USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 19 HIS : no HE2:sc= -1.09 K(o=-0.46,f=-8!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0 X(o=-0.46,f=-0.46) USER MOD Set 1.3: A 82 TYR OH : rot 21:sc= 0.622 USER MOD Set 2.1: A 58 MET CE :methyl -162:sc= -0.0159 (180deg=0) USER MOD Set 2.2: A 65 CYS SG : rot -49:sc= 0.69 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00619 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 1.27 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.0085 (180deg=-0.214) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.579 (180deg=-1.27) USER MOD Single : A 53 GLN : amide:sc= -0.86 K(o=-0.86,f=-1.6!) USER MOD Single : A 54 GLN : amide:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -163:sc= -2.54 (180deg=-4.03!) USER MOD Single : A 72 TYR OH : rot 14:sc= 0.119 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc=-0.00184 (180deg=-0.0617) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.233 K(o=0.23,f=-0.83) USER MOD Single : A 88 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.165) USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0746) USER MOD Single : A 99 SER OG : rot -71:sc= 0.268 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00824 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.552 -18.467 3.297 1.00 0.00 N ATOM 2 CA GLY A 1 12.832 -17.179 3.496 1.00 0.00 C ATOM 3 C GLY A 1 11.455 -17.371 4.100 1.00 0.00 C ATOM 4 O GLY A 1 11.259 -18.239 4.949 1.00 0.00 O ATOM 0 H1 GLY A 1 14.534 -18.370 3.626 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.078 -19.217 3.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.548 -18.715 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.423 -16.533 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.737 -16.668 2.538 1.00 0.00 H new ATOM 10 N SER A 2 10.499 -16.558 3.661 1.00 0.00 N ATOM 11 CA SER A 2 9.133 -16.641 4.165 1.00 0.00 C ATOM 12 C SER A 2 8.212 -17.284 3.133 1.00 0.00 C ATOM 13 O SER A 2 8.384 -17.096 1.929 1.00 0.00 O ATOM 14 CB SER A 2 8.617 -15.249 4.531 1.00 0.00 C ATOM 15 OG SER A 2 8.861 -14.957 5.896 1.00 0.00 O ATOM 0 H SER A 2 10.645 -15.834 2.957 1.00 0.00 H new ATOM 0 HA SER A 2 9.138 -17.264 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.102 -14.501 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.548 -15.189 4.329 1.00 0.00 H new ATOM 0 HG SER A 2 8.523 -14.061 6.104 1.00 0.00 H new ATOM 21 N SER A 3 7.233 -18.043 3.614 1.00 0.00 N ATOM 22 CA SER A 3 6.283 -18.714 2.733 1.00 0.00 C ATOM 23 C SER A 3 4.874 -18.662 3.314 1.00 0.00 C ATOM 24 O SER A 3 4.685 -18.329 4.483 1.00 0.00 O ATOM 25 CB SER A 3 6.702 -20.167 2.508 1.00 0.00 C ATOM 26 OG SER A 3 7.855 -20.246 1.687 1.00 0.00 O ATOM 0 H SER A 3 7.076 -18.209 4.608 1.00 0.00 H new ATOM 0 HA SER A 3 6.282 -18.192 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.902 -20.643 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.883 -20.717 2.044 1.00 0.00 H new ATOM 0 HG SER A 3 8.103 -21.186 1.560 1.00 0.00 H new ATOM 32 N GLY A 4 3.887 -18.996 2.488 1.00 0.00 N ATOM 33 CA GLY A 4 2.508 -18.981 2.938 1.00 0.00 C ATOM 34 C GLY A 4 1.533 -18.686 1.815 1.00 0.00 C ATOM 35 O GLY A 4 1.932 -18.544 0.659 1.00 0.00 O ATOM 0 H GLY A 4 4.018 -19.276 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.264 -19.946 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.393 -18.231 3.721 1.00 0.00 H new ATOM 39 N SER A 5 0.252 -18.593 2.155 1.00 0.00 N ATOM 40 CA SER A 5 -0.783 -18.314 1.166 1.00 0.00 C ATOM 41 C SER A 5 -2.127 -18.058 1.841 1.00 0.00 C ATOM 42 O SER A 5 -2.425 -18.631 2.890 1.00 0.00 O ATOM 43 CB SER A 5 -0.908 -19.481 0.183 1.00 0.00 C ATOM 44 OG SER A 5 -1.139 -19.015 -1.135 1.00 0.00 O ATOM 0 H SER A 5 -0.094 -18.707 3.108 1.00 0.00 H new ATOM 0 HA SER A 5 -0.494 -17.416 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.003 -20.079 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.726 -20.133 0.490 1.00 0.00 H new ATOM 0 HG SER A 5 -1.213 -19.779 -1.744 1.00 0.00 H new ATOM 50 N SER A 6 -2.933 -17.193 1.236 1.00 0.00 N ATOM 