78 4.410 -13.643 8.586 1.00 0.00 O ATOM 0 H SER A 78 2.042 -11.914 8.241 1.00 0.00 H new ATOM 0 HA SER A 78 4.754 -11.339 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.998 -13.827 7.099 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.657 -13.722 6.544 1.00 0.00 H new ATOM 0 HG SER A 78 4.501 -14.614 8.679 1.00 0.00 H new ATOM 1200 N LEU A 79 2.636 -10.421 5.493 1.00 0.00 N ATOM 1201 CA LEU A 79 2.162 -10.015 4.174 1.00 0.00 C ATOM 1202 C LEU A 79 3.329 -9.816 3.213 1.00 0.00 C ATOM 1203 O LEU A 79 4.240 -9.024 3.459 1.00 0.00 O ATOM 1204 CB LEU A 79 1.347 -8.725 4.279 1.00 0.00 C ATOM 1205 CG LEU A 79 0.346 -8.470 3.151 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.073 -8.218 1.839 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.614 -9.643 3.014 1.00 0.00 C ATOM 0 H LEU A 79 2.359 -9.798 6.251 1.00 0.00 H new ATOM 0 HA LEU A 79 1.526 -10.809 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.804 -8.738 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.039 -7.884 4.321 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.232 -7.580 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.345 -8.039 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.719 -7.346 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.677 -9.089 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.319 -9.444 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.051 -10.549 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.160 -9.777 3.948 1.00 0.00 H new ATOM 1219 N PRO A 80 3.304 -10.550 2.090 1.00 0.00 N ATOM 1220 CA PRO A 80 4.352 -10.469 1.068 1.00 0.00 C ATOM 1221 C PRO A 80 4.329 -9.142 0.318 1.00 0.00 C ATOM 1222 O PRO A 80 3.311 -8.449 0.291 1.00 0.00 O ATOM 1223 CB PRO A 80 4.013 -11.624 0.122 1.00 0.00 C ATOM 1224 CG PRO A 80 2.549 -11.839 0.295 1.00 0.00 C ATOM 1225 CD PRO A 80 2.250 -11.514 1.732 1.00 0.00 C ATOM 0 HA PRO A 80 5.350 -10.533 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.257 -11.374 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.577 -12.521 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.978 -11.198 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.276 -12.868 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.255 -11.083 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.288 -12.403 2.361 1.00 0.00 H new ATOM 1233 N LYS A 81 5.457 -8.792 -0.290 1.00 0.00 N ATOM 1234 CA LYS A 81 5.567 -7.548 -1.043 1.00 0.00 C ATOM 1235 C LYS A 81 4.514 -7.484 -2.145 1.00 0.00 C ATOM 1236 O LYS A 81 3.839 -6.468 -2.311 1.00 0.00 O ATOM 1237 CB LYS A 81 6.965 -7.418 -1.651 1.00 0.00 C ATOM 1238 CG LYS A 81 8.082 -7.454 -0.622 1.00 0.00 C ATOM 1239 CD LYS A 81 8.340 -6.078 -0.032 1.00 0.00 C ATOM 1240 CE LYS A 81 9.792 -5.916 0.391 1.00 0.00 C ATOM 1241 NZ LYS A 81 10.703 -5.814 -0.783 1.00 0.00 N ATOM 0 H LYS A 81 6.309 -9.353 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 81 5.398 -6.720 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.117 -8.225 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.025 -6.482 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.821 -8.150 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.994 -7.829 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.086 -5.313 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.690 -5.922 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.893 -5.023 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.088 -6.765 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.612 -5.408 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.862 -6.761 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.272 -5.202 -1.505 1.00 0.00 H new ATOM 1255 N GLU A 82 4.379 -8.574 -2.893 1.00 0.00 N ATOM 1256 CA GLU A 82 3.407 -8.640 -3.978 1.00 0.00 C ATOM 1257 C GLU A 82 2.040 -8.144 -3.514 1.00 0.00 C ATOM 1258 O GLU A 82 1.536 -7.133 -4.004 1.00 0.00 O ATOM 1259 CB GLU A 82 3.291 -10.073 -4.502 1.00 0.00 C ATOM 1260 CG GLU A 82 4.538 -10.561 -5.218 1.00 0.00 C ATOM 1261 CD GLU A 82 5.540 -11.201 -4.276 1.00 0.00 C ATOM 1262 OE1 GLU A 82 5.106 -11.819 -3.281 1.00 0.00 O ATOM 1263 OE2 GLU A 82 6.756 -11.083 -4.532 1.00 0.00 O ATOM 0 H GLU A 82 4.930 -9.423 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 82 3.755 -7.993 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.077 -10.740 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.443 -10.134 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.254 -11.282 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.010 -9.722 -5.729 1.00 0.00 H new ATOM 1270 N ALA A 83 1.446 -8.863 -2.568 1.00 0.00 N ATOM 1271 CA ALA A 83 0.139 -8.496 -2.037 1.00 0.00 C ATOM 1272 C ALA A 83 0.168 -7.101 -1.423 1.00 0.00 C ATOM 1273 O ALA A 83 -0.765 -6.317 -1.596 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.318 -9.519 -1.007 1.00 0.00 C ATOM 0 H ALA A 83 1.849 -9.703 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.572 -8.486 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.295 -9.233 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.387 -10.501 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.401 -9.557 -0.188 1.00 0.00 H new ATOM 1280 N ALA A 84 1.244 -6.798 -0.704 1.00 0.00 N ATOM 1281 CA ALA A 84 1.394 -5.496 -0.066 1.00 0.00 C ATOM 1282 C ALA A 84 1.084 -4.367 -1.042 1.00 0.00 C ATOM 1283 O ALA A 84 0.268 -3.491 -0.754 1.00 0.00 O ATOM 1284 CB ALA A 84 2.801 -5.342 0.493 1.00 0.00 C ATOM 0 H ALA A 84 2.024 -7.436 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 84 0.680 -5.437 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.899 -4.365 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.987 -6.123 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.526 -5.427 -0.317 1.00 0.00 H new ATOM 1290 N ARG A 85 1.741 -4.392 -2.197 1.00 0.00 N ATOM 1291 CA ARG A 85 1.536 -3.368 -3.215 1.00 0.00 C ATOM 1292 C ARG A 85 0.094 -3.379 -3.714 1.00 0.00 C ATOM 1293 O ARG A 85 -0.511 -2.326 -3.911 1.00 0.00 O ATOM 1294 CB ARG A 85 2.495 -3.586 -4.387 1.00 0.00 C ATOM 1295 CG ARG A 85 3.834 -2.888 -4.217 1.00 0.00 C ATOM 1296 CD ARG A 85 4.549 -2.721 -5.549 1.00 0.00 C ATOM 1297 NE ARG A 85 5.998 -2.649 -5.386 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.860 -2.884 -6.369 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.421 -3.205 -7.578 1.00 0.00 N ATOM 1300 NH2 ARG A 85 8.165 -2.798 -6.144 1.00 0.00 N ATOM 0 H ARG A 85 2.420 -5.110 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 85 1.739 -2.396 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.666 -4.655 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.023 -3.230 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.680 -1.910 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.461 -3.463 -3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.299 -3.557 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.194 -1.815 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 85 6.369 -2.405 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.419 -3.272 -7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.085 -3.385 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.507 -2.551 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.826 -2.979 -6.900 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.448 -4.575 -3.917 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.818 -4.721 -4.394 1.00 0.00 C ATOM 1316 C GLN A 86 -2.808 -4.135 -3.393 1.00 0.00 C ATOM 1317 O GLN A 86 -3.812 -3.536 -3.777 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.138 -6.196 -4.643 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.620 -6.470 -4.849 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.107 -6.047 -6.220 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.287 -6.878 -7.111 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.322 -4.749 -6.398 1.00 0.00 N ATOM 0 H GLN A 86 0.040 -5.457 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.911 -4.173 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.589 -6.535 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.782 -6.784 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.811 -7.534 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.192 -5.943 -4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.160 -4.095 -5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.649 -4.405 -7.301 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.519 -4.313 -2.108 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.385 -3.802 -1.052 1.00 0.00 C ATOM 1333 C ASN A 87 -3.383 -2.277 -1.037 1.00 0.00 C ATOM 1334 O ASN A 87 -4.437 -1.645 -0.958 1.00 0.00 O ATOM 1335 CB ASN A 87 -2.936 -4.338 0.309 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.259 -5.809 0.487 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.400 -6.176 0.767 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.252 -6.659 0.324 1.00 0.00 N ATOM 0 H ASN A 87 -1.692 -4.807 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.400 -4.144 -1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.862 -4.189 0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.420 -3.764 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.408 -7.661 0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.322 -6.310 0.092 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.193 -1.692 -1.113 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.053 -0.240 -1.107 1.00 0.00 C ATOM 1347 C TYR A 88 -2.889 0.393 -2.215 1.00 0.00 C ATOM 1348 O TYR A 88 -3.630 1.347 -1.981 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.584 0.152 -1.273 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.339 1.640 -1.169 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -0.725 2.501 -2.189 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.277 2.186 -0.050 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.502 3.861 -2.099 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.502 3.546 0.050 1.00 0.00 C ATOM 1355 CZ TYR A 88 0.111 4.379 -0.977 1.00 0.00 C ATOM 1356 OH TYR A 88 0.333 5.733 -0.883 1.00 0.00 O ATOM 0 H TYR A 88 -1.311 -2.200 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.415 0.131 -0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.008 -0.359 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.230 -0.199 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.208 2.100 -3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.585 1.536 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.806 4.515 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.981 3.954 0.928 1.00 0.00 H new ATOM 0 HH TYR A 88 0.772 5.934 -0.030 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.764 -0.147 -3.423 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.508 0.363 -4.569 1.00 0.00 C ATOM 1368 C VAL A 89 -4.999 0.081 -4.425 1.00 0.00 C ATOM 1369 O VAL A 89 -5.832 0.960 -4.644 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.004 -0.256 -5.886 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.588 0.209 -6.187 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.074 -1.775 -5.821 1.00 0.00 C ATOM 0 H VAL A 89 -2.155 -0.937 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.346 1.441 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.650 0.080 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.249 -0.239 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.573 1.295 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.925 -0.096 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.714 -2.196 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.452 -2.133 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.106 -2.085 -5.656 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.329 -1.152 -4.055 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.721 -1.551 -3.879 1.00 0.00 C ATOM 1384 C ASP A 90 -7.466 -0.551 -3.000 1.00 0.00 C ATOM 1385 O ASP A 90 -8.671 -0.346 -3.158 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.800 -2.948 -3.263 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.134 -3.620 -3.520 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -8.713 -3.395 -4.604 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.599 -4.372 -2.639 1.00 0.00 O ATOM 0 H ASP A 90 -4.652 -1.892 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.195 -1.568 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.000 -3.567 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.633 -2.878 -2.188 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.744 0.068 -2.074 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.336 1.046 -1.168 1.00 0.00 C ATOM 1396 C LEU A 91 -7.596 2.366 -1.887 1.00 0.00 C ATOM 1397 O LEU A 91 -8.740 2.808 -2.001 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.419 1.279 0.034 1.00 0.00 C ATOM 1399 CG LEU A 91 -6.961 2.206 1.122 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -6.933 3.652 0.654 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.374 1.798 1.515 1.00 0.00 C ATOM 0 H LEU A 91 -5.747 -0.090 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.289 0.650 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.194 0.313 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.476 1.689 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.321 2.117 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.323 4.297 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.907 3.940 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.549 3.757 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.744 2.469 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.026 1.857 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.366 0.776 1.893 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.528 2.990 -2.372 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.641 4.258 -3.083 1.00 0.00 C ATOM 1415 C VAL A 92 -7.744 4.203 -4.134 1.00 0.00 C ATOM 1416 O VAL A 92 -8.403 5.204 -4.410 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.314 4.638 -3.767 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.454 5.959 -4.508 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.189 4.708 -2.745 1.00 0.00 C ATOM 0 H VAL A 92 -5.574 2.638 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.889 5.016 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.066 3.865 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.507 6.211 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.230 5.869 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.726 6.745 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.259 4.978 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.427 5.460 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.074 3.737 -2.264 1.00 0.00 H new ATOM 1429 N SER A 93 -7.939 3.024 -4.717 1.00 0.00 N ATOM 1430 CA SER A 93 -8.960 2.838 -5.741 1.00 0.00 C ATOM 1431 C SER A 93 -10.357 2.873 -5.128 1.00 0.00 C ATOM 1432 O SER A 93 -11.321 3.282 -5.775 1.00 0.00 O ATOM 1433 CB SER A 93 -8.744 1.511 -6.472 1.00 0.00 C ATOM 1434 OG SER A 93 -9.423 1.497 -7.716 1.00 0.00 O ATOM 0 H SER A 93 -7.404 2.184 -4.498 1.00 0.00 H new ATOM 0 HA SER A 93 -8.875 3.656 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.678 1.351 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.099 0.688 -5.851 1.00 0.00 H new ATOM 0 HG SER A 93 -9.268 0.639 -8.164 1.00 0.00 H new ATOM 1440 N SER A 94 -10.457 2.440 -3.876 1.00 0.00 N ATOM 1441 CA SER A 94 -11.736 2.417 -3.175 1.00 0.00 C ATOM 1442 C SER A 94 -12.239 3.834 -2.917 1.00 0.00 C ATOM 1443 O SER A 94 -13.414 4.137 -3.130 1.00 0.00 O ATOM 1444 CB SER A 94 -11.602 1.663 -1.851 1.00 0.00 C ATOM 1445 OG SER A 94 -12.806 1.724 -1.105 1.00 0.00 O ATOM 0 H SER A 94 -9.668 2.100 -3.326 1.00 0.00 H new ATOM 0 HA SER A 94 -12.460 1.902 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.344 0.622 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.787 2.090 -1.267 1.00 0.00 H new ATOM 0 HG SER A 94 -12.695 1.233 -0.264 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.342 4.699 -2.457 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.694 6.086 -2.170 1.00 0.00 C ATOM 1453 C LEU A 95 -12.125 6.813 -3.440 1.00 0.00 C ATOM 1454 O LEU A 95 -13.098 7.566 -3.436 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.508 6.811 -1.531 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.995 6.227 -0.214 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.595 6.740 0.087 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.945 6.565 0.925 1.00 0.00 C ATOM 0 H LEU A 95 -10.366 4.465 