USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 852 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 30 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Set 1.2: A 95 SER OG : rot 176:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0153 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 1.29 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 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -1.76 F(o=-2.5!,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 77:sc= 0.0441 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0563 K(o=-0.056,f=-0.77) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 80:sc= -0.721 USER MOD Single : A 64 GLN : amide:sc= -0.0155 X(o=-0.015,f=0.059) USER MOD Single : A 65 THR OG1 : rot -81:sc= 0.776 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.6! C(o=-1.6!,f=-9.7!) USER MOD Single : A 78 ASN : amide:sc= 0.0295 K(o=0.029,f=-4.7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.52) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc=-0.00532 X(o=-0.0053,f=-0.19) USER MOD Single : A 97 GLN : amide:sc= -0.878 X(o=-0.88,f=-0.45) USER MOD Single : A 98 SER OG : rot 139:sc= 0.00773 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.755 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.313 F(o=-1.4,f=-0.31) USER MOD Single : A 111 MET CE :methyl -150:sc= -2.77 (180deg=-4.82!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.054 -21.313 14.133 1.00 0.00 N ATOM 2 CA GLY A 1 -18.385 -21.153 12.852 1.00 0.00 C ATOM 3 C GLY A 1 -17.485 -19.915 12.855 1.00 0.00 C ATOM 4 O GLY A 1 -16.841 -19.613 13.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.969 -22.301 14.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.612 -20.687 14.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.059 -21.066 14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.789 -22.040 12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.127 -21.066 12.058 1.00 0.00 H new ATOM 8 N SER A 2 -17.471 -19.231 11.719 1.00 0.00 N ATOM 9 CA SER A 2 -16.661 -18.034 11.578 1.00 0.00 C ATOM 10 C SER A 2 -17.022 -17.308 10.280 1.00 0.00 C ATOM 11 O SER A 2 -16.391 -17.525 9.247 1.00 0.00 O ATOM 12 CB SER A 2 -15.169 -18.371 11.598 1.00 0.00 C ATOM 13 OG SER A 2 -14.653 -18.424 12.926 1.00 0.00 O ATOM 0 H SER A 2 -18.008 -19.484 10.889 1.00 0.00 H new ATOM 0 HA SER A 2 -16.869 -17.380 12.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.007 -19.331 11.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.620 -17.623 11.025 1.00 0.00 H new ATOM 0 HG SER A 2 -15.330 -18.803 13.525 1.00 0.00 H new ATOM 19 N SER A 3 -18.037 -16.461 10.376 1.00 0.00 N ATOM 20 CA SER A 3 -18.490 -15.703 9.223 1.00 0.00 C ATOM 21 C SER A 3 -19.437 -14.587 9.669 1.00 0.00 C ATOM 22 O SER A 3 -20.504 -14.856 10.219 1.00 0.00 O ATOM 23 CB SER A 3 -19.184 -16.610 8.204 1.00 0.00 C ATOM 24 OG SER A 3 -19.174 -16.048 6.894 1.00 0.00 O ATOM 0 H SER A 3 -18.558 -16.283 11.235 1.00 0.00 H new ATOM 0 HA SER A 3 -17.618 -15.261 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.688 -17.581 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.214 -16.784 8.516 1.00 0.00 H new ATOM 0 HG SER A 3 -19.625 -16.658 6.273 1.00 0.00 H new ATOM 30 N GLY A 4 -19.013 -13.358 9.415 1.00 0.00 N ATOM 31 CA GLY A 4 -19.809 -12.200 9.784 1.00 0.00 C ATOM 32 C GLY A 4 -19.230 -10.920 9.179 1.00 0.00 C ATOM 33 O GLY A 4 -19.684 -10.464 8.130 1.00 0.00 O ATOM 0 H GLY A 4 -18.128 -13.139 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.835 -12.336 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.844 -12.110 10.870 1.00 0.00 H new ATOM 37 N SER A 5 -18.235 -10.376 9.864 1.00 0.00 N ATOM 38 CA SER A 5 -17.588 -9.158 9.407 1.00 0.00 C ATOM 39 C SER A 5 -16.094 -9.407 9.197 1.00 0.00 C ATOM 40 O SER A 5 -15.442 -10.039 10.027 1.00 0.00 O ATOM 41 CB SER A 5 -17.802 -8.015 10.401 1.00 0.00 C ATOM 42 OG SER A 5 -18.115 -6.789 9.746 1.00 0.00 O ATOM 0 H SER A 5 -17.861 -10.757 10.733 1.00 0.00 H new ATOM 0 HA SER A 5 -18.038 -8.866 8.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.609 -8.276 11.086 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.903 -7.885 11.003 1.00 0.00 H new ATOM 0 HG SER A 5 -18.246 -6.085 10.415 1.00 0.00 H new ATOM 48 N SER A 6 -15.593 -8.895 8.082 1.00 0.00 N ATOM 49 CA SER A 6 -14.187 -9.054 7.751 1.00 0.00 C ATOM 50 C SER A 6 -13.836 -10.539 7.652 1.00 0.00 C ATOM 51 O SER A 6 -13.788 -11.238 8.664 1.00 0.00 O ATOM 52 CB SER A 6 -13.296 -8.366 8.789 1.00 0.00 C ATOM 53 OG SER A 6 -11.929 -8.744 8.654 1.00 0.00 O ATOM 0 H SER A 6 -16.136 -8.370 7.396 1.00 0.00 H new ATOM 0 HA SER A 6 -14.008 -8.581 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.385 -7.285 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.645 -8.618 9.790 1.00 0.00 H new ATOM 0 HG SER A 6 -11.393 -8.283 9.333 1.00 0.00 H new ATOM 59 N GLY A 7 -13.602 -10.978 6.425 1.00 0.00 N ATOM 60 CA GLY A 7 -13.257 -12.369 6.180 1.00 0.00 C ATOM 61 C GLY A 7 -11.757 -12.525 5.924 1.00 0.00 C ATOM 62 O GLY A 7 -11.058 -11.541 5.687 1.00 0.00 O ATOM 0 H GLY A 7 -13.644 -10.396 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.548 -12.976 7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.817 -12.740 5.322 1.00 0.00 H new ATOM 66 N HIS A 8 -11.306 -13.770 5.981 1.00 0.00 N ATOM 67 CA HIS A 8 -9.902 -14.068 5.759 1.00 0.00 C ATOM 68 C HIS A 8 -9.738 -14.810 4.431 1.00 0.00 C ATOM 69 O HIS A 8 -10.420 -15.803 4.183 1.00 0.00 O ATOM 70 CB HIS A 8 -9.315 -14.837 6.944 1.00 0.00 C ATOM 71 CG HIS A 8 -7.881 -15.270 6.747 1.00 0.00 C ATOM 72 ND1 HIS A 8 -6.927 -14.455 6.165 1.00 0.00 N ATOM 73 CD2 HIS A 8 -7.251 -16.437 7.062 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.777 -15.113 6.135 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.981 -16.342 6.691 1.00 0.00 N ATOM 0 H HIS A 8 -11.889 -14.584 6.178 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.337 -13.139 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.376 -14.212 7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.928 -15.719 7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.708 -17.294 7.534 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.843 -14.742 5.740 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.274 -17.068 6.803 1.00 0.00 H new ATOM 83 N TYR A 9 -8.831 -14.299 3.613 1.00 0.00 N ATOM 84 CA TYR A 9 -8.569 -14.901 2.316 1.00 0.00 C ATOM 85 C TYR A 9 -8.078 -16.341 2.469 1.00 0.00 C ATOM 86 O TYR A 9 -7.866 -16.813 3.585 1.00 0.00 O ATOM 87 CB TYR A 9 -7.461 -14.062 1.677 1.00 0.00 C ATOM 88 CG TYR A 9 -7.969 -12.833 0.920 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.058 -12.942 0.081 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.335 -11.616 1.075 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.537 -11.785 -0.633 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.814 -10.460 0.361 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.890 -10.601 -0.457 1.00 0.00 C ATOM 94 OH TYR A 9 -9.341 -9.510 -1.131 1.00 0.00 O ATOM 0 H TYR A 9 -8.268 -13.475 3.822 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.477 -14.923 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.771 -13.737 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.894 -14.690 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.552 -13.895 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.481 -11.531 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.389 -11.856 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.328 -9.502 0.473 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.784 -8.735 -0.908 1.00 0.00 H new ATOM 104 N ILE A 10 -7.910 -16.999 1.332 1.00 0.00 N ATOM 105 CA ILE A 10 -7.447 -18.377 1.325 1.00 0.00 C ATOM 106 C ILE A 10 -5.949 -18.409 1.634 1.00 0.00 C ATOM 107 O ILE A 10 -5.440 -19.400 2.153 1.00 0.00 O ATOM 108 CB ILE A 10 -7.818 -19.061 0.008 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.213 -18.318 -1.185 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.335 -19.215 -0.122 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.415 -19.270 -2.077 1.00 0.00 C ATOM 0 H ILE A 10 -8.086 -16.604 0.408 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.946 -18.950 2.106 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.392 -20.064 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.007 -17.849 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.564 -17.518 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.571 -19.704 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.711 -19.819 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.804 -18.232 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.996 -18.716 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.607 -19.719 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.072 -20.055 -2.451 1.00 0.00 H new ATOM 123 N PHE A 11 -5.285 -17.311 1.301 1.00 0.00 N ATOM 124 CA PHE A 11 -3.856 -17.201 1.537 1.00 0.00 C ATOM 125 C PHE A 11 -3.570 -16.394 2.806 1.00 0.00 C ATOM 126 O PHE A 11 -4.430 -15.656 3.283 1.00 0.00 O ATOM 127 CB PHE A 11 -3.259 -16.466 0.335 1.00 0.00 C ATOM 128 CG PHE A 11 -4.008 -15.188 -0.047 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.733 -14.021 0.595 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.950 -15.219 -1.029 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.427 -12.834 0.240 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.644 -14.032 -1.383 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.368 -12.865 -0.742 1.00 0.00 C ATOM 0 H PHE A 11 -5.711 -16.490 0.870 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.423 -18.193 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.221 -16.215 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.250 -17.140 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.987 -13.997 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.169 -16.146 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.208 -11.907 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.392 -14.056 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.896 -11.963 -1.013 1.00 0.00 H new ATOM 143 N PRO A 12 -2.326 -16.566 3.328 1.00 0.00 N ATOM 144 CA PRO A 12 -1.916 -15.863 4.532 1.00 0.00 C ATOM 145 C PRO A 12 -1.625 -14.390 4.233 1.00 0.00 C ATOM 146 O PRO A 12 -0.853 -14.078 3.328 1.00 0.00 O ATOM 147 CB PRO A 12 -0.697 -16.619 5.033 1.00 0.00 C ATOM 148 CG PRO A 12 -0.193 -17.429 3.850 1.00 0.00 C ATOM 149 CD PRO A 12 -1.281 -17.432 2.789 1.00 0.00 C ATOM 0 HA PRO A 12 -2.695 -15.842 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.069 -15.931 5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.957 -17.269 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.725 -16.995 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.043 -18.448 4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.907 -17.056 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.656 -18.440 2.609 1.00 0.00 H new ATOM 157 N HIS A 13 -2.257 -13.526 5.013 1.00 0.00 N ATOM 158 CA HIS A 13 -2.076 -12.094 4.844 1.00 0.00 C ATOM 159 C HIS A 13 -2.138 -11.404 6.208 1.00 0.00 C ATOM 160 O HIS A 13 -2.450 -12.039 7.215 1.00 0.00 O ATOM 161 CB HIS A 13 -3.093 -11.532 3.849 1.00 0.00 C ATOM 162 CG HIS A 13 -4.371 -11.044 4.486 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.945 -11.355 5.684 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -5.211 -10.128 3.878 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -6.073 -10.666 5.801 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -6.240 -9.905 4.681 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.895 -13.790 5.764 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.092 -11.896 4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.634 -10.708 3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.335 -12.304 3.118 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.054 -9.672 2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.748 -10.702 6.644 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.020 -9.275 4.495 1.00 0.00 H new ATOM 174 N ALA A 14 -1.834 -10.115 6.198 1.00 0.00 N ATOM 175 CA ALA A 14 -1.851 -9.333 7.423 1.00 0.00 C ATOM 176 C ALA A 14 -2.109 -7.864 7.081 1.00 0.00 C ATOM 177 O ALA A 14 -1.779 -7.411 5.986 1.00 0.00 O ATOM 178 CB ALA A 14 -0.534 -9.534 8.176 1.00 0.00 C ATOM 0 H ALA A 14 -1.574 -9.592 5.362 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.655 -9.665 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.547 -8.947 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.412 -10.589 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.297 -9.209 7.550 1.00 0.00 H new ATOM 184 N ARG A 15 -2.697 -7.161 8.037 1.00 0.00 N ATOM 185 CA ARG A 15 -3.002 -5.753 7.851 1.00 0.00 C ATOM 186 C ARG A 15 -2.242 -4.904 8.872 1.00 0.00 C ATOM 187 O ARG A 15 -2.784 -4.552 9.918 1.00 0.00 O ATOM 188 CB ARG A 15 -4.503 -5.491 7.997 1.00 0.00 C ATOM 189 CG ARG A 15 -5.205 -5.549 6.638 1.00 0.00 C ATOM 190 CD ARG A 15 -6.667 -5.973 6.794 1.00 0.00 C ATOM 191 NE ARG A 15 -7.527 -4.777 6.943 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.852 -4.824 7.138 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.477 -6.008 7.208 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.551 -3.688 7.260 1.00 0.00 N ATOM 0 H ARG A 15 -2.971 -7.540 8.943 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.692 -5.478 6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.941 -6.230 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.663 -4.513 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.155 -4.572 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.686 -6.252 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.981 -6.551 5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.776 -6.620 7.664 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.083 -3.860 6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.944 -6.872 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.485 -6.044 7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.075 -2.788 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.560 -3.723 7.408 1.00 0.00 H new ATOM 208 N ILE A 16 -0.998 -4.602 8.532 1.00 0.00 N ATOM 209 CA ILE A 16 -0.157 -3.802 9.407 1.00 0.00 C ATOM 210 C ILE A 16 -0.554 -2.330 9.282 1.00 0.00 C ATOM 211 O ILE A 16 -1.163 -1.930 8.291 1.00 0.00 O ATOM 212 CB ILE A 16 1.322 -4.067 9.119 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.779 -5.381 9.759 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.187 -2.884 9.557 1.00 0.00 C ATOM 215 CD1 ILE A 16 2.530 -6.250 8.748 1.00 0.00 C ATOM 0 H ILE A 16 -0.552 -4.896 7.663 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.311 -4.087 10.448 1.00 0.00 H new ATOM 0 HB ILE A 16 1.446 -4.174 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.424 -5.169 10.612 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.914 -5.924 10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.234 -3.099 9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.881 -1.989 9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.064 -2.720 10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.844 -7.177 9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.875 -6.480 7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.407 -5.713 8.387 1.00 0.00 H new ATOM 227 N LYS A 17 -0.191 -1.563 10.299 1.00 0.00 N ATOM 228 CA LYS A 17 -0.501 -0.145 10.316 1.00 0.00 C ATOM 229 C LYS A 17 0.790 0.658 10.142 1.00 0.00 C ATOM 230 O LYS A 17 1.855 0.230 10.586 1.00 0.00 O ATOM 231 CB LYS A 17 -1.285 0.219 11.578 1.00 0.00 C ATOM 232 CG LYS A 17 -0.517 1.230 12.430 1.00 0.00 C ATOM 233 CD LYS A 17 0.610 0.548 13.209 1.00 0.00 C ATOM 234 CE LYS A 17 0.296 0.509 14.706 1.00 0.00 C ATOM 235 NZ LYS A 17 1.545 0.431 15.496 1.00 0.00 N ATOM 0 H LYS A 17 0.316 -1.898 11.118 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.152 0.111 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.254 0.634 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.479 -0.681 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.102 2.009 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.200 1.719 13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.752 -0.467 12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.546 1.082 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.265 1.399 14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.336 -0.350 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.314 0.405 16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.066 -0.431 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.135 1.264 15.296 1.00 0.00 H new ATOM 249 N ILE A 18 0.654 1.807 9.497 1.00 0.00 N ATOM 250 CA ILE A 18 1.796 2.672 9.259 1.00 0.00 C ATOM 251 C ILE A 18 1.731 3.868 10.211 1.00 0.00 C ATOM 252 O ILE A 18 0.796 4.665 10.150 1.00 0.00 O ATOM 253 CB ILE A 18 1.874 3.065 7.783 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.697 1.843 6.881 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.172 3.818 7.483 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.881 0.884 7.019 1.00 0.00 C ATOM 0 H ILE A 18 -0.231 2.159 9.132 1.00 0.00 H new ATOM 0 HA ILE A 18 2.725 2.143 9.473 1.00 0.00 H new ATOM 0 HB ILE A 18 1.051 3.746 7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.773 1.326 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.603 2.163 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.202 4.085 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.215 4.724 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.025 3.182 7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.730 0.024 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.800 1.397 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.958 0.547 8.053 1.00 0.00 H new ATOM 268 N THR A 19 2.736 3.957 11.070 1.00 0.00 N ATOM 269 CA THR A 19 2.804 5.042 12.034 1.00 0.00 C ATOM 270 C THR A 19 3.881 6.050 11.626 1.00 0.00 C ATOM 271 O THR A 19 5.017 5.670 11.344 1.00 0.00 O ATOM 272 CB THR A 19 3.035 4.431 13.417 1.00 0.00 C ATOM 273 OG1 THR A 19 3.462 3.100 13.144 1.00 0.00 O ATOM 274 CG2 THR A 19 1.734 4.251 14.203 1.00 0.00 C ATOM 0 H THR A 19 3.510 3.295 11.118 1.00 0.00 H new ATOM 0 HA THR A 19 1.871 5.605 12.064 1.00 0.00 H new ATOM 0 HB THR A 19 3.717 5.066 13.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.399 3.110 12.856 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.955 3.814 15.177 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.255 5.220 14.340 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.065 3.590 13.652 1.00 0.00 H new ATOM 282 N ARG A 20 3.487 7.314 11.609 1.00 0.00 N ATOM 283 CA ARG A 20 4.405 8.379 11.242 1.00 0.00 C ATOM 284 C ARG A 20 5.175 8.864 12.471 1.00 0.00 C ATOM 285 O ARG A 20 4.592 9.059 13.536 1.00 0.00 O ATOM 286 CB ARG A 20 3.657 9.559 10.618 1.00 0.00 C ATOM 287 CG ARG A 20 3.376 9.308 9.135 1.00 0.00 C ATOM 288 CD ARG A 20 3.711 10.544 8.296 1.00 0.00 C ATOM 289 NE ARG A 20 4.588 10.165 7.166 1.00 0.00 N ATOM 290 CZ ARG A 20 5.138 11.043 6.316 1.00 0.00 C ATOM 291 NH1 ARG A 20 4.904 12.355 6.462 1.00 0.00 N ATOM 292 NH2 ARG A 20 5.921 10.609 5.320 1.00 0.00 N ATOM 0 H ARG A 20 2.544 7.625 11.843 1.00 0.00 H new ATOM 0 HA ARG A 20 5.103 7.977 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.718 9.720 11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.247 10.469 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.964 8.458 8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.327 9.046 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.794 10.998 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.205 11.292 8.916 1.00 0.00 H new ATOM 0 HE ARG A 20 4.786 9.174 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.307 12.685 7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.323 13.023 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.098 9.611 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.340 11.277 4.673 1.00 0.00 H new ATOM 306 N ASP A 21 6.474 9.045 12.283 1.00 0.00 N ATOM 307 CA ASP A 21 7.330 9.505 13.363 1.00 0.00 C ATOM 308 C ASP A 21 8.611 10.099 12.776 1.00 0.00 C ATOM 309 O ASP A 21 9.513 9.365 12.374 1.00 0.00 O ATOM 310 CB ASP A 21 7.724 8.347 14.284 1.00 0.00 C ATOM 311 CG ASP A 21 7.052 8.356 15.657 1.00 0.00 C ATOM 312 OD1 ASP A 21 7.505 9.153 16.507 1.00 0.00 O ATOM 313 OD2 ASP A 21 6.099 7.564 15.828 1.00 0.00 O ATOM 0 H ASP A 21 6.955 8.881 11.398 1.00 0.00 H new ATOM 0 HA ASP A 21 6.779 10.251 13.936 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.484 7.408 13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.805 8.366 14.425 1.00 0.00 H new ATOM 318 N SER A 22 8.652 11.423 12.745 1.00 0.00 N ATOM 319 CA SER A 22 9.808 12.124 12.213 1.00 0.00 C ATOM 320 C SER A 22 9.578 13.635 12.277 1.00 0.00 C ATOM 321 O SER A 22 9.133 14.241 11.303 1.00 0.00 O ATOM 322 CB SER A 22 10.101 11.691 10.775 1.00 0.00 C ATOM 323 OG SER A 22 11.499 11.651 10.504 1.00 0.00 O ATOM 0 H SER A 22 7.903 12.029 13.080 1.00 0.00 H new ATOM 0 HA SER A 22 10.674 11.869 12.823 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.669 10.706 10.598 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.617 12.380 10.083 1.00 0.00 H new ATOM 0 HG SER A 22 11.645 11.369 9.577 1.00 0.00 H new ATOM 329 N LYS A 23 9.892 14.201 13.433 1.00 0.00 N ATOM 330 CA LYS A 23 9.725 15.630 13.637 1.00 0.00 C ATOM 331 C LYS A 23 8.250 15.997 13.461 1.00 0.00 C ATOM 332 O LYS A 23 7.755 16.073 12.337 1.00 0.00 O ATOM 333 CB LYS A 23 10.667 16.415 12.722 1.00 0.00 C ATOM 334 CG LYS A 23 11.484 17.433 13.520 1.00 0.00 C ATOM 335 CD LYS A 23 12.564 18.075 12.646 1.00 0.00 C ATOM 336 CE LYS A 23 13.794 17.170 12.541 1.00 0.00 C ATOM 337 NZ LYS A 23 14.184 16.987 11.125 1.00 0.00 N ATOM 0 H LYS A 23 10.261 13.696 14.238 1.00 0.00 H new ATOM 0 HA LYS A 23 10.003 15.905 14.654 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.338 15.727 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.089 16.929 11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.824 18.205 13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.948 16.942 14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.164 18.268 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.852 19.039 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.622 17.606 13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.580 16.202 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.020 16.371 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.398 16.550 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.408 17.911 10.704 1.00 0.00 H new ATOM 351 N ASP A 24 7.589 16.214 14.588 1.00 0.00 N ATOM 352 CA ASP A 24 6.181 16.572 14.573 1.00 0.00 C ATOM 353 C ASP A 24 5.379 15.443 13.921 1.00 0.00 C ATOM 354 O ASP A 24 5.936 14.620 13.196 1.00 0.00 O ATOM 355 CB ASP A 24 5.944 17.847 13.762 1.00 0.00 C ATOM 356 CG ASP A 24 5.803 19.125 14.594 1.00 0.00 C ATOM 357 OD1 ASP A 24 4.685 19.344 15.109 1.00 0.00 O ATOM 358 OD2 ASP A 24 6.815 19.852 14.695 1.00 0.00 O ATOM 0 H ASP A 24 8.003 16.149 15.518 1.00 0.00 H new ATOM 0 HA ASP A 24 5.865 16.736 15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.771 17.975 13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.041 17.718 13.166 1.00 0.00 H new ATOM 363 N HIS A 25 4.085 15.441 14.203 1.00 0.00 N ATOM 364 CA HIS A 25 3.202 14.426 13.652 1.00 0.00 C ATOM 365 C HIS A 25 2.745 14.846 12.254 1.00 0.00 C ATOM 366 O HIS A 25 3.033 14.165 11.272 1.00 0.00 O ATOM 367 CB HIS A 25 2.033 14.152 14.600 1.00 0.00 C ATOM 368 CG HIS A 25 2.452 13.704 15.981 1.00 0.00 C ATOM 369 ND1 HIS A 25 2.094 14.384 17.130 1.00 0.00 N ATOM 370 CD2 HIS A 25 3.204 12.638 16.381 1.00 0.00 C ATOM 371 CE1 HIS A 25 2.612 13.748 18.171 1.00 0.00 C ATOM 372 NE2 HIS A 25 3.299 12.666 17.704 1.00 0.00 N ATOM 0 H HIS A 25 3.626 16.125 14.805 1.00 0.00 H new ATOM 0 HA HIS A 25 3.742 13.485 13.552 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.432 15.057 14.690 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.393 13.387 14.160 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.647 11.898 15.731 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.508 14.036 19.207 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.803 11.990 18.278 1.00 0.00 H new ATOM 380 N THR A 26 2.040 15.968 12.209 1.00 0.00 N ATOM 381 CA THR A 26 1.540 16.488 10.947 1.00 0.00 C ATOM 382 C THR A 26 2.689 17.060 10.115 1.00 0.00 C ATOM 383 O THR A 26 2.958 18.259 10.164 1.00 0.00 O ATOM 384 CB THR A 26 0.446 17.510 11.258 1.00 0.00 C ATOM 385 OG1 THR A 26 1.162 18.667 11.684 1.00 0.00 O ATOM 386 CG2 THR A 26 -0.392 17.120 12.477 1.00 0.00 C ATOM 0 H THR A 26 1.803 16.531 13.026 1.00 0.00 H new ATOM 0 HA THR A 26 1.102 15.698 10.338 1.00 0.00 H new ATOM 0 HB THR A 26 -0.205 17.619 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.619 19.070 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.154 17.880 12.653 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.873 16.159 12.295 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.253 17.043 13.352 1.00 0.00 H new ATOM 394 N VAL A 27 3.335 16.176 9.369 1.00 0.00 N ATOM 395 CA VAL A 27 4.448 16.578 8.527 1.00 0.00 C ATOM 396 C VAL A 27 3.993 16.603 7.066 1.00 0.00 C ATOM 397 O VAL A 27 3.310 15.689 6.608 1.00 0.00 O ATOM 398 CB VAL A 27 5.645 15.655 8.764 1.00 0.00 C ATOM 399 CG1 VAL A 27 6.777 15.960 7.781 1.00 0.00 C ATOM 400 CG2 VAL A 27 6.134 15.752 10.210 1.00 0.00 C ATOM 0 H VAL A 27 3.108 15.182 9.330 1.00 0.00 H new ATOM 0 HA VAL A 27 4.776 17.585 8.784 1.00 0.00 H new ATOM 0 HB VAL A 27 5.317 14.630 8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.615 15.290 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.422 15.816 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.102 16.993 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.985 15.086 10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.436 16.777 10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.330 15.462 10.886 1.00 0.00 H new ATOM 410 N SER A 28 4.392 17.661 6.374 1.00 0.00 N ATOM 411 CA SER A 28 4.034 17.818 4.974 1.00 0.00 C ATOM 412 C SER A 28 5.048 17.088 4.090 1.00 0.00 C ATOM 413 O SER A 28 6.255 17.233 4.275 1.00 0.00 O ATOM 414 CB SER A 28 3.958 19.295 4.587 1.00 0.00 C ATOM 415 OG SER A 28 3.800 19.472 3.182 1.00 0.00 O ATOM 0 H SER A 28 4.959 18.417 6.757 1.00 0.00 H new ATOM 0 HA SER A 28 3.047 17.380 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.123 19.763 