51 CA SER A 6 -4.245 -16.861 1.779 1.00 0.00 C ATOM 52 C SER A 6 -5.071 -16.076 0.766 1.00 0.00 C ATOM 53 O SER A 6 -6.146 -16.512 0.354 1.00 0.00 O ATOM 54 CB SER A 6 -4.096 -16.053 3.069 1.00 0.00 C ATOM 55 OG SER A 6 -3.821 -16.898 4.172 1.00 0.00 O ATOM 0 H SER A 6 -2.701 -16.709 0.369 1.00 0.00 H new ATOM 0 HA SER A 6 -4.765 -17.793 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.292 -15.326 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.011 -15.491 3.257 1.00 0.00 H new ATOM 0 HG SER A 6 -3.505 -17.767 3.848 1.00 0.00 H new ATOM 61 N GLY A 7 -4.561 -14.916 0.366 1.00 0.00 N ATOM 62 CA GLY A 7 -5.264 -14.087 -0.595 1.00 0.00 C ATOM 63 C GLY A 7 -4.507 -12.817 -0.931 1.00 0.00 C ATOM 64 O GLY A 7 -4.512 -12.369 -2.078 1.00 0.00 O ATOM 0 H GLY A 7 -3.672 -14.535 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.432 -14.658 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.245 -13.827 -0.197 1.00 0.00 H new ATOM 68 N VAL A 8 -3.858 -12.236 0.072 1.00 0.00 N ATOM 69 CA VAL A 8 -3.094 -11.010 -0.121 1.00 0.00 C ATOM 70 C VAL A 8 -1.894 -11.250 -1.033 1.00 0.00 C ATOM 71 O VAL A 8 -1.477 -10.359 -1.773 1.00 0.00 O ATOM 72 CB VAL A 8 -2.597 -10.438 1.221 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.934 -9.084 1.014 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.745 -10.329 2.214 1.00 0.00 C ATOM 0 H VAL A 8 -3.846 -12.595 1.027 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.766 -10.289 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.854 -11.122 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.590 -8.697 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.084 -9.194 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.653 -8.390 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.375 -9.923 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.513 -9.668 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.171 -11.317 2.388 1.00 0.00 H new ATOM 84 N SER A 9 -1.344 -12.458 -0.972 1.00 0.00 N ATOM 85 CA SER A 9 -0.192 -12.815 -1.793 1.00 0.00 C ATOM 86 C SER A 9 -0.593 -12.970 -3.256 1.00 0.00 C ATOM 87 O SER A 9 0.197 -12.695 -4.159 1.00 0.00 O ATOM 88 CB SER A 9 0.439 -14.113 -1.284 1.00 0.00 C ATOM 89 OG SER A 9 1.773 -14.246 -1.744 1.00 0.00 O ATOM 0 H SER A 9 -1.677 -13.206 -0.363 1.00 0.00 H new ATOM 0 HA SER A 9 0.539 -12.010 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.424 -14.125 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.152 -14.965 -1.621 1.00 0.00 H new ATOM 0 HG SER A 9 2.154 -15.082 -1.404 1.00 0.00 H new ATOM 95 N GLN A 10 -1.826 -13.413 -3.483 1.00 0.00 N ATOM 96 CA GLN A 10 -2.331 -13.604 -4.838 1.00 0.00 C ATOM 97 C GLN A 10 -2.595 -12.263 -5.515 1.00 0.00 C ATOM 98 O GLN A 10 -2.321 -12.092 -6.702 1.00 0.00 O ATOM 99 CB GLN A 10 -3.614 -14.436 -4.813 1.00 0.00 C ATOM 100 CG GLN A 10 -4.016 -14.977 -6.175 1.00 0.00 C ATOM 101 CD GLN A 10 -5.103 -16.030 -6.088 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.938 -17.149 -6.573 1.00 0.00 O ATOM 103 NE2 GLN A 10 -6.221 -15.676 -5.467 1.00 0.00 N ATOM 0 H GLN A 10 -2.493 -13.646 -2.747 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.571 -14.136 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.482 -15.271 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.426 -13.824 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.362 -14.154 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.141 -15.404 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.314 -14.737 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.987 -16.343 -5.377 1.00 0.00 H new ATOM 112 N ARG A 11 -3.128 -11.315 -4.751 1.00 0.00 N ATOM 113 CA ARG A 11 -3.428 -9.988 -5.277 1.00 0.00 C ATOM 114 C ARG A 11 -2.152 -9.280 -5.728 1.00 0.00 C ATOM 115 O ARG A 11 -1.059 -9.594 -5.259 1.00 0.00 O ATOM 116 CB ARG A 11 -4.147 -9.148 -4.220 1.00 0.00 C ATOM 117 CG ARG A 11 -5.545 -9.646 -3.894 1.00 0.00 C ATOM 118 CD ARG A 11 -6.510 -9.385 -5.040 1.00 0.00 C ATOM 119 NE ARG A 11 -7.677 -10.262 -4.983 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.714 -10.062 -4.174 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.735 -9.020 -3.353 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.736 -10.908 -4.185 1.00 0.00 N ATOM 0 H ARG A 11 -3.361 -11.441 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.081 -10.106 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.551 -9.140 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.210 -8.117 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.511 -10.714 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.907 -9.153 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.836 -8.345 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.994 -9.530 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.698 -11.075 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.953 -8.366 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.534 -8.873 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.726 -11.711 -4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.531 -10.755 -3.565 1.00 0.00 H new ATOM 136 N PRO A 12 -2.278 -8.309 -6.650 1.00 0.00 N ATOM 137 CA PRO A 12 -1.130 -7.554 -7.163 1.00 0.00 C ATOM 138 C PRO A 12 -0.265 -6.980 -6.046 1.00 0.00 C ATOM 139 O PRO A 12 -0.542 -7.187 -4.865 1.00 0.00 O ATOM 140 CB PRO A 12 -1.778 -6.429 -7.971 1.00 0.00 C ATOM 141 CG PRO A 12 -3.100 -6.974 -8.384 1.00 0.00 C ATOM 142 CD PRO A 12 -3.546 -7.871 -7.263 1.00 0.00 C ATOM 0 HA PRO A 12 -0.457 -8.183 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.892 -5.526 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.171 -6.163 -8.837 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.818 -6.171 -8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.019 -7.529 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.175 -7.339 -6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.127 -8.716 -7.632 1.00 0.00 H new ATOM 150 N PHE A 13 0.782 -6.258 -6.428 1.00 0.00 N ATOM 151 CA PHE A 13 1.688 -5.652 -5.459 1.00 0.00 C ATOM 152 C PHE A 13 1.216 -4.254 -5.073 1.00 0.00 C ATOM 153 O PHE A 13 1.324 -3.849 -3.915 1.00 0.00 O ATOM 154 CB PHE A 13 3.107 -5.587 -6.027 1.00 0.00 C ATOM 155 CG PHE A 13 4.108 -4.987 -5.081 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.287 -5.519 -3.814 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.869 -3.894 -5.459 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.208 -4.969 -2.942 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.791 -3.340 -4.592 1.00 0.00 C ATOM 160 CZ PHE A 13 5.961 -3.878 -3.331 1.00 0.00 C ATOM 0 H PHE A 13 1.025 -6.078 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 13 1.692 -6.274 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.429 -6.594 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.094 -5.003 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.701 -6.372 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.740 -3.469 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.339 -5.392 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.378 -2.487 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.681 -3.447 -2.651 1.00 0.00 H new ATOM 170 N ARG A 14 0.695 -3.521 -6.050 1.00 0.00 N ATOM 171 CA ARG A 14 0.207 -2.166 -5.814 1.00 0.00 C ATOM 172 C ARG A 14 -0.976 -2.174 -4.851 1.00 0.00 C ATOM 173 O ARG A 14 -1.182 -1.221 -4.099 1.00 0.00 O ATOM 174 CB ARG A 14 -0.200 -1.511 -7.135 1.00 0.00 C ATOM 175 CG ARG A 14 -0.130 0.006 -7.108 1.00 0.00 C ATOM 176 CD ARG A 14 -0.312 0.598 -8.496 1.00 0.00 C ATOM 177 NE ARG A 14 -0.893 1.937 -8.450 1.00 0.00 N ATOM 178 CZ ARG A 14 -1.477 2.529 -9.490 1.00 0.00 C ATOM 179 NH1 ARG A 14 -1.557 1.904 -10.659 1.00 0.00 N ATOM 180 NH2 ARG A 14 -1.979 3.749 -9.361 1.00 0.00 N ATOM 0 H ARG A 14 0.599 -3.842 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 14 1.015 -1.589 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.447 -1.882 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.217 -1.815 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.900 0.395 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.831 0.320 