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.531 6.086 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.685 6.820 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.792 7.849 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.949 5.142 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.246 6.314 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.920 6.447 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.615 7.827 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.564 6.141 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.023 7.648 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.930 6.148 0.713 1.00 0.00 H new ATOM 1470 N SER A 96 -11.394 6.580 -4.526 1.00 0.00 N ATOM 1471 CA SER A 96 -11.700 7.214 -5.803 1.00 0.00 C ATOM 1472 C SER A 96 -13.039 6.725 -6.345 1.00 0.00 C ATOM 1473 O SER A 96 -13.476 5.606 -6.075 1.00 0.00 O ATOM 1474 CB SER A 96 -10.590 6.928 -6.817 1.00 0.00 C ATOM 1475 OG SER A 96 -9.357 7.483 -6.393 1.00 0.00 O ATOM 0 H SER A 96 -10.586 5.957 -4.547 1.00 0.00 H new ATOM 0 HA SER A 96 -11.765 8.290 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.482 5.851 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.864 7.342 -7.787 1.00 0.00 H new ATOM 0 HG SER A 96 -8.928 6.876 -5.754 1.00 0.00 H new ATOM 1481 N PRO A 97 -13.707 7.583 -7.130 1.00 0.00 N ATOM 1482 CA PRO A 97 -15.006 7.260 -7.729 1.00 0.00 C ATOM 1483 C PRO A 97 -14.896 6.198 -8.817 1.00 0.00 C ATOM 1484 O PRO A 97 -15.722 5.289 -8.896 1.00 0.00 O ATOM 1485 CB PRO A 97 -15.462 8.594 -8.327 1.00 0.00 C ATOM 1486 CG PRO A 97 -14.201 9.345 -8.582 1.00 0.00 C ATOM 1487 CD PRO A 97 -13.247 8.933 -7.495 1.00 0.00 C ATOM 0 HA PRO A 97 -15.700 6.845 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.026 8.443 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.113 9.134 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.797 9.107 -9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.376 10.421 -8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.216 8.924 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.288 9.615 -6.645 1.00 0.00 H new ATOM 1495 N SER A 98 -13.870 6.319 -9.653 1.00 0.00 N ATOM 1496 CA SER A 98 -13.653 5.370 -10.740 1.00 0.00 C ATOM 1497 C SER A 98 -12.227 5.469 -11.271 1.00 0.00 C ATOM 1498 O SER A 98 -11.648 6.554 -11.331 1.00 0.00 O ATOM 1499 CB SER A 98 -14.650 5.624 -11.872 1.00 0.00 C ATOM 1500 OG SER A 98 -14.602 4.585 -12.835 1.00 0.00 O ATOM 0 H SER A 98 -13.176 7.064 -9.599 1.00 0.00 H new ATOM 0 HA SER A 98 -13.807 4.364 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.658 5.700 -11.463 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.427 6.578 -12.350 1.00 0.00 H new ATOM 0 HG SER A 98 -15.249 4.769 -13.547 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.665 4.328 -11.655 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.305 4.284 -12.182 1.00 0.00 C ATOM 1508 C LEU A 99 -10.231 3.400 -13.423 1.00 0.00 C ATOM 1509 O LEU A 99 -10.848 2.338 -13.478 1.00 0.00 O ATOM 1510 CB LEU A 99 -9.340 3.765 -11.114 1.00 0.00 C ATOM 1511 CG LEU A 99 -8.715 4.822 -10.204 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -7.858 4.165 -9.133 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -7.891 5.808 -11.019 1.00 0.00 C ATOM 0 H LEU A 99 -12.130 3.421 -11.611 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.017 5.297 -12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.872 3.046 -10.491 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.537 3.222 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.518 5.371 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.421 4.933 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.476 3.500 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.062 3.590 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.454 6.553 -10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.096 5.275 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.533 6.304 -11.748 1.00 0.00 H new ATOM 1525 N GLU A 100 -9.469 3.848 -14.416 1.00 0.00 N ATOM 1526 CA GLU A 100 -9.313 3.096 -15.656 1.00 0.00 C ATOM 1527 C GLU A 100 -7.872 3.161 -16.154 1.00 