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.864 19.803 4.917 1.00 0.00 H new ATOM 0 HG SER A 28 3.754 20.429 2.976 1.00 0.00 H new ATOM 421 N GLY A 29 4.519 16.321 3.148 1.00 0.00 N ATOM 422 CA GLY A 29 5.363 15.570 2.235 1.00 0.00 C ATOM 423 C GLY A 29 4.520 14.794 1.221 1.00 0.00 C ATOM 424 O GLY A 29 3.534 15.315 0.700 1.00 0.00 O ATOM 0 H GLY A 29 3.517 16.204 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.033 16.251 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.989 14.878 2.799 1.00 0.00 H new ATOM 428 N ASN A 30 4.938 13.562 0.970 1.00 0.00 N ATOM 429 CA ASN A 30 4.232 12.710 0.028 1.00 0.00 C ATOM 430 C ASN A 30 4.227 11.272 0.553 1.00 0.00 C ATOM 431 O ASN A 30 5.276 10.729 0.895 1.00 0.00 O ATOM 432 CB ASN A 30 4.920 12.713 -1.338 1.00 0.00 C ATOM 433 CG ASN A 30 4.180 13.620 -2.324 1.00 0.00 C ATOM 434 OD1 ASN A 30 3.141 13.275 -2.864 1.00 0.00 O ATOM 435 ND2 ASN A 30 4.770 14.794 -2.526 1.00 0.00 N ATOM 0 H ASN A 30 5.756 13.133 1.402 1.00 0.00 H new ATOM 0 HA ASN A 30 3.217 13.092 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.950 13.052 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.959 11.697 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.354 15.471 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.639 15.018 -2.041 1.00 0.00 H new ATOM 442 N GLY A 31 3.035 10.697 0.598 1.00 0.00 N ATOM 443 CA GLY A 31 2.879 9.333 1.074 1.00 0.00 C ATOM 444 C GLY A 31 3.536 9.153 2.445 1.00 0.00 C ATOM 445 O GLY A 31 4.185 10.067 2.951 1.00 0.00 O ATOM 0 H GLY A 31 2.167 11.151 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.819 9.085 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.325 8.641 0.359 1.00 0.00 H new ATOM 449 N LEU A 32 3.344 7.967 3.005 1.00 0.00 N ATOM 450 CA LEU A 32 3.910 7.655 4.307 1.00 0.00 C ATOM 451 C LEU A 32 5.291 7.024 4.120 1.00 0.00 C ATOM 452 O LEU A 32 5.502 5.866 4.479 1.00 0.00 O ATOM 453 CB LEU A 32 2.943 6.791 5.117 1.00 0.00 C ATOM 454 CG LEU A 32 1.598 7.434 5.465 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.585 6.378 5.912 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.772 8.539 6.510 1.00 0.00 C ATOM 0 H LEU A 32 2.805 7.212 2.581 1.00 0.00 H new ATOM 0 HA LEU A 32 4.052 8.565 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.751 5.875 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.436 6.502 6.045 1.00 0.00 H new ATOM 0 HG LEU A 32 1.200 7.902 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.362 6.861 6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.431 5.659 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.964 5.861 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.802 8.979 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.202 8.117 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.436 9.309 6.118 1.00 0.00 H new ATOM 468 N GLY A 33 6.196 7.812 3.559 1.00 0.00 N ATOM 469 CA GLY A 33 7.550 7.344 3.320 1.00 0.00 C ATOM 470 C GLY A 33 7.550 5.908 2.792 1.00 0.00 C ATOM 471 O GLY A 33 8.395 5.102 3.174 1.00 0.00 O ATOM 0 H GLY A 33 6.018 8.772 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.043 7.999 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.125 7.395 4.245 1.00 0.00 H new ATOM 475 N ILE A 34 6.591 5.634 1.919 1.00 0.00 N ATOM 476 CA ILE A 34 6.469 4.309 1.334 1.00 0.00 C ATOM 477 C ILE A 34 6.321 4.438 -0.183 1.00 0.00 C ATOM 478 O ILE A 34 5.579 5.292 -0.668 1.00 0.00 O ATOM 479 CB ILE A 34 5.331 3.533 1.999 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.361 2.058 1.591 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.977 4.181 1.701 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.478 1.216 2.514 1.00 0.00 C ATOM 0 H ILE A 34 5.892 6.306 1.603 1.00 0.00 H new ATOM 0 HA ILE A 34 7.372 3.726 1.518 1.00 0.00 H new ATOM 0 HB ILE A 34 5.477 3.573 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.019 1.955 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.386 1.688 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.186 3.609 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.971 5.203 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.809 4.193 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.517 0.172 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.837 1.302 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.450 1.573 2.459 1.00 0.00 H new ATOM 494 N ARG A 35 7.040 3.579 -0.891 1.00 0.00 N ATOM 495 CA ARG A 35 6.998 3.587 -2.343 1.00 0.00 C ATOM 496 C ARG A 35 6.264 2.348 -2.860 1.00 0.00 C ATOM 497 O ARG A 35 6.791 1.238 -2.796 1.00 0.00 O ATOM 498 CB ARG A 35 8.409 3.618 -2.934 1.00 0.00 C ATOM 499 CG ARG A 35 8.871 5.057 -3.173 1.00 0.00 C ATOM 500 CD ARG A 35 8.275 5.617 -4.467 1.00 0.00 C ATOM 501 NE ARG A 35 9.308 6.363 -5.219 1.00 0.00 N ATOM 502 CZ ARG A 35 9.065 7.069 -6.332 1.00 0.00 C ATOM 503 NH1 ARG A 35 7.822 7.128 -6.829 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.065 7.714 -6.948 1.00 0.00 N ATOM 0 H ARG A 35 7.655 2.873 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 35 6.465 4.486 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.102 3.117 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.426 3.066 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.574 5.683 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.959 5.089 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.884 4.804 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.436 6.274 -4.236 1.00 0.00 H new ATOM 0 HE ARG A 35 10.265 6.338 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.061 6.636 -6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.636 7.665 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.011 7.668 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.880 8.251 -7.795 1.00 0.00 H new ATOM 518 N ILE A 36 5.058 2.579 -3.359 1.00 0.00 N ATOM 519 CA ILE A 36 4.246 1.495 -3.886 1.00 0.00 C ATOM 520 C ILE A 36 3.904 1.785 -5.349 1.00 0.00 C ATOM 521 O ILE A 36 3.311 2.816 -5.659 1.00 0.00 O ATOM 522 CB ILE A 36 3.019 1.266 -3.001 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.428 0.761 -1.617 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.020 0.329 -3.682 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.234 0.758 -0.659 1.00 0.00 C ATOM 0 H ILE A 36 4.624 3.501 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 36 4.803 0.558 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 36 2.517 2.223 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.835 -0.247 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.220 1.393 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.157 0.183 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.694 0.768 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.496 -0.632 -3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.552 0.395 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.844 1.771 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.454 0.106 -1.052 1.00 0.00 H new ATOM 537 N VAL A 37 4.294 0.856 -6.209 1.00 0.00 N ATOM 538 CA VAL A 37 4.037 0.998 -7.632 1.00 0.00 C ATOM 539 C VAL A 37 2.810 0.165 -8.010 1.00 0.00 C ATOM 540 O VAL A 37 2.744 -1.024 -7.701 1.00 0.00 O ATOM 541 CB VAL A 37 5.287 0.620 -8.430 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.942 0.367 -9.900 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.368 1.693 -8.298 1.00 0.00 C ATOM 0 H VAL A 37 4.786 0.002 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 37 3.813 2.036 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 37 5.683 -0.306 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.847 0.100 -10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.223 -0.449 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.510 1.269 -10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.245 1.399 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.987 2.642 -8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.644 1.804 -7.249 1.00 0.00 H new ATOM 553 N GLY A 38 1.871 0.821 -8.674 1.00 0.00 N ATOM 554 CA GLY A 38 0.650 0.156 -9.097 1.00 0.00 C ATOM 555 C GLY A 38 0.753 -0.301 -10.553 1.00 0.00 C ATOM 556 O GLY A 38 1.834 -0.282 -11.139 1.00 0.00 O ATOM 0 H GLY A 38 1.930 1.807 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.458 -0.704 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.196 0.834 -8.984 1.00 0.00 H new ATOM 560 N GLY A 39 -0.388 -0.703 -11.095 1.00 0.00 N ATOM 561 CA GLY A 39 -0.441 -1.164 -12.472 1.00 0.00 C ATOM 562 C GLY A 39 0.649 -2.204 -12.744 1.00 0.00 C ATOM 563 O GLY A 39 1.252 -2.210 -13.815 1.00 0.00 O ATOM 0 H GLY A 39 -1.283 -0.719 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.420 -1.596 -12.677 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.318 -0.318 -13.148 1.00 0.00 H new ATOM 567 N LYS A 40 0.868 -3.057 -11.754 1.00 0.00 N ATOM 568 CA LYS A 40 1.874 -4.099 -11.872 1.00 0.00 C ATOM 569 C LYS A 40 1.185 -5.462 -11.952 1.00 0.00 C ATOM 570 O LYS A 40 0.191 -5.700 -11.266 1.00 0.00 O ATOM 571 CB LYS A 40 2.894 -3.990 -10.737 1.00 0.00 C ATOM 572 CG LYS A 40 4.178 -4.749 -11.080 1.00 0.00 C ATOM 573 CD LYS A 40 5.067 -3.928 -12.015 1.00 0.00 C ATOM 574 CE LYS A 40 6.143 -4.804 -12.657 1.00 0.00 C ATOM 575 NZ LYS A 40 5.956 -4.865 -14.125 1.00 0.00 N ATOM 0 H LYS A 40 0.366 -3.048 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 40 2.443 -3.976 -12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.126 -2.941 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.465 -4.390 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.723 -4.981 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.928 -5.699 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.457 -3.468 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.537 -3.118 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.131 -4.404 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.100 -5.809 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.695 -5.464 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.021 -5.267 -14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.020 -3.906 -14.523 1.00 0.00 H new ATOM 589 N GLU A 41 1.737 -6.321 -12.795 1.00 0.00 N ATOM 590 CA GLU A 41 1.188 -7.654 -12.973 1.00 0.00 C ATOM 591 C GLU A 41 1.560 -8.544 -11.786 1.00 0.00 C ATOM 592 O GLU A 41 2.722 -8.593 -11.382 1.00 0.00 O ATOM 593 CB GLU A 41 1.661 -8.272 -14.290 1.00 0.00 C ATOM 594 CG GLU A 41 0.724 -7.895 -15.440 1.00 0.00 C ATOM 595 CD GLU A 41 1.349 -8.243 -16.793 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.042 -9.281 -16.847 1.00 0.00 O ATOM 597 OE2 GLU A 41 1.119 -7.463 -17.742 1.00 0.00 O ATOM 0 H GLU A 41 2.560 -6.120 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 41 0.102 -7.574 -13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.672 -7.931 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.704 -9.357 -14.192 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.225 -8.420 -15.328 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.505 -6.828 -15.400 1.00 0.00 H new ATOM 604 N ILE A 42 0.554 -9.227 -11.260 1.00 0.00 N ATOM 605 CA ILE A 42 0.761 -10.113 -10.127 1.00 0.00 C ATOM 606 C ILE A 42 1.030 -11.531 -10.636 1.00 0.00 C ATOM 607 O ILE A 42 0.401 -11.979 -11.593 1.00 0.00 O ATOM 608 CB ILE A 42 -0.416 -10.021 -9.153 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.731 -8.564 -8.810 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.157 -10.862 -7.900 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.218 -8.385 -8.495 1.00 0.00 C ATOM 0 H ILE A 42 -0.408 -9.185 -11.598 1.00 0.00 H new ATOM 0 HA ILE A 42 1.639 -9.807 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.298 -10.434 -9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.134 -8.251 -7.