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.653 0.639 -9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.954 -0.055 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.849 2.449 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.170 0.966 -10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.005 2.362 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.918 4.234 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.426 4.203 -10.157 1.00 0.00 H new ATOM 194 N ASP A 15 -1.750 -3.254 -4.879 1.00 0.00 N ATOM 195 CA ASP A 15 -2.913 -3.384 -4.009 1.00 0.00 C ATOM 196 C ASP A 15 -2.489 -3.570 -2.555 1.00 0.00 C ATOM 197 O ASP A 15 -3.081 -2.988 -1.647 1.00 0.00 O ATOM 198 CB ASP A 15 -3.779 -4.563 -4.454 1.00 0.00 C ATOM 199 CG ASP A 15 -4.248 -4.428 -5.889 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.552 -3.757 -6.680 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.311 -4.992 -6.222 1.00 0.00 O ATOM 0 H ASP A 15 -1.593 -4.052 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.495 -2.465 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.212 -5.488 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.646 -4.642 -3.798 1.00 0.00 H new ATOM 206 N ARG A 16 -1.462 -4.387 -2.344 1.00 0.00 N ATOM 207 CA ARG A 16 -0.959 -4.651 -1.001 1.00 0.00 C ATOM 208 C ARG A 16 -0.426 -3.375 -0.356 1.00 0.00 C ATOM 209 O ARG A 16 -0.728 -3.080 0.800 1.00 0.00 O ATOM 210 CB ARG A 16 0.141 -5.712 -1.045 1.00 0.00 C ATOM 211 CG ARG A 16 -0.381 -7.120 -1.290 1.00 0.00 C ATOM 212 CD ARG A 16 0.487 -7.872 -2.285 1.00 0.00 C ATOM 213 NE ARG A 16 1.511 -8.675 -1.622 1.00 0.00 N ATOM 214 CZ ARG A 16 2.560 -9.205 -2.249 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.726 -9.019 -3.553 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.444 -9.922 -1.570 1.00 0.00 N ATOM 0 H ARG A 16 -0.962 -4.877 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.788 -5.021 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.851 -5.455 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.688 -5.695 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.412 -7.666 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.404 -7.070 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.141 -8.519 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.964 -7.161 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 16 1.417 -8.840 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.048 -8.468 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.531 -9.427 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.321 -10.068 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.247 -10.328 -2.049 1.00 0.00 H new ATOM 230 N VAL A 17 0.369 -2.624 -1.111 1.00 0.00 N ATOM 231 CA VAL A 17 0.945 -1.380 -0.611 1.00 0.00 C ATOM 232 C VAL A 17 -0.101 -0.272 -0.553 1.00 0.00 C ATOM 233 O VAL A 17 -0.062 0.585 0.330 1.00 0.00 O ATOM 234 CB VAL A 17 2.121 -0.913 -1.488 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.834 0.265 -0.844 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.089 -2.061 -1.738 1.00 0.00 C ATOM 0 H VAL A 17 0.629 -2.854 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 17 1.310 -1.584 0.396 1.00 0.00 H new ATOM 0 HB VAL A 17 1.726 -0.585 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.662 0.580 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.134 1.092 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.218 -0.031 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.914 -1.713 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.479 -2.422 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.568 -2.872 -2.247 1.00 0.00 H new ATOM 246 N LEU A 18 -1.035 -0.296 -1.498 1.00 0.00 N ATOM 247 CA LEU A 18 -2.091 0.709 -1.554 1.00 0.00 C ATOM 248 C LEU A 18 -3.066 0.540 -0.393 1.00 0.00 C ATOM 249 O LEU A 18 -3.653 1.512 0.084 1.00 0.00 O ATOM 250 CB LEU A 18 -2.843 0.616 -2.884 1.00 0.00 C ATOM 251 CG LEU A 18 -4.022 1.579 -3.031 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.540 3.022 -3.017 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.792 