0.00 C ATOM 1528 O GLU A 100 -7.367 4.232 -16.491 1.00 0.00 O ATOM 1529 CB GLU A 100 -10.259 3.638 -16.729 1.00 0.00 C ATOM 1530 CG GLU A 100 -10.557 2.642 -17.838 1.00 0.00 C ATOM 1531 CD GLU A 100 -11.212 3.289 -19.043 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -10.660 4.287 -19.552 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -12.275 2.798 -19.476 1.00 0.00 O ATOM 0 H GLU A 100 -8.951 4.726 -14.386 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.563 2.055 -15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.196 3.936 -16.258 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.822 4.536 -17.166 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.629 2.161 -18.148 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.209 1.858 -17.452 1.00 0.00 H new ATOM 1540 N SER A 101 -7.214 2.007 -16.197 1.00 0.00 N ATOM 1541 CA SER A 101 -5.830 1.931 -16.649 1.00 0.00 C ATOM 1542 C SER A 101 -5.725 2.264 -18.134 1.00 0.00 C ATOM 1543 O SER A 101 -6.464 1.723 -18.957 1.00 0.00 O ATOM 1544 CB SER A 101 -5.260 0.536 -16.386 1.00 0.00 C ATOM 1545 OG SER A 101 -6.085 -0.467 -16.953 1.00 0.00 O ATOM 0 H SER A 101 -7.618 1.111 -15.924 1.00 0.00 H new ATOM 0 HA SER A 101 -5.250 2.664 -16.088 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.256 0.465 -16.805 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.170 0.373 -15.312 1.00 0.00 H new ATOM 0 HG SER A 101 -6.441 -0.152 -17.810 1.00 0.00 H new ATOM 1551 N SER A 102 -4.800 3.159 -18.469 1.00 0.00 N ATOM 1552 CA SER A 102 -4.600 3.568 -19.855 1.00 0.00 C ATOM 1553 C SER A 102 -3.623 2.632 -20.561 1.00 0.00 C ATOM 1554 O SER A 102 -3.892 2.153 -21.662 1.00 0.00 O ATOM 1555 CB SER A 102 -4.080 5.005 -19.914 1.00 0.00 C ATOM 1556 OG SER A 102 -2.909 5.157 -19.130 1.00 0.00 O ATOM 0 H SER A 102 -4.178 3.614 -17.801 1.00 0.00 H new ATOM 0 HA SER A 102 -5.561 3.516 -20.367 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.867 5.275 -20.948 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.851 5.689 -19.558 1.00 0.00 H new ATOM 0 HG SER A 102 -2.596 6.084 -19.186 1.00 0.00 H new ATOM 1562 N SER A 103 -2.487 2.378 -19.919 1.00 0.00 N ATOM 1563 CA SER A 103 -1.468 1.503 -20.486 1.00 0.00 C ATOM 1564 C SER A 103 -1.214 0.304 -19.577 1.00 0.00 C ATOM 1565 O SER A 103 -0.793 0.460 -18.431 1.00 0.00 O ATOM 1566 CB SER A 103 -0.166 2.277 -20.704 1.00 0.00 C ATOM 1567 OG SER A 103 -0.390 3.445 -21.474 1.00 0.00 O ATOM 0 H SER A 103 -2.249 2.766 -19.006 1.00 0.00 H new ATOM 0 HA SER A 103 -1.831 1.138 -21.447 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.264 2.550 -19.740 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.560 1.639 -21.208 1.00 0.00 H new ATOM 0 HG SER A 103 0.457 3.923 -21.598 1.00 0.00 H new ATOM 1573 N GLN A 104 -1.473 -0.890 -20.099 1.00 0.00 N ATOM 1574 CA GLN A 104 -1.273 -2.116 -19.335 1.00 0.00 C ATOM 1575 C GLN A 104 0.193 -2.535 -19.351 1.00 0.00 C ATOM 1576 O GLN A 104 0.694 -3.044 -20.354 1.00 0.00 O ATOM 1577 CB GLN A 104 -2.143 -3.241 -19.899 1.00 0.00 C ATOM 1578 CG GLN A 104 -1.941 -4.575 -19.199 1.00 0.00 C ATOM 1579 CD GLN A 104 -2.679 -4.659 -17.877 1.00 0.00 C ATOM 1580 OE1 GLN A 104 -2.478 -3.832 -16.987 1.00 0.00 O ATOM 1581 NE2 GLN A 104 -3.540 -5.661 -17.742 1.00 0.00 N ATOM 0 H GLN A 104 -1.821 -1.035 -21.047 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.565 -1.922 -18.303 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.191 -2.953 -19.819 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.925 -3.360 -20.960 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.281 -5.379 -19.852 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.876 -4.733 -19.027 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.675 -6.324 -18.506 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.066 -5.768 -16.875 1.00 0.00 H new ATOM 1590 N VAL A 105 0.878 -2.317 -18.232 1.00 0.00 N ATOM 1591 CA VAL A 105 2.288 -2.672 -18.117 1.00 0.00 C ATOM 1592 C VAL A 105 2.464 -3.986 -17.364 1.00 0.00 C ATOM 1593 O VAL A 105 2.238 -4.054 -16.156 1.00 0.00 O ATOM 1594 CB VAL A 105 3.088 -1.569 -17.398 1.00 0.00 C ATOM 1595 