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.452 -7.921 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.008 -10.780 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.019 -11.905 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.741 -10.501 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.416 -7.340 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.811 -8.676 -9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.488 -9.011 -7.644 1.00 0.00 H new ATOM 623 N PRO A 43 1.989 -12.214 -9.955 1.00 0.00 N ATOM 624 CA PRO A 43 2.348 -13.572 -10.328 1.00 0.00 C ATOM 625 C PRO A 43 1.274 -14.565 -9.882 1.00 0.00 C ATOM 626 O PRO A 43 0.879 -14.577 -8.717 1.00 0.00 O ATOM 627 CB PRO A 43 3.695 -13.817 -9.670 1.00 0.00 C ATOM 628 CG PRO A 43 3.823 -12.767 -8.578 1.00 0.00 C ATOM 629 CD PRO A 43 2.753 -11.714 -8.816 1.00 0.00 C ATOM 0 HA PRO A 43 2.417 -13.708 -11.407 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.749 -14.823 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.505 -13.728 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.699 -13.222 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.815 -12.315 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.119 -11.588 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.195 -10.741 -9.032 1.00 0.00 H new ATOM 637 N GLY A 44 0.831 -15.376 -10.832 1.00 0.00 N ATOM 638 CA GLY A 44 -0.190 -16.370 -10.551 1.00 0.00 C ATOM 639 C GLY A 44 -1.567 -15.889 -11.013 1.00 0.00 C ATOM 640 O GLY A 44 -2.343 -16.662 -11.574 1.00 0.00 O ATOM 0 H GLY A 44 1.161 -15.365 -11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.060 -17.305 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.214 -16.579 -9.482 1.00 0.00 H new ATOM 644 N HIS A 45 -1.828 -14.615 -10.758 1.00 0.00 N ATOM 645 CA HIS A 45 -3.099 -14.022 -11.140 1.00 0.00 C ATOM 646 C HIS A 45 -3.292 -14.152 -12.652 1.00 0.00 C ATOM 647 O HIS A 45 -2.333 -14.046 -13.416 1.00 0.00 O ATOM 648 CB HIS A 45 -3.190 -12.574 -10.653 1.00 0.00 C ATOM 649 CG HIS A 45 -4.312 -12.326 -9.673 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.583 -11.948 -10.070 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.340 -12.404 -8.312 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.335 -11.808 -8.987 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.562 -12.091 -7.899 1.00 0.00 N ATOM 0 H HIS A 45 -1.182 -13.978 -10.292 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.915 -14.559 -10.657 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.245 -12.299 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.322 -11.919 -11.514 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.509 -12.675 -7.678 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.376 -11.521 -8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.872 -12.066 -6.928 1.00 0.00 H new ATOM 661 N SER A 46 -4.538 -14.379 -13.040 1.00 0.00 N ATOM 662 CA SER A 46 -4.869 -14.524 -14.447 1.00 0.00 C ATOM 663 C SER A 46 -4.967 -13.147 -15.107 1.00 0.00 C ATOM 664 O SER A 46 -6.024 -12.517 -15.083 1.00 0.00 O ATOM 665 CB SER A 46 -6.179 -15.294 -14.629 1.00 0.00 C ATOM 666 OG SER A 46 -5.954 -16.682 -14.865 1.00 0.00 O ATOM 0 H SER A 46 -5.331 -14.466 -12.404 1.00 0.00 H new ATOM 0 HA SER A 46 -4.074 -15.094 -14.927 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.797 -15.173 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.736 -14.870 -15.464 1.00 0.00 H new ATOM 0 HG SER A 46 -6.814 -17.139 -14.974 1.00 0.00 H new ATOM 672 N GLY A 47 -3.853 -12.720 -15.682 1.00 0.00 N ATOM 673 CA GLY A 47 -3.801 -11.430 -16.347 1.00 0.00 C ATOM 674 C GLY A 47 -4.486 -10.352 -15.506 1.00 0.00 C ATOM 675 O GLY A 47 -5.545 -9.848 -15.879 1.00 0.00 O ATOM 0 H GLY A 47 -2.979 -13.245 -15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.763 -11.151 -16.527 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.286 -11.499 -17.321 1.00 0.00 H new ATOM 679 N GLU A 48 -3.855 -10.028 -14.387 1.00 0.00 N ATOM 680 CA GLU A 48 -4.391 -9.019 -13.490 1.00 0.00 C ATOM 681 C GLU A 48 -3.263 -8.137 -12.949 1.00 0.00 C ATOM 682 O GLU A 48 -2.150 -8.612 -12.731 1.00 0.00 O ATOM 683 CB GLU A 48 -5.180 -9.663 -12.348 1.00 0.00 C ATOM 684 CG GLU A 48 -6.051 -8.629 -11.632 1.00 0.00 C ATOM 685 CD GLU A 48 -7.478 -8.637 -12.187 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.617 -8.366 -13.398 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.396 -8.916 -11.385 1.00 0.00 O ATOM 0 H GLU A 48 -2.977 -10.447 -14.081 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.080 -8.389 -14.053 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.808 -10.463 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.491 -10.118 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.071 -8.842 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.616 -7.637 -11.751 1.00 0.00 H new ATOM 694 N ILE A 49 -3.593 -6.869 -12.747 1.00 0.00 N ATOM 695 CA ILE A 49 -2.621 -5.917 -12.236 1.00 0.00 C ATOM 696 C ILE A 49 -2.973 -5.565 -10.789 1.00 0.00 C ATOM 697 O ILE A 49 -4.063 -5.880 -10.317 1.00 0.00 O ATOM 698 CB ILE A 49 -2.526 -4.701 -13.159 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.913 -4.263 -13.635 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.578 -4.973 -14.329 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.852 -2.900 -14.324 1.00 0.00 C ATOM 0 H ILE A 49 -4.518 -6.480 -12.928 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.624 -6.358 -12.225 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.105 -3.873 -12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.316 -5.005 -14.325 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.594 -4.215 -12.785 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.529 -4.093 -14.970 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.583 -5.199 -13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.946 -5.821 -14.906 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.851 -2.613 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.472 -2.155 -13.624 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.189 -2.958 -15.187 1.00 0.00 H new ATOM 713 N GLY A 50 -2.027 -4.916 -10.125 1.00 0.00 N ATOM 714 CA GLY A 50 -2.223 -4.517 -8.742 1.00 0.00 C ATOM 715 C GLY A 50 -1.154 -3.514 -8.304 1.00 0.00 C ATOM 716 O GLY A 50 -0.642 -2.750 -9.122 1.00 0.00 O ATOM 0 H GLY A 50 -1.123 -4.657 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.212 -4.074 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.188 -5.396 -8.098 1.00 0.00 H new ATOM 720 N ALA A 51 -0.848 -3.548 -7.016 1.00 0.00 N ATOM 721 CA ALA A 51 0.152 -2.652 -6.459 1.00 0.00 C ATOM 722 C ALA A 51 1.040 -3.428 -5.485 1.00 0.00 C ATOM 723 O ALA A 51 0.575 -4.345 -4.811 1.00 0.00 O ATOM 724 CB ALA A 51 -0.544 -1.463 -5.792 1.00 0.00 C ATOM 0 H ALA A 51 -1.275 -4.182 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 51 0.794 -2.256 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.205 -0.791 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.139 -0.928 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.194 -1.823 -4.994 1.00 0.00 H new ATOM 730 N TYR A 52 2.304 -3.030 -5.443 1.00 0.00 N ATOM 731 CA TYR A 52 3.263 -3.677 -4.562 1.00 0.00 C ATOM 732 C TYR A 52 4.358 -2.699 -4.132 1.00 0.00 C ATOM 733 O TYR A 52 4.679 -1.761 -4.860 1.00 0.00 O ATOM 734 CB TYR A 52 3.895 -4.802 -5.382 1.00 0.00 C ATOM 735 CG TYR A 52 4.957 -4.327 -6.376 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.576 -3.731 -7.561 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.296 -4.497 -6.089 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.575 -3.284 -8.497 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.295 -4.050 -7.025 1.00 0.00 C ATOM 740 CZ TYR A 52 6.886 -3.466 -8.182 1.00 0.00 C ATOM 741 OH TYR A 52 7.829 -3.045 -9.066 1.00 0.00 O ATOM 0 H TYR A 52 2.686 -2.269 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 52 2.771 -4.042 -3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.346 -5.524 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.110 -5.325 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.528 -3.600 -7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.595 -4.965 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.290 -2.815 -9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.346 -4.176 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 52 8.721 -3.238 -8.709 1.00 0.00 H new ATOM 751 N ILE A 53 4.900 -2.951 -2.949 1.00 0.00 N ATOM 752 CA ILE A 53 5.952 -2.104 -2.414 1.00 0.00 C ATOM 753 C ILE A 53 7.204 -2.242 -3.282 1.00 0.00 C ATOM 754 O ILE A 53 7.777 -3.327 -3.385 1.00 0.00 O ATOM 755 CB ILE A 53 6.192 -2.418 -0.935 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.915 -2.213 -0.117 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.363 -1.603 -0.384 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.787 -3.276 0.975 1.00 0.00 C ATOM 0 H ILE A 53 4.630 -3.729 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 53 5.653 -1.057 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 53 6.464 -3.470 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.924 -1.221 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.047 -2.256 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.512 -1.845 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.268 -1.842 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.145 -0.540 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.871 -3.107 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.754 -4.265 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.645 -3.214 1.645 1.00 0.00 H new ATOM 770 N ALA A 54 7.593 -1.129 -3.885 1.00 0.00 N ATOM 771 CA ALA A 54 8.767 -1.112 -4.741 1.00 0.00 C ATOM 772 C ALA A 54 10.026 -1.118 -3.873 1.00 0.00 C ATOM 773 O ALA A 54 10.914 -1.948 -4.066 1.00 0.00 O ATOM 774 CB ALA A 54 8.705 0.103 -5.669 1.00 0.00 C ATOM 0 H ALA A 54 7.116 -0.232 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 54 8.796 -2.002 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.586 0.116 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.808 0.045 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.677 1.015 -5.073 1.00 0.00 H new ATOM 780 N LYS A 55 10.065 -0.184 -2.933 1.00 0.00 N ATOM 781 CA LYS A 55 11.201 -0.072 -2.035 1.00 0.00 C ATOM 782 C LYS A 55 10.775 0.680 -0.772 1.00 0.00 C ATOM 783 O LYS A 55 10.254 1.792 -0.853 1.00 0.00 O ATOM 784 CB LYS A 55 12.393 0.562 -2.754 1.00 0.00 C ATOM 785 CG LYS A 55 13.246 1.382 -1.785 1.00 0.00 C ATOM 786 CD LYS A 55 13.972 0.474 -0.790 1.00 0.00 C ATOM 787 CE LYS A 55 14.951 1.275 0.069 1.00 0.00 C ATOM 788 NZ LYS A 55 15.586 0.403 1.082 1.00 0.00 N ATOM 0 H LYS A 55 9.327 0.502 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 55 11.536 -1.060 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.003 -0.217 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.037 1.202 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.974 1.970 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.614 2.087 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.245 -0.025 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.510 -0.306 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.716 1.724 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.426 2.093 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.248 0.963 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.853 -0.005 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.104 -0.363 0.605 1.00 0.00 H new ATOM 802 N ILE A 56 11.011 0.043 0.365 1.00 0.00 N ATOM 803 CA ILE A 56 10.659 0.638 1.643 1.00 0.00 C ATOM 804 C ILE A 56 11.658 1.746 1.978 1.00 0.00 C ATOM 805 O ILE A 56 12.746 1.474 2.483 1.00 0.00 O ATOM 806 CB ILE A 56 10.549 -0.440 2.724 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.211 -1.175 2.631 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.782 0.153 4.115 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.405 -2.687 2.772 1.00 0.00 C ATOM 0 H ILE A 56 11.442 -0.879 0.428 1.00 0.00 H new ATOM 0 HA ILE A 56 9.675 1.103 1.588 1.00 0.00 H new ATOM 0 HB ILE A 56 11.334 -1.177 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.540 -0.816 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.736 -0.953 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.698 -0.634 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.778 0.593 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.036 0.923 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.438 -3.186 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.057 -3.046 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.858 -2.907 3.739 1.00 0.00 H new ATOM 821 N LEU A 57 11.254 2.973 1.684 1.00 0.00 N ATOM 822 CA LEU A 57 12.101 4.124 1.948 1.00 0.00 C ATOM 823 C LEU A 57 12.795 3.941 3.300 1.00 0.00 C ATOM 824 O LEU A 57 12.275 3.260 4.181 1.00 0.00 O ATOM 825 CB LEU A 57 11.294 5.419 1.842 1.00 0.00 C ATOM 826 CG LEU A 57 11.472 6.215 0.547 1.00 0.00 C ATOM 827 CD1 LEU A 57 10.554 5.683 -0.555 1.00 0.00 C ATOM 828 CD2 LEU A 57 11.265 7.711 0.791 1.00 0.00 C ATOM 0 H LEU A 57 10.351 3.195 1.265 1.00 0.00 H new ATOM 0 HA LEU A 57 12.884 4.201 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.237 5.176 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.563 6.062 2.680 1.00 0.00 H new ATOM 0 HG LEU A 57 12.498 6.082 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.701 6.266 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.791 4.638 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.515 5.765 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.397 8.254 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.258 7.882 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.993 8.065 1.521 1.00 0.00 H new ATOM 840 N PRO A 58 13.990 4.578 3.422 1.00 0.00 N ATOM 841 CA PRO A 58 14.762 4.493 4.650 1.00 0.00 C ATOM 842 C PRO A 58 14.146 5.364 5.746 1.00 0.00 C ATOM 843 O PRO A 58 13.520 6.383 5.456 1.00 0.00 O ATOM 844 CB PRO A 58 16.166 4.927 4.265 1.00 0.00 C ATOM 845 CG PRO A 58 16.024 5.681 2.952 1.00 0.00 C ATOM 846 CD PRO A 58 14.638 5.393 2.397 1.00 0.00 C ATOM 0 HA PRO A 58 14.773 3.487 5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.603 5.563 5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.824 4.065 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.157 6.751 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.791 5.365 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.085 6.314 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.694 4.863 1.446 1.00 0.00 H new ATOM 854 N GLY A 59 14.344 4.933 6.983 1.00 0.00 N ATOM 855 CA GLY A 59 13.816 5.662 8.123 1.00 0.00 C ATOM 856 C GLY A 59 12.427 6.226 7.818 1.00 0.00 C ATOM 857 O GLY A 59 12.047 7.270 8.346 1.00 0.00 O ATOM 0 H