1.284 -4.310 1.00 0.00 C ATOM 0 H LEU A 18 -1.082 -1.000 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.627 1.692 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.139 0.801 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.209 -0.403 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.692 1.435 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.393 3.692 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.033 3.227 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.848 3.183 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.628 1.978 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.130 1.400 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.170 0.262 -4.279 1.00 0.00 H new ATOM 265 N HIS A 19 -3.236 -0.699 0.058 1.00 0.00 N ATOM 266 CA HIS A 19 -4.141 -0.992 1.163 1.00 0.00 C ATOM 267 C HIS A 19 -3.479 -0.693 2.504 1.00 0.00 C ATOM 268 O HIS A 19 -4.151 -0.328 3.471 1.00 0.00 O ATOM 269 CB HIS A 19 -4.581 -2.457 1.114 1.00 0.00 C ATOM 270 CG HIS A 19 -5.775 -2.694 0.243 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.699 -2.999 -1.098 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.098 -2.667 0.546 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.949 -3.144 -1.558 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.836 -2.953 -0.599 1.00 0.00 N ATOM 0 H HIS A 19 -2.759 -1.515 -0.325 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.017 -0.352 1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.752 -3.065 0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.807 -2.794 2.126 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.843 -3.097 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.512 -2.457 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.199 -3.386 -2.581 1.00 0.00 H new ATOM 282 N LEU A 20 -2.161 -0.852 2.559 1.00 0.00 N ATOM 283 CA LEU A 20 -1.411 -0.601 3.783 1.00 0.00 C ATOM 284 C LEU A 20 -1.470 0.875 4.168 1.00 0.00 C ATOM 285 O LEU A 20 -1.845 1.220 5.288 1.00 0.00 O ATOM 286 CB LEU A 20 0.045 -1.039 3.613 1.00 0.00 C ATOM 287 CG LEU A 20 0.327 -2.499 3.973 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.583 -2.989 3.270 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.459 -2.658 5.480 1.00 0.00 C ATOM 0 H LEU A 20 -1.590 -1.154 1.769 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.867 -1.183 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.340 -0.872 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.676 -0.400 4.231 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.512 -3.107 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.768 -4.029 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.450 -2.910 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.433 -2.379 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.659 -3.702 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.280 -2.039 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.468 -2.347 5.961 1.00 0.00 H new ATOM 301 N LEU A 21 -1.096 1.741 3.232 1.00 0.00 N ATOM 302 CA LEU A 21 -1.108 3.180 3.474 1.00 0.00 C ATOM 303 C LEU A 21 -2.527 3.681 3.723 1.00 0.00 C ATOM 304 O LEU A 21 -2.730 4.679 4.416 1.00 0.00 O ATOM 305 CB LEU A 21 -0.494 3.924 2.286 1.00 0.00 C ATOM 306 CG LEU A 21 0.859 3.393 1.816 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.315 4.127 0.564 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.897 3.524 2.922 1.00 0.00 C ATOM 0 H LEU A 21 -0.781 1.472 2.300 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.512 3.376 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.193 3.882 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.381 4.974 2.555 1.00 0.00 H new ATOM 0 HG LEU A 21 0.748 2.336 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.281 3.735 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.583 3.981 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.409 5.191 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.855 3.141 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.005 4.573 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.576 