CG1 VAL A 105 4.551 -1.966 -17.274 1.00 0.00 C ATOM 1596 CG2 VAL A 105 2.946 -0.244 -18.132 1.00 0.00 C ATOM 0 H VAL A 105 0.479 -1.896 -17.393 1.00 0.00 H new ATOM 0 HA VAL A 105 2.670 -2.784 -19.132 1.00 0.00 H new ATOM 0 HB VAL A 105 2.684 -1.446 -16.393 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.101 -1.175 -16.764 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.630 -2.890 -16.702 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.972 -2.118 -18.268 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.517 0.524 -17.610 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.323 -0.349 -19.149 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.895 0.044 -18.163 1.00 0.00 H new ATOM 1606 N GLU A 106 2.868 -5.026 -18.086 1.00 0.00 N ATOM 1607 CA GLU A 106 3.074 -6.338 -17.485 1.00 0.00 C ATOM 1608 C GLU A 106 4.506 -6.818 -17.702 1.00 0.00 C ATOM 1609 O GLU A 106 4.807 -7.543 -18.651 1.00 0.00 O ATOM 1610 CB GLU A 106 2.090 -7.353 -18.072 1.00 0.00 C ATOM 1611 CG GLU A 106 1.708 -8.461 -17.105 1.00 0.00 C ATOM 1612 CD GLU A 106 2.764 -9.545 -17.014 1.00 0.00 C ATOM 1613 OE1 GLU A 106 2.982 -10.248 -18.023 1.00 0.00 O ATOM 1614 OE2 GLU A 106 3.373 -9.691 -15.933 1.00 0.00 O ATOM 0 H GLU A 106 3.059 -4.986 -19.087 1.00 0.00 H new ATOM 0 HA GLU A 106 2.898 -6.249 -16.413 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.187 -6.830 -18.387 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.529 -7.797 -18.965 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.544 -8.034 -16.115 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.764 -8.904 -17.421 1.00 0.00 H new ATOM 1621 N PRO A 107 5.411 -6.403 -16.803 1.00 0.00 N ATOM 1622 CA PRO A 107 6.826 -6.778 -16.875 1.00 0.00 C ATOM 1623 C PRO A 107 7.052 -8.254 -16.567 1.00 0.00 C ATOM 1624 O PRO A 107 6.423 -8.814 -15.670 1.00 0.00 O ATOM 1625 CB PRO A 107 7.480 -5.902 -15.803 1.00 0.00 C ATOM 1626 CG PRO A 107 6.386 -5.608 -14.835 1.00 0.00 C ATOM 1627 CD PRO A 107 5.122 -5.538 -15.648 1.00 0.00 C ATOM 0 HA PRO A 107 7.236 -6.631 -17.874 1.00 0.00 H new ATOM 0 HB2 PRO A 107 8.308 -6.420 -15.319 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.885 -4.986 -16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.318 -6.386 -14.074 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.568 -4.668 -14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.261 -5.896 -15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.899 -4.517 -15.957 1.00 0.00 H new ATOM 1635 N GLY A 108 7.955 -8.880 -17.316 1.00 0.00 N ATOM 1636 CA GLY A 108 8.247 -10.286 -17.107 1.00 0.00 C ATOM 1637 C GLY A 108 8.457 -11.034 -18.408 1.00 0.00 C ATOM 1638 O GLY A 108 7.496 -11.380 -19.097 1.00 0.00 O ATOM 0 H GLY A 108 8.490 -8.438 -18.064 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.140 -10.380 -16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.427 -10.746 -16.555 1.00 0.00 H new ATOM 1642 N THR A 109 9.717 -11.285 -18.749 1.00 0.00 N ATOM 1643 CA THR A 109 10.051 -11.994 -19.977 1.00 0.00 C ATOM 1644 C THR A 109 10.885 -13.237 -19.686 1.00 0.00 C ATOM 1645 O THR A 109 12.034 -13.138 -19.256 1.00 0.00 O ATOM 1646 CB THR A 109 10.823 -11.090 -20.956 1.00 0.00 C ATOM 1647 OG1 THR A 109 11.928 -10.473 -20.286 1.00 0.00 O ATOM 1648 CG2 THR A 109 9.912 -10.018 -21.536 1.00 0.00 C ATOM 0 H THR A 109 10.524 -11.007 -18.191 1.00 0.00 H new ATOM 0 HA THR A 109 9.108 -12.292 -20.435 1.00 0.00 H new ATOM 0 HB THR A 109 11.194 -11.710 -21.772 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.334 -11.114 -19.666 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.479 -9.392 -22.224 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.088 -10.491 -22.071 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.515 -9.402 -20.729 1.00 0.00 H new ATOM 1656 N ASP A 110 10.299 -14.405 -19.922 1.00 0.00 N ATOM 1657 CA ASP A 110 10.989 -15.668 -19.687 1.00 0.00 C ATOM 1658 C ASP A 110 12.173 -15.826 -20.635 1.00 0.00 C ATOM 1659 O ASP A 110 13.281 -16.155 -20.212 1.00 0.00 O ATOM 1660 CB ASP A 110 10.023 -16.841 -19.857 1.00 0.00 C ATOM 1661 CG ASP A 110 9.253 -16.773 -21.162 1.00 