GLY A 59 14.863 4.088 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.762 5.001 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.493 6.475 8.384 1.00 0.00 H new ATOM 861 N GLY A 60 11.706 5.511 6.967 1.00 0.00 N ATOM 862 CA GLY A 60 10.368 5.927 6.585 1.00 0.00 C ATOM 863 C GLY A 60 9.319 5.343 7.535 1.00 0.00 C ATOM 864 O GLY A 60 9.658 4.613 8.465 1.00 0.00 O ATOM 0 H GLY A 60 12.024 4.645 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.305 7.015 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.160 5.604 5.565 1.00 0.00 H new ATOM 868 N SER A 61 8.068 5.686 7.266 1.00 0.00 N ATOM 869 CA SER A 61 6.969 5.204 8.085 1.00 0.00 C ATOM 870 C SER A 61 6.754 3.708 7.845 1.00 0.00 C ATOM 871 O SER A 61 6.244 3.003 8.715 1.00 0.00 O ATOM 872 CB SER A 61 5.683 5.979 7.792 1.00 0.00 C ATOM 873 OG SER A 61 5.828 7.372 8.054 1.00 0.00 O ATOM 0 H SER A 61 7.791 6.291 6.493 1.00 0.00 H new ATOM 0 HA SER A 61 7.227 5.364 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.402 5.834 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.872 5.578 8.400 1.00 0.00 H new ATOM 0 HG SER A 61 6.290 7.800 7.303 1.00 0.00 H new ATOM 879 N ALA A 62 7.151 3.268 6.660 1.00 0.00 N ATOM 880 CA ALA A 62 7.008 1.870 6.294 1.00 0.00 C ATOM 881 C ALA A 62 8.117 1.055 6.964 1.00 0.00 C ATOM 882 O ALA A 62 7.843 0.064 7.637 1.00 0.00 O ATOM 883 CB ALA A 62 7.026 1.735 4.770 1.00 0.00 C ATOM 0 H ALA A 62 7.572 3.856 5.941 1.00 0.00 H new ATOM 0 HA ALA A 62 6.053 1.479 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.919 0.685 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.202 2.307 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.971 2.116 4.382 1.00 0.00 H new ATOM 889 N GLU A 63 9.346 1.506 6.754 1.00 0.00 N ATOM 890 CA GLU A 63 10.497 0.832 7.330 1.00 0.00 C ATOM 891 C GLU A 63 10.372 0.773 8.853 1.00 0.00 C ATOM 892 O GLU A 63 11.018 -0.048 9.502 1.00 0.00 O ATOM 893 CB GLU A 63 11.799 1.519 6.913 1.00 0.00 C ATOM 894 CG GLU A 63 13.011 0.645 7.246 1.00 0.00 C ATOM 895 CD GLU A 63 14.120 0.827 6.207 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.837 0.555 5.020 1.00 0.00 O ATOM 897 OE2 GLU A 63 15.225 1.236 6.623 1.00 0.00 O ATOM 0 H GLU A 63 9.569 2.329 6.194 1.00 0.00 H new ATOM 0 HA GLU A 63 10.524 -0.189 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.779 1.726 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.887 2.479 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.389 0.903 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.710 -0.402 7.282 1.00 0.00 H new ATOM 904 N GLN A 64 9.536 1.654 9.381 1.00 0.00 N ATOM 905 CA GLN A 64 9.317 1.713 10.816 1.00 0.00 C ATOM 906 C GLN A 64 8.731 0.392 11.319 1.00 0.00 C ATOM 907 O GLN A 64 9.318 -0.264 12.178 1.00 0.00 O ATOM 908 CB GLN A 64 8.411 2.890 11.185 1.00 0.00 C ATOM 909 CG GLN A 64 9.217 4.023 11.825 1.00 0.00 C ATOM 910 CD GLN A 64 8.552 4.506 13.116 1.00 0.00 C ATOM 911 OE1 GLN A 64 7.380 4.841 13.153 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.365 4.524 14.168 1.00 0.00 N ATOM 0 H GLN A 64 9.001 2.334 8.840 1.00 0.00 H new ATOM 0 HA GLN A 64 10.279 1.870 11.304 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.905 3.258 10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.637 2.555 11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.229 3.679 12.039 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.305 4.853 11.124 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.336 4.230 14.067 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.017 4.832 15.076 1.00 0.00 H new ATOM 921 N THR A 65 7.582 0.041 10.761 1.00 0.00 N ATOM 922 CA THR A 65 6.911 -1.191 11.142 1.00 0.00 C ATOM 923 C THR A 65 7.932 -2.311 11.351 1.00 0.00 C ATOM 924 O THR A 65 7.918 -2.985 12.380 1.00 0.00 O ATOM 925 CB THR A 65 5.867 -1.511 10.071 1.00 0.00 C ATOM 926 OG1 THR A 65 6.631 -1.672 8.879 1.00 0.00 O ATOM 927 CG2 THR A 65 4.953 -0.321 9.770 1.00 0.00 C ATOM 0 H THR A 65 7.098 0.588 10.048 1.00 0.00 H new ATOM 0 HA THR A 65 6.395 -1.083 12.096 1.00 0.00 H new ATOM 0 HB THR A 65 5.264 -2.359 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.839 -0.791 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.231 -0.602 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.424 -0.030 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.552 0.517 9.414 1.00 0.00 H new ATOM 935 N GLY A 66 8.792 -2.478 10.356 1.00 0.00 N ATOM 936 CA GLY A 66 9.817 -3.506 10.419 1.00 0.00 C ATOM 937 C GLY A 66 9.319 -4.814 9.801 1.00 0.00 C ATOM 938 O GLY A 66 10.101 -5.571 9.229 1.00 0.00 O ATOM 0 H GLY A 66 8.800 -1.919 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.710 -3.168 9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.104 -3.676 11.457 1.00 0.00 H new ATOM 942 N LYS A 67 8.021 -5.040 9.940 1.00 0.00 N ATOM 943 CA LYS A 67 7.409 -6.243 9.403 1.00 0.00 C ATOM 944 C LYS A 67 7.298 -6.120 7.883 1.00 0.00 C ATOM 945 O LYS A 67 7.517 -7.091 7.160 1.00 0.00 O ATOM 946 CB LYS A 67 6.074 -6.521 10.098 1.00 0.00 C ATOM 947 CG LYS A 67 6.269 -7.420 11.321 1.00 0.00 C ATOM 948 CD LYS A 67 5.080 -8.365 11.502 1.00 0.00 C ATOM 949 CE LYS A 67 4.470 -8.219 12.896 1.00 0.00 C ATOM 950 NZ LYS A 67 2.992 -8.229 12.819 1.00 0.00 N ATOM 0 H LYS A 67 7.376 -4.410 10.417 1.00 0.00 H new ATOM 0 HA LYS A 67 8.035 -7.112 9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.616 -5.580 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.388 -6.997 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.185 -8.000 11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.389 -6.805 12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.324 -8.152 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.403 -9.395 11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.812 -9.032 13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.810 -7.289 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.594 -8.129 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.670 -7.438 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.672 -9.127 12.403 1.00 0.00 H new ATOM 964 N LEU A 68 6.956 -4.918 7.443 1.00 0.00 N ATOM 965 CA LEU A 68 6.813 -4.655 6.021 1.00 0.00 C ATOM 966 C LEU A 68 8.088 -5.088 5.295 1.00 0.00 C ATOM 967 O LEU A 68 9.193 -4.875 5.793 1.00 0.00 O ATOM 968 CB LEU A 68 6.436 -3.191 5.782 1.00 0.00 C ATOM 969 CG LEU A 68 4.939 -2.880 5.749 1.00 0.00 C ATOM 970 CD1 LEU A 68 4.292 -3.432 4.477 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.245 -3.391 7.013 1.00 0.00 C ATOM 0 H LEU A 68 6.774 -4.116 8.046 1.00 0.00 H new ATOM 0 HA LEU A 68 5.995 -5.243 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.895 -2.586 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.874 -2.874 4.835 1.00 0.00 H new ATOM 0 HG LEU A 68 4.816 -1.797 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.228 -3.197 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.762 -2.979 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.425 -4.513 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.182 -3.157 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.376 -4.470 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.682 -2.910 7.888 1.00 0.00 H new ATOM 983 N MET A 69 7.893 -5.688 4.130 1.00 0.00 N ATOM 984 CA MET A 69 9.014 -6.154 3.331 1.00 0.00 C ATOM 985 C MET A 69 8.800 -5.836 1.850 1.00 0.00 C ATOM 986 O MET A 69 7.724 -6.082 1.307 1.00 0.00 O ATOM 987 CB MET A 69 9.177 -7.664 3.510 1.00 0.00 C ATOM 988 CG MET A 69 9.109 -8.051 4.989 1.00 0.00 C ATOM 989 SD MET A 69 10.256 -9.376 5.327 1.00 0.00 S ATOM 990 CE MET A 69 9.562 -10.009 6.846 1.00 0.00 C ATOM 0 H MET A 69 6.975 -5.862 3.720 1.00 0.00 H new ATOM 0 HA MET A 69 9.914 -5.640 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.396 -8.186 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.131 -7.983 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.345 -7.187 5.611 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.096 -8.361 5.246 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.162 -10.848 7.198 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.560 -9.222 7.601 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.540 -10.343 6.668 1.00 0.00 H new ATOM 1000 N GLU A 70 9.843 -5.294 1.237 1.00 0.00 N ATOM 1001 CA GLU A 70 9.783 -4.940 -0.171 1.00 0.00 C ATOM 1002 C GLU A 70 9.337 -6.144 -1.002 1.00 0.00 C ATOM 1003 O GLU A 70 9.623 -7.286 -0.650 1.00 0.00 O ATOM 1004 CB GLU A 70 11.131 -4.405 -0.659 1.00 0.00 C ATOM 1005 CG GLU A 70 11.637 -3.282 0.248 1.00 0.00 C ATOM 1006 CD GLU A 70 12.644 -3.813 1.270 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.440 -4.693 0.877 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.594 -3.328 2.421 1.00 0.00 O ATOM 0 H GLU A 70 10.734 -5.092 1.690 1.00 0.00 H new ATOM 0 HA GLU A 70 9.047 -4.145 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.860 -5.215 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.032 -4.036 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.103 -2.504 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.796 -2.822 0.766 1.00 0.00 H new ATOM 1015 N GLY A 71 8.641 -5.845 -2.090 1.00 0.00 N ATOM 1016 CA GLY A 71 8.152 -6.889 -2.975 1.00 0.00 C ATOM 1017 C GLY A 71 6.804 -7.429 -2.493 1.00 0.00 C ATOM 1018 O GLY A 71 6.281 -8.391 -3.052 1.00 0.00 O ATOM 0 H GLY A 71 8.404 -4.896 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.050 -6.495 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.878 -7.701 -3.021 1.00 0.00 H new ATOM 1022 N MET A 72 6.280 -6.785 -1.461 1.00 0.00 N ATOM 1023 CA MET A 72 5.003 -7.189 -0.897 1.00 0.00 C ATOM 1024 C MET A 72 3.840 -6.555 -1.665 1.00 0.00 C ATOM 1025 O MET A 72 3.707 -5.333 -1.699 1.00 0.00 O ATOM 1026 CB MET A 72 4.935 -6.766 0.572 1.00 0.00 C ATOM 1027 CG MET A 72 5.487 -7.863 1.485 1.00 0.00 C ATOM 1028 SD MET A 72 4.158 -8.614 2.409 1.00 0.00 S ATOM 1029 CE MET A 72 4.956 -8.818 3.991 1.00 0.00 C ATOM 0 H MET A 72 6.716 -5.986 -1.000 1.00 0.00 H new ATOM 0 HA MET A 72 4.919 -8.273 -0.976 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.504 -5.848 0.716 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.902 -6.547 0.844 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.000 -8.619 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.224 -7.442 2.169 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.260 -9.278 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.832 -9.457 3.877 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.264 -7.844 4.371 1.00 0.00 H new ATOM 1039 N GLN A 73 3.029 -7.417 -2.261 1.00 0.00 N ATOM 1040 CA GLN A 73 1.883 -6.957 -3.027 1.00 0.00 C ATOM 1041 C GLN A 73 0.844 -6.323 -2.098 1.00 0.00 C ATOM 1042 O GLN A 73 0.380 -6.961 -1.154 1.00 0.00 O ATOM 1043 CB GLN A 73 1.268 -8.102 -3.835 1.00 0.00 C ATOM 1044 CG GLN A 73 0.094 -7.607 -4.681 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.921 -8.727 -4.919 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.718 -9.873 -4.551 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.021 -8.334 -5.554 1.00 0.00 N ATOM 0 H GLN A 73 3.143 -8.430 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 73 2.223 -6.199 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.026 -8.544 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.929 -8.887 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.393 -6.771 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.462 -7.235 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.127 -7.359 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.759 -9.007 -5.761 1.00 0.00 H new ATOM 1056 N VAL A 74 0.510 -5.078 -2.399 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.464 -4.351 -1.603 1.00 0.00 C ATOM 1058 C VAL A 74 -1.869 -4.636 -2.139 1.00 0.00 C ATOM 1059 O VAL A 74 -2.225 -4.185 -3.226 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.122 -2.860 -1.589 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.058 -2.090 -0.656 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.342 -2.637 -1.202 1.00 0.00 C ATOM 0 H VAL A 74 0.897 -4.553 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.436 -4.687 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.265 -2.475 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.792 -1.033 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.087 -2.208 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.962 -2.479 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.559 -1.569 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.522 -3.046 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.989 -3.137 -1.923 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.627 -5.385 -1.351 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.984 -5.736 -1.734 1.00 0.00 C ATOM 1074 C LEU A 75 -4.879 -4.500 -1.614 1.00 0.00 C ATOM 1075 O LEU A 75 -5.548 -4.118 -2.573 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.478 -6.933 -0.919 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.594 -8.182 -0.960 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.961 -9.151 0.166 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.655 -8.851 -2.335 1.00 0.00 C ATOM 0 H LEU A 75 -2.327 -5.758 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.015 -6.054 