0.00 C ATOM 1662 OD1 ASP A 110 8.342 -15.926 -21.268 1.00 0.00 O ATOM 1663 OD2 ASP A 110 9.561 -17.566 -22.075 1.00 0.00 O ATOM 0 H ASP A 110 9.348 -14.504 -20.276 1.00 0.00 H new ATOM 0 HA ASP A 110 11.365 -15.663 -18.664 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.581 -17.776 -19.816 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.320 -16.853 -19.024 1.00 0.00 H new ATOM 1668 N SER A 111 11.930 -15.589 -21.921 1.00 0.00 N ATOM 1669 CA SER A 111 12.975 -15.710 -22.931 1.00 0.00 C ATOM 1670 C SER A 111 14.051 -14.647 -22.729 1.00 0.00 C ATOM 1671 O SER A 111 13.798 -13.595 -22.144 1.00 0.00 O ATOM 1672 CB SER A 111 12.375 -15.586 -24.333 1.00 0.00 C ATOM 1673 OG SER A 111 11.394 -16.583 -24.558 1.00 0.00 O ATOM 0 H SER A 111 11.019 -15.312 -22.287 1.00 0.00 H new ATOM 0 HA SER A 111 13.436 -16.692 -22.827 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.929 -14.599 -24.455 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.165 -15.674 -25.079 1.00 0.00 H new ATOM 0 HG SER A 111 11.025 -16.481 -25.460 1.00 0.00 H new ATOM 1679 N GLY A 112 15.254 -14.930 -23.220 1.00 0.00 N ATOM 1680 CA GLY A 112 16.350 -13.990 -23.084 1.00 0.00 C ATOM 1681 C GLY A 112 17.234 -14.298 -21.892 1.00 0.00 C ATOM 1682 O GLY A 112 16.766 -14.416 -20.759 1.00 0.00 O ATOM 0 H GLY A 112 15.488 -15.794 -23.709 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.952 -14.005 -23.992 1.00 0.00 H new ATOM 0 HA3 GLY A 112 15.949 -12.981 -22.984 1.00 0.00 H new ATOM 1686 N PRO A 113 18.545 -14.436 -22.141 1.00 0.00 N ATOM 1687 CA PRO A 113 19.523 -14.735 -21.091 1.00 0.00 C ATOM 1688 C PRO A 113 19.728 -13.563 -20.138 1.00 0.00 C ATOM 1689 O PRO A 113 20.427 -12.603 -20.461 1.00 0.00 O ATOM 1690 CB PRO A 113 20.808 -15.018 -21.874 1.00 0.00 C ATOM 1691 CG PRO A 113 20.643 -14.274 -23.154 1.00 0.00 C ATOM 1692 CD PRO A 113 19.173 -14.309 -23.467 1.00 0.00 C ATOM 0 HA PRO A 113 19.201 -15.562 -20.458 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.688 -14.677 -21.328 1.00 0.00 H new ATOM 0 HB3 PRO A 113 20.937 -16.086 -22.051 1.00 0.00 H new ATOM 0 HG2 PRO A 113 20.997 -13.248 -23.057 1.00 0.00 H new ATOM 0 HG3 PRO A 113 21.223 -14.737 -23.952 1.00 0.00 H new ATOM 0 HD2 PRO A 113 18.850 -13.403 -23.980 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.920 -15.149 -24.114 1.00 0.00 H new ATOM 1700 N SER A 114 19.114 -13.648 -18.962 1.00 0.00 N ATOM 1701 CA SER A 114 19.226 -12.592 -17.963 1.00 0.00 C ATOM 1702 C SER A 114 18.903 -13.125 -16.570 1.00 0.00 C ATOM 1703 O SER A 114 17.745 -13.384 -16.246 1.00 0.00 O ATOM 1704 CB SER A 114 18.289 -11.433 -18.307 1.00 0.00 C ATOM 1705 OG SER A 114 18.281 -10.460 -17.277 1.00 0.00 O ATOM 0 H SER A 114 18.534 -14.437 -18.678 1.00 0.00 H new ATOM 0 HA SER A 114 20.255 -12.231 -17.966 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.604 -10.973 -19.244 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.279 -11.812 -18.461 1.00 0.00 H new ATOM 0 HG SER A 114 17.626 -10.713 -16.593 1.00 0.00 H new ATOM 1711 N SER A 115 19.938 -13.287 -15.752 1.00 0.00 N ATOM 1712 CA SER A 115 19.767 -13.794 -14.395 1.00 0.00 C ATOM 1713 C SER A 115 18.504 -13.222 -13.757 1.00 0.00 C ATOM 1714 O SER A 115 17.641 -13.963 -13.290 1.00 0.00 O ATOM 1715 CB SER A 115 20.986 -13.445 -13.540 1.00 0.00 C ATOM 1716 OG SER A 115 20.838 -13.931 -12.217 1.00 0.00 O ATOM 0 H SER A 115 20.903 -13.075 -16.005 1.00 0.00 H new ATOM 0 HA SER A 115 19.668 -14.878 -14.448 1.00 0.00 H new ATOM 0 HB2 SER A 115 21.883 -13.871 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 115 21.123 -12.364 -13.520 1.00 0.00 H new ATOM 0 HG SER A 115 21.631 -13.696 -11.692 1.00 0.00 H new ATOM 1722 N GLY A 116 18.405 -11.896 -13.741 1.00 0.00 N ATOM 1723 CA GLY A 116 17.246 -11.246 -13.159 1.00 0.00 C ATOM 1724 C GLY A 116 16.240 -10.807 -14.205 1.00 0.00 C ATOM 1725 O GLY A 116 16.080 -11.462 -15.235 1.00 0.00 O ATOM 0 H GLY A 116 19.107 -11.261 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 116 16.764 -11.929 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 116 17.570 -10.378 -12.585 1.00 0.00 H new TER 1729 GLY A 116