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.584 -6.621 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.472 -7.204 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.561 -7.875 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.318 -10.030 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.825 -8.658 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.002 -9.456 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.018 -9.736 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.683 -9.143 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.308 -8.152 -3.096 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.863 -3.909 -0.428 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.663 -2.725 -0.170 1.00 0.00 C ATOM 1093 C GLU A 76 -4.888 -1.740 0.707 1.00 0.00 C ATOM 1094 O GLU A 76 -3.942 -2.125 1.391 1.00 0.00 O ATOM 1095 CB GLU A 76 -7.001 -3.097 0.472 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.646 -4.282 -0.249 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.855 -4.806 0.528 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.550 -3.961 1.134 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.056 -6.039 0.500 1.00 0.00 O ATOM 0 H GLU A 76 -4.308 -4.229 0.365 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.877 -2.240 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.848 -3.346 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.673 -2.239 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.956 -3.979 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.914 -5.080 -0.371 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.319 -0.488 0.658 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.677 0.555 1.439 1.00 0.00 C ATOM 1108 C TRP A 77 -5.773 1.385 2.111 1.00 0.00 C ATOM 1109 O TRP A 77 -6.427 2.200 1.461 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.740 1.395 0.569 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.146 2.609 1.286 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.673 3.835 1.406 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.883 2.665 1.980 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.845 4.673 2.124 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.722 3.939 2.484 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.907 1.670 2.175 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.596 4.337 3.217 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.211 2.084 2.908 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.388 3.363 3.424 1.00 0.00 C ATOM 0 H TRP A 77 -6.105 -0.173 0.090 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.044 0.122 2.213 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.927 0.762 0.213 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.286 1.737 -0.310 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.626 4.130 0.993 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.024 5.652 2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.012 0.667 1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.493 5.341 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.991 1.359 3.085 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.281 3.604 3.982 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.941 1.150 3.404 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.947 1.865 4.171 1.00 0.00 C ATOM 1132 C ASN A 78 -8.339 1.467 3.675 1.00 0.00 C ATOM 1133 O ASN A 78 -9.276 2.260 3.744 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.798 3.378 3.997 1.00 0.00 C ATOM 1135 CG ASN A 78 -6.259 4.025 5.274 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -6.226 3.428 6.338 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.840 5.277 5.110 1.00 0.00 N ATOM 0 H ASN A 78 -5.397 0.474 3.940 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.816 1.607 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.124 3.588 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.763 3.815 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.463 5.797 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.896 5.717 4.192 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.429 0.239 3.186 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.691 -0.274 2.680 1.00 0.00 C ATOM 1146 C GLY A 79 -9.709 -0.267 1.150 1.00 0.00 C ATOM 1147 O GLY A 79 -9.955 -1.298 0.523 1.00 0.00 O ATOM 0 H GLY A 79 -7.649 -0.416 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.848 -1.289 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.513 0.332 3.060 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.449 0.906 0.592 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.434 1.061 -0.853 1.00 0.00 C ATOM 1153 C ILE A 80 -8.436 0.071 -1.457 1.00 0.00 C ATOM 1154 O ILE A 80 -7.247 0.115 -1.146 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.161 2.519 -1.233 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.159 3.458 -0.553 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.150 2.696 -2.752 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.507 4.194 0.620 1.00 0.00 C ATOM 0 H ILE A 80 -9.247 1.758 1.114 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.412 0.824 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.169 2.787 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.535 4.181 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.017 2.887 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.954 3.740 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.370 2.070 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.118 2.404 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.238 4.855 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.154 3.469 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.665 4.783 0.257 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.972 -0.822 -2.333 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.142 -1.822 -2.984 1.00 0.00 C ATOM 1172 C PRO A 81 -7.292 -1.192 -4.089 1.00 0.00 C ATOM 1173 O PRO A 81 -7.696 -0.205 -4.703 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.117 -2.863 -3.505 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.477 -2.184 -3.536 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.375 -0.902 -2.726 1.00 0.00 C ATOM 0 HA PRO A 81 -7.420 -2.277 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.829 -3.205 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.133 -3.740 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.771 -1.965 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.241 -2.840 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.670 -0.035 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.029 -0.931 -1.855 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.130 -1.790 -4.311 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.220 -1.301 -5.333 1.00 0.00 C ATOM 1186 C LEU A 82 -5.097 -2.346 -6.443 1.00 0.00 C ATOM 1187 O LEU A 82 -4.032 -2.500 -7.041 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.880 -0.904 -4.711 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.940 0.153 -3.605 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.548 0.425 -3.030 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.616 1.431 -4.105 1.00 0.00 C ATOM 0 H LEU A 82 -5.798 -2.608 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.614 -0.394 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.411 -1.800 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.229 -0.535 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.552 -0.237 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.619 1.179 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.141 -0.496 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.891 0.785 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.646 2.166 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.052 1.836 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.632 1.203 -4.426 1.00 0.00 H new ATOM 1203 N THR A 83 -6.200 -3.039 -6.685 1.00 0.00 N ATOM 1204 CA THR A 83 -6.229 -4.065 -7.713 1.00 0.00 C ATOM 1205 C THR A 83 -7.047 -3.592 -8.917 1.00 0.00 C ATOM 1206 O THR A 83 -8.199 -3.188 -8.768 1.00 0.00 O ATOM 1207 CB THR A 83 -6.766 -5.351 -7.081 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.738 -5.748 -6.176 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.847 -6.505 -8.083 1.00 0.00 C ATOM 0 H THR A 83 -7.080 -2.910 -6.186 1.00 0.00 H new ATOM 0 HA THR A 83 -5.230 -4.267 -8.099 1.00 0.00 H new ATOM 0 HB THR A 83 -7.754 -5.165 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.004 -6.574 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.234 -7.394 -7.584 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.512 -6.230 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.853 -6.715 -8.478 1.00 0.00 H new ATOM 1217 N SER A 84 -6.419 -3.659 -10.081 1.00 0.00 N ATOM 1218 CA SER A 84 -7.073 -3.243 -11.309 1.00 0.00 C ATOM 1219 C SER A 84 -7.104 -1.715 -11.395 1.00 0.00 C ATOM 1220 O SER A 84 -8.118 -1.131 -11.776 1.00 0.00 O ATOM 1221 CB SER A 84 -8.493 -3.808 -11.395 1.00 0.00 C ATOM 1222 OG SER A 84 -8.826 -4.215 -12.720 1.00 0.00 O ATOM 0 H SER A 84 -5.463 -3.995 -10.200 1.00 0.00 H new ATOM 0 HA SER A 84 -6.502 -3.636 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.586 -4.659 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.204 -3.054 -11.058 1.00 0.00 H new ATOM 0 HG SER A 84 -9.739 -4.571 -12.733 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.981 -1.112 -11.032 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.867 0.337 -11.064 1.00 0.00 C ATOM 1230 C LYS A 85 -4.631 0.729 -11.874 1.00 0.00 C ATOM 1231 O LYS A 85 -4.161 -0.042 -12.711 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.877 0.905 -9.643 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.010 0.295 -8.816 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.317 1.063 -9.026 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.271 0.855 -7.848 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.572 0.334 -8.320 1.00 0.00 N ATOM 0 H LYS A 85 -5.143 -1.599 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.729 0.777 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.921 0.703 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.993 1.988 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.148 -0.749 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.742 0.308 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.104 2.126 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.794 0.731 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.831 0.158 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.420 1.798 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.207 0.199 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.998 1.013 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.427 -0.576 -8.802 1.00 0.00 H new ATOM 1250 N THR A 86 -4.136 1.927 -11.598 1.00 0.00 N ATOM 1251 CA THR A 86 -2.963 2.431 -12.292 1.00 0.00 C ATOM 1252 C THR A 86 -1.977 3.041 -11.296 1.00 0.00 C ATOM 1253 O THR A 86 -2.373 3.507 -10.228 1.00 0.00 O ATOM 1254 CB THR A 86 -3.434 3.417 -13.362 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.290 4.312 -12.658 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.351 2.764 -14.399 1.00 0.00 C ATOM 0 H THR A 86 -4.526 2.563 -10.903 1.00 0.00 H new ATOM 0 HA THR A 86 -2.420 1.626 -12.788 1.00 0.00 H new ATOM 0 HB THR A 86 -2.567 3.847 -13.864 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.639 4.987 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.656 3.508 -15.135 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.817 1.956 -14.900 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.234 2.362 -13.902 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.709 3.020 -11.679 1.00 0.00 N ATOM 1265 CA TYR A 87 0.339 3.567 -10.832 1.00 0.00 C ATOM 1266 C TYR A 87 -0.113 4.872 -10.173 1.00 0.00 C ATOM 1267 O TYR A 87 -0.027 5.017 -8.955 1.00 0.00 O ATOM 1268 CB TYR A 87 1.520 3.860 -11.759 1.00 0.00 C ATOM 1269 CG TYR A 87 2.811 4.230 -11.025 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.867 5.384 -10.268 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.917 3.412 -11.119 1.00 0.00 C ATOM 1272 CE1 TYR A 87 4.082 5.732 -9.577 1.00 0.00 C ATOM 1273 CE2 TYR A 87 5.131 3.760 -10.428 1.00 0.00 C ATOM 1274 CZ TYR A 87 5.153 4.903 -9.690 1.00 0.00 C ATOM 1275 OH TYR A 87 6.300 5.232 -9.038 1.00 0.00 O ATOM 0 H TYR A 87 -0.383 2.633 -12.565 1.00 0.00 H new ATOM 0 HA TYR A 87 0.595 2.866 -10.037 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.706 2.985 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.249 4.676 -12.429 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.001 6.025 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.873 2.510 -11.711 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.141 6.632 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.004 3.128 -10.494 1.00 0.00 H new ATOM 0 HH TYR A 87 6.981 4.548 -9.208 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.586 5.785 -11.007 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.052 7.072 -10.521 1.00 0.00 C ATOM 1287 C GLU A 88 -2.200 6.881 -9.527 1.00 0.00 C ATOM 1288 O GLU A 88 -2.058 7.182 -8.343 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.476 7.976 -11.679 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.311 8.851 -12.148 1.00 0.00 C ATOM 1291 CD GLU A 88 -0.806 10.219 -12.620 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.518 10.870 -11.825 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.463 10.583 -13.765 1.00 0.00 O ATOM 0 H GLU A 88 -0.657 5.659 -12.017 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.227 7.562 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.834 7.366 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.307 8.608 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.402 8.980 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.219 8.352 -12.960 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.312 6.380 -10.046 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.483 6.144 -9.219 1.00 0.00 C ATOM 1302 C GLU A 89 -4.068 5.585 -7.856 1.00 0.00 C ATOM 1303 O GLU A 89 -4.330 6.199 -6.823 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.469 5.206 -9.918 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.267 5.950 -10.991 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.659 6.321 -10.479 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.717 7.119 -9.519 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.636 5.799 -11.059 1.00 0.00 O ATOM 0 H GLU A 89 -3.426 6.131 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.988 7.097 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.927 4.376 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.151 4.777 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.732 6.852 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.357 5.326 -11.880 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.427 4.426 -7.898 1.00 0.00 N ATOM 1316 CA VAL A 90 -2.973 3.778 -6.680 1.00 0.00 C ATOM 1317 C VAL A 90 -2.351 4.824 -5.752 1.00 0.00 C ATOM 1318 O VAL A 90 -2.865 5.076 -4.663 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.013 2.636 -7.021 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.468 1.980 -5.751 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.689 1.604 -7.925 1.00 0.00 C ATOM 0 H VAL A 90 -3.211 3.919 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.814 3.331 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.170 3.059 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.789 1.172 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.932 2.722 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.295 1.578 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.985 0.803 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.559 1.189 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.005 2.083 -8.852 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.255 5.404 -6.217 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.559 6.418 -5.442 1.00 0.00 C ATOM 1333 C GLN A 91 -1.562 7.305 -4.704 1.00 0.00 C ATOM 1334 O GLN A 91 -1.597 7.319 -3.474 1.00 0.00 O ATOM 1335 CB GLN A 91 0.360 7.254 -6.335 1.00 0.00 C ATOM 1336 CG GLN A 91 1.769 7.341 -5.744 1.00 0.00 C ATOM 1337 CD GLN A 91 2.212 8.797 -5.592 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.443 9.674 -5.234 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.493 9.007 -5.886 1.00 0.00 N ATOM 0 H GLN A 91 -0.831 5.192 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 91 0.065 5.917 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.406 6.812 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.052 8.256 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.791 6.848 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.470 6.809 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.083 8.229 -6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.885 9.946 -5.817 1.00 0.00 H new ATOM 1348 N SER A 92 -2.355 8.024 -5.485 1.00 0.00 N ATOM 1349 CA SER A 92 -3.357 8.912 -4.920 1.00 0.00 C ATOM 1350 C SER A 92 -4.027 8.246 -3.716 1.00 0.00 C ATOM 1351 O SER A 92 -4.059 8.815 -2.627 1.00 0.00 O ATOM 1352 CB SER A 92 -4.405 9.296 -5.966 1.00 0.00 C ATOM 1353 OG SER A 92 -4.327 10.674 -6.321 1.00 0.00 O ATOM 0 H SER A 92 -2.324 8.010 -6.504 1.00 0.00 H new ATOM 0 HA SER A 92 -2.860 9.825 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.268 8.684 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.400 9.077 -5.579 1.00 0.00 H new ATOM 0 HG SER A 92 -5.011 10.878 -6.992 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.546 7.051 -3.955 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.213 6.302 -2.904 1.00 0.00 C ATOM 1361 C ILE A 93 -4.304 6.233 -1.675 1.00 0.00 C ATOM 1362 O ILE A 93 -4.767 6.378 -0.546 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.654 4.930 -3.420 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.927 5.045 -4.262 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.816 3.937 -2.269 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.166 3.768 -5.070 1.00 0.00 C ATOM 0 H ILE A 93 -4.518 6.583 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.127 6.811 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.871 4.542 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.781 5.234 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.845 5.897 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.130 2.971 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.865 3.825 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.569 4.307 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.076 3.876 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.321 3.595 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.271 2.922 -4.391 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.023 6.013 -1.938 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.045 5.923 -0.869 1.00 0.00 C ATOM 1380 C ILE A 94 -1.722 7.329 -0.361 1.00 0.00 C ATOM 1381 O ILE A 94 -1.973 7.646 0.801 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.815 5.138 -1.332 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.174 4.175 -2.465 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.150 4.419 -0.157 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.248 2.958 -2.465 1.00 0.00 C ATOM 0 H ILE A 94 -2.641 5.895 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.452 5.364 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.087 5.845 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.208 3.849 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.102 4.691 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.721 3.869 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.163 5.151 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.859 3.724 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.525 2.290 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.783 3.285 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.341 2.430 -1.516 1.00 0.00 H new ATOM 1397 N SER A 95 -1.168 8.135 -1.255 1.00 0.00 N ATOM 1398 CA SER A 95 -0.807 9.499 -0.911 1.00 0.00 C ATOM 1399 C SER A 95 -2.011 10.221 -0.303 1.00 0.00 C ATOM 1400 O SER A 95 -3.149 9.778 -0.456 1.00 0.00 O ATOM 1401 CB SER A 95 -0.297 10.259 -2.137 1.00 0.00 C ATOM 1402 OG SER A 95 0.787 11.127 -1.815 1.00 0.00 O ATOM 0 H SER A 95 -0.960 7.869 -2.218 1.00 0.00 H new ATOM 0 HA SER A 95 -0.002 9.465 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.023 9.547 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.112 10.841 -2.567 1.00 0.00 H new ATOM 0 HG SER A 95 1.131 11.539 -2.635 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.721 11.323 0.375 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.765 12.110 1.007 1.00 0.00 C ATOM 1410 C GLN A 96 -3.342 11.359 2.210 1.00 0.00 C ATOM 1411 O GLN A 96 -4.477 10.888 2.165 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.864 12.467 0.006 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.333 13.911 0.197 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.615 14.181 -0.594 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.585 13.444 -0.526 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -5.564 15.276 -1.347 1.00 0.00 N ATOM 0 H GLN A 96 -0.777 11.689 0.500 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.325 13.042 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.493 12.333 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.708 11.788 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.507 14.103 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.550 14.597 -0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.720 15.849 -1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.369 15.543 -1.914 1.00 0.00 H new ATOM 1425 N GLN A 97 -2.533 11.272 3.256 1.00 0.00 N ATOM 1426 CA GLN A 97 -2.948 10.587 4.468 1.00 0.00 C ATOM 1427 C GLN A 97 -1.900 10.772 5.567 1.00 0.00 C ATOM 1428 O GLN A 97 -1.125 9.861 5.851 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.203 9.102 4.198 1.00 0.00 C ATOM 1430 CG GLN A 97 -4.084 8.491 5.290 1.00 0.00 C ATOM 1431 CD GLN A 97 -5.459 9.162 5.325 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -6.358 8.834 4.568 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -5.571 10.117 6.244 1.00 0.00 N ATOM 0 H GLN A 97 -1.592 11.665 3.289 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.885 11.027 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.685 8.982 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.254 8.569 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.201 7.422 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.597 8.601 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.778 10.341 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.450 10.625 6.347 1.00 0.00 H new ATOM 1442 N SER A 98 -1.912 11.959 6.158 1.00 0.00 N ATOM 1443 CA SER A 98 -0.973 12.275 7.220 1.00 0.00 C ATOM 1444 C SER A 98 -1.627 12.043 8.583 1.00 0.00 C ATOM 1445 O SER A 98 -1.981 12.996 9.276 1.00 0.00 O ATOM 1446 CB SER A 98 -0.480 13.719 7.107 1.00 0.00 C ATOM 1447 OG SER A 98 0.832 13.879 7.641 1.00 0.00 O ATOM 0 H SER A 98 -2.557 12.713 5.921 1.00 0.00 H new ATOM 0 HA SER A 98 -0.110 11.616 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.485 14.023 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.169 14.379 7.634 1.00 0.00 H new ATOM 0 HG SER A 98 1.354 14.466 7.056 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.770 10.771 8.927 1.00 0.00 N ATOM 1454 CA GLY A 99 -2.375 10.401 10.195 1.00 0.00 C ATOM 1455 C GLY A 99 -2.524 8.883 10.310 1.00 0.00 C ATOM 1456 O GLY A 99 -3.579 8.388 10.706 1.00 0.00 O ATOM 0 H GLY A 99 -1.477 9.983 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.762 10.773 11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.353 10.874 10.287 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.455 8.187 9.954 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.454 6.735 10.012 1.00 0.00 C ATOM 1462 C GLU A 100 -2.405 6.161 8.959 1.00 0.00 C ATOM 1463 O GLU A 100 -3.412 6.783 8.622 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.824 6.241 11.413 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.333 4.810 11.637 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.252 4.061 12.605 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.200 4.394 13.808 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -2.985 3.172 12.118 1.00 0.00 O ATOM 0 H GLU A 100 -0.583 8.601 9.624 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.446 6.383 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.387 6.901 12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.905 6.283 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.294 4.282 10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.318 4.828 12.034 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.051 4.982 8.470 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.861 4.317 7.462 1.00 0.00 C ATOM 1477 C ALA A 101 -2.705 2.803 7.606 1.00 0.00 C ATOM 1478 O ALA A 101 -1.757 2.329 8.232 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.458 4.816 6.073 1.00 0.00 C ATOM 0 H ALA A 101 -1.215 4.470 8.752 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.916 4.554 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.065 4.318 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.616 5.893 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.405 4.593 5.898 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.648 2.083 7.016 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.626 0.631 7.071 1.00 0.00 C ATOM 1487 C GLU A 102 -3.218 0.055 5.714 1.00 0.00 C ATOM 1488 O GLU A 102 -3.712 0.491 4.675 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.983 0.079 7.515 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.879 -0.593 8.885 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.995 -0.114 9.816 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -5.917 1.061 10.238 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.901 -0.932 10.085 1.00 0.00 O ATOM 0 H GLU A 102 -4.432 2.478 6.497 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.886 0.326 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.713 0.888 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.346 -0.640 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.937 -1.675 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.909 -0.372 9.330 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.318 -0.916 5.766 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.836 -1.556 4.554 1.00 0.00 C ATOM 1502 C ILE A 103 -2.135 -3.055 4.622 1.00 0.00 C ATOM 1503 O ILE A 103 -1.803 -3.714 5.606 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.357 -1.234 4.328 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.251 -2.159 3.273 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.420 -1.276 5.645 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.597 -1.622 2.783 1.00 0.00 C ATOM 0 H ILE A 103 -1.910 -1.275 6.629 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.360 -1.164 3.682 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.284 -0.217 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.384 -3.156 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.434 -2.256 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.468 -1.044 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.004 -0.543 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.342 -2.272 6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.008 -2.299 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.456 -0.635 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.287 -1.549 3.623 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.758 -3.550 3.562 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.105 -4.959 3.488 1.00 0.00 C ATOM 1521 C CYS A 104 -2.182 -5.629 2.468 1.00 0.00 C ATOM 1522 O CYS A 104 -2.376 -5.485 1.262 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.582 -5.160 3.141 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.982 -6.947 3.120 1.00 0.00 S ATOM 0 H CYS A 104 -3.031 -3.000 2.748 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.962 -5.423 4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.209 -4.647 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.799 -4.719 2.168 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.238 -7.107 2.827 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.198 -6.346 2.990 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.245 -7.038 2.140 1.00 0.00 C ATOM 1532 C VAL A 105 -0.395 -8.548 2.336 1.00 0.00 C ATOM 1533 O VAL A 105 -0.936 -8.995 3.346 1.00 0.00 O ATOM 1534 CB VAL A 105 1.172 -6.535 2.425 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.453 -5.231 1.676 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.401 -6.365 3.928 1.00 0.00 C ATOM 0 H VAL A 105 -1.040 -6.463 3.991 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.445 -6.826 1.090 1.00 0.00 H new ATOM 0 HB VAL A 105 1.873 -7.286 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.467 -4.896 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.351 -5.398 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.742 -4.469 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.415 -6.007 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.687 -5.643 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.264 -7.324 4.428 1.00 0.00 H new ATOM 1546 N ARG A 106 0.095 -9.292 1.355 1.00 0.00 N ATOM 1547 CA ARG A 106 0.023 -10.741 1.408 1.00 0.00 C ATOM 1548 C ARG A 106 1.326 -11.319 1.965 1.00 0.00 C ATOM 1549 O ARG A 106 2.412 -10.888 1.584 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.235 -11.331 0.020 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.064 -12.852 0.029 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.321 -13.441 -1.359 1.00 0.00 C ATOM 1553 NE ARG A 106 0.036 -12.453 -2.402 1.00 0.00 N ATOM 1554 CZ ARG A 106 1.284 -12.027 -2.640 1.00 0.00 C ATOM 1555 NH1 ARG A 106 2.303 -12.502 -1.910 1.00 0.00 N ATOM 1556 NH2 ARG A 106 1.514 -11.129 -3.606 1.00 0.00 N ATOM 0 H ARG A 106 0.543 -8.918 0.519 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.806 -11.007 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.244 -11.077 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.453 -10.889 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.945 -13.106 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.752 -13.295 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.265 -14.350 -1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.370 -13.721 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.716 -12.072 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.128 -13.187 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.254 -12.179 -2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.739 -10.768 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.465 -10.806 -3.786 1.00 0.00 H new ATOM 1570 N LEU A 107 1.172 -12.285 2.859 1.00 0.00 N ATOM 1571 CA LEU A 107 2.324 -12.925 3.473 1.00 0.00 C ATOM 1572 C LEU A 107 3.076 -13.736 2.416 1.00 0.00 C ATOM 1573 O LEU A 107 3.897 -13.191 1.680 1.00 0.00 O ATOM 1574 CB LEU A 107 1.894 -13.750 4.688 1.00 0.00 C ATOM 1575 CG LEU A 107 1.494 -12.953 5.931 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.305 -13.876 7.137 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.503 -11.838 6.216 1.00 0.00 C ATOM 0 H LEU A 107 0.269 -12.640 3.173 1.00 0.00 H new ATOM 0 HA LEU A 107 3.018 -12.175 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.052 -14.378 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.712 -14.418 4.957 1.00 0.00 H new ATOM 0 HG LEU A 107 0.533 -12.476 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.021 -13.284 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.521 -14.602 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.238 -14.400 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.195 -11.287 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.489 -12.273 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.545 -11.159 5.364 1.00 0.00 H new ATOM 1589 N ASP A 108 2.768 -15.023 2.373 1.00 0.00 N ATOM 1590 CA ASP A 108 3.404 -15.914 1.417 1.00 0.00 C ATOM 1591 C ASP A 108 3.356 -15.280 0.025 1.00 0.00 C ATOM 1592 O ASP A 108 2.760 -14.219 -0.158 1.00 0.00 O ATOM 1593 CB ASP A 108 2.678 -17.259 1.349 1.00 0.00 C ATOM 1594 CG ASP A 108 3.078 -18.264 2.431 1.00 0.00 C ATOM 1595 OD1 ASP A 108 2.807 -17.964 3.614 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.646 -19.311 2.051 1.00 0.00 O ATOM 0 H ASP A 108 2.086 -15.471 2.985 1.00 0.00 H new ATOM 0 HA ASP A 108 4.432 -16.076 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.605 -17.080 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.863 -17.706 0.372 1.00 0.00 H new ATOM 1601 N LEU A 109 3.991 -15.956 -0.920 1.00 0.00 N ATOM 1602 CA LEU A 109 4.029 -15.473 -2.291 1.00 0.00 C ATOM 1603 C LEU A 109 4.687 -14.091 -2.321 1.00 0.00 C ATOM 1604 O LEU A 109 4.697 -13.382 -1.316 1.00 0.00 O ATOM 1605 CB LEU A 109 2.629 -15.500 -2.906 1.00 0.00 C ATOM 1606 CG LEU A 109 2.557 -15.286 -4.419 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.421 -16.104 -5.036 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.441 -13.798 -4.758 1.00 0.00 C ATOM 0 H LEU A 109 4.484 -16.835 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 109 4.638 -16.131 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.170 -16.461 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.026 -14.732 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 109 3.488 -15.645 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.393 -15.933 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.588 -17.163 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.472 -15.799 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.392 -13.674 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.537 -13.391 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.311 -13.268 -4.372 1.00 0.00 H new ATOM 1620 N ASN A 110 5.221 -13.753 -3.485 1.00 0.00 N ATOM 1621 CA ASN A 110 5.880 -12.470 -3.660 1.00 0.00 C ATOM 1622 C ASN A 110 5.826 -12.070 -5.136 1.00 0.00 C ATOM 1623 O ASN A 110 5.557 -12.904 -5.999 1.00 0.00 O ATOM 1624 CB ASN A 110 7.351 -12.545 -3.245 1.00 0.00 C ATOM 1625 CG ASN A 110 7.532 -12.120 -1.787 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.271 -13.082 -0.906 1.00 0.00 O flip ATOM 1627 ND2 ASN A 110 7.885 -10.992 -1.481 1.00 0.00 N flip ATOM 0 H ASN A 110 5.211 -14.345 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 110 5.365 -11.739 -3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.719 -13.562 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.948 -11.902 -3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.069 -10.301 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.996 -10.741 -0.499 1.00 0.00 H new ATOM 1634 N MET A 111 6.085 -10.794 -5.380 1.00 0.00 N ATOM 1635 CA MET A 111 6.067 -10.274 -6.737 1.00 0.00 C ATOM 1636 C MET A 111 7.454 -10.369 -7.378 1.00 0.00 C ATOM 1637 O MET A 111 8.467 -10.191 -6.704 1.00 0.00 O ATOM 1638 CB MET A 111 5.613 -8.812 -6.718 1.00 0.00 C ATOM 1639 CG MET A 111 4.089 -8.711 -6.808 1.00 0.00 C ATOM 1640 SD MET A 111 3.606 -8.190 -8.445 1.00 0.00 S ATOM 1641 CE MET A 111 2.651 -6.737 -8.038 1.00 0.00 C ATOM 0 H MET A 111 6.308 -10.105 -4.662 1.00 0.00 H new ATOM 0 HA MET A 111 5.372 -10.872 -7.326 1.00 0.00 H new ATOM 0 HB2 MET A 111 5.960 -8.332 -5.803 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.067 -8.276 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 111 3.638 -9.676 -6.577 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.719 -8.001 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.871 -6.593 -8.786 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.193 -6.865 -7.057 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.305 -5.865 -8.022 1.00 0.00 H new ATOM 1651 N SER A 112 7.454 -10.651 -8.672 1.00 0.00 N ATOM 1652 CA SER A 112 8.698 -10.772 -9.412 1.00 0.00 C ATOM 1653 C SER A 112 8.415 -10.790 -10.916 1.00 0.00 C ATOM 1654 O SER A 112 8.790 -9.864 -11.632 1.00 0.00 O ATOM 1655 CB SER A 112 9.462 -12.033 -9.001 1.00 0.00 C ATOM 1656 OG SER A 112 10.784 -11.736 -8.560 1.00 0.00 O ATOM 0 H SER A 112 6.611 -10.799 -9.227 1.00 0.00 H new ATOM 0 HA SER A 112 9.320 -9.909 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 112 8.920 -12.542 -8.204 1.00 0.00 H new ATOM 0 HB3 SER A 112 9.507 -12.721 -9.845 1.00 0.00 H new ATOM 0 HG SER A 112 11.238 -12.566 -8.305 1.00 0.00 H new ATOM 1662 N GLY A 113 7.754 -11.854 -11.349 1.00 0.00 N ATOM 1663 CA GLY A 113 7.415 -12.004 -12.753 1.00 0.00 C ATOM 1664 C GLY A 113 8.095 -13.237 -13.352 1.00 0.00 C ATOM 1665 O GLY A 113 8.260 -14.251 -12.675 1.00 0.00 O ATOM 0 H GLY A 113 7.444 -12.620 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.334 -12.091 -12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.720 -11.113 -13.302 1.00 0.00 H new ATOM 1669 N PRO A 114 8.482 -13.107 -14.650 1.00 0.00 N ATOM 1670 CA PRO A 114 9.140 -14.197 -15.348 1.00 0.00 C ATOM 1671 C PRO A 114 10.594 -14.342 -14.891 1.00 0.00 C ATOM 1672 O PRO A 114 11.007 -15.415 -14.455 1.00 0.00 O ATOM 1673 CB PRO A 114 9.012 -13.855 -16.822 1.00 0.00 C ATOM 1674 CG PRO A 114 8.700 -12.369 -16.880 1.00 0.00 C ATOM 1675 CD PRO A 114 8.305 -11.921 -15.483 1.00 0.00 C ATOM 0 HA PRO A 114 8.687 -15.166 -15.138 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.934 -14.081 -17.357 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.220 -14.439 -17.291 1.00 0.00 H new ATOM 0 HG2 PRO A 114 9.568 -11.810 -17.229 1.00 0.00 H new ATOM 0 HG3 PRO A 114 7.892 -12.176 -17.586 1.00 0.00 H new ATOM 0 HD2 PRO A 114 8.932 -11.098 -15.139 1.00 0.00 H new ATOM 0 HD3 PRO A 114 7.274 -11.569 -15.457 1.00 0.00 H new ATOM 1683 N SER A 115 11.329 -13.246 -15.010 1.00 0.00 N ATOM 1684 CA SER A 115 12.728 -13.237 -14.616 1.00 0.00 C ATOM 1685 C SER A 115 12.885 -13.866 -13.231 1.00 0.00 C ATOM 1686 O SER A 115 12.559 -13.242 -12.221 1.00 0.00 O ATOM 1687 CB SER A 115 13.293 -11.815 -14.621 1.00 0.00 C ATOM 1688 OG SER A 115 13.741 -11.423 -15.916 1.00 0.00 O ATOM 0 H SER A 115 10.982 -12.358 -15.373 1.00 0.00 H new ATOM 0 HA SER A 115 13.291 -13.825 -15.341 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.528 -11.120 -14.276 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.122 -11.752 -13.916 1.00 0.00 H new ATOM 0 HG SER A 115 14.093 -10.509 -15.878 1.00 0.00 H new ATOM 1694 N SER A 116 13.384 -15.093 -13.226 1.00 0.00 N ATOM 1695 CA SER A 116 13.588 -15.813 -11.980 1.00 0.00 C ATOM 1696 C SER A 116 14.991 -16.423 -11.952 1.00 0.00 C ATOM 1697 O SER A 116 15.192 -17.549 -12.404 1.00 0.00 O ATOM 1698 CB SER A 116 12.532 -16.904 -11.796 1.00 0.00 C ATOM 1699 OG SER A 116 12.704 -17.612 -10.571 1.00 0.00 O ATOM 0 H SER A 116 13.653 -15.607 -14.065 1.00 0.00 H new ATOM 0 HA SER A 116 13.489 -15.106 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.539 -16.455 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.585 -17.604 -12.630 1.00 0.00 H new ATOM 0 HG SER A 116 12.010 -18.299 -10.490 1.00 0.00 H new ATOM 1705 N GLY A 117 15.926 -15.651 -11.416 1.00 0.00 N ATOM 1706 CA GLY A 117 17.304 -16.101 -11.324 1.00 0.00 C ATOM 1707 C GLY A 117 17.577 -16.757 -9.969 1.00 0.00 C ATOM 1708 O GLY A 117 18.165 -17.836 -9.904 1.00 0.00 O ATOM 0 H GLY A 117 15.756 -14.718 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 117 17.513 -16.811 -12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 117 17.977 -15.255 -11.465 1.00 0.00 H new TER 1712 GLY A 117