2.952 3.792 1.00 0.00 H new ATOM 320 N ALA A 22 -3.506 2.984 3.154 1.00 0.00 N ATOM 321 CA ALA A 22 -4.906 3.359 3.313 1.00 0.00 C ATOM 322 C ALA A 22 -5.292 3.449 4.787 1.00 0.00 C ATOM 323 O ALA A 22 -6.170 4.225 5.162 1.00 0.00 O ATOM 324 CB ALA A 22 -5.803 2.364 2.593 1.00 0.00 C ATOM 0 H ALA A 22 -3.355 2.156 2.578 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.042 4.345 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.846 2.656 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.556 2.353 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.651 1.369 3.011 1.00 0.00 H new ATOM 330 N LEU A 23 -4.629 2.651 5.618 1.00 0.00 N ATOM 331 CA LEU A 23 -4.903 2.641 7.050 1.00 0.00 C ATOM 332 C LEU A 23 -4.143 3.758 7.758 1.00 0.00 C ATOM 333 O LEU A 23 -4.725 4.772 8.142 1.00 0.00 O ATOM 334 CB LEU A 23 -4.525 1.287 7.655 1.00 0.00 C ATOM 335 CG LEU A 23 -5.507 0.151 7.365 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.072 -1.124 8.071 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.914 0.544 7.789 1.00 0.00 C ATOM 0 H LEU A 23 -3.898 2.003 5.324 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.971 2.808 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.542 1.001 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.434 1.402 8.735 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.511 -0.037 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.783 -1.921 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.082 -1.415 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.039 -0.951 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.600 -0.275 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.925 0.758 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.226 1.431 7.238 1.00 0.00 H new ATOM 349 N ARG A 24 -2.838 3.565 7.925 1.00 0.00 N ATOM 350 CA ARG A 24 -1.998 4.557 8.587 1.00 0.00 C ATOM 351 C ARG A 24 -0.686 4.752 7.832 1.00 0.00 C ATOM 352 O ARG A 24 -0.282 3.898 7.042 1.00 0.00 O ATOM 353 CB ARG A 24 -1.710 4.133 10.029 1.00 0.00 C ATOM 354 CG ARG A 24 -0.966 2.812 10.137 1.00 0.00 C ATOM 355 CD ARG A 24 -0.816 2.374 11.585 1.00 0.00 C ATOM 356 NE ARG A 24 -1.051 0.941 11.750 1.00 0.00 N ATOM 357 CZ ARG A 24 -2.263 0.388 11.783 1.00 0.00 C ATOM 358 NH1 ARG A 24 -3.347 1.143 11.665 1.00 0.00 N ATOM 359 NH2 ARG A 24 -2.388 -0.923 11.935 1.00 0.00 N ATOM 0 H ARG A 24 -2.340 2.732 7.611 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.537 5.504 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.124 4.911 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.652 4.055 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.501 2.045 9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.019 2.910 9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.186 2.620 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.517 2.930 12.207 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.241 0.329 11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.255 2.152 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.272 0.714 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.557 -1.507 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.315 -1.347 11.960 1.00 0.00 H new ATOM 373 N PRO A 25 0.001 5.884 8.066 1.00 0.00 N ATOM 374 CA PRO A 25 1.275 6.185 7.403 1.00 0.00 C ATOM 375 C PRO A 25 2.312 5.088 7.619 1.00 0.00 C ATOM 376 O PRO A 25 2.534 4.644 8.745 1.00 0.00 O ATOM 377 CB PRO A 25 1.730 7.488 8.069 1.00 0.00 C ATOM 378 CG PRO A 25 0.482 8.101 8.604 1.00 0.00 C ATOM 379 CD PRO A 25 -0.407 6.954 8.992 1.00 0.00 C ATOM 0 HA PRO A 25 1.161 6.263 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.448 7.295 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.219 8.148 7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.696 8.737 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.003 8.730 7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.259 6.664 10.032 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.461 7.205 8.878 1.00 0.00 H new ATOM 387 N TYR A 26 2.943 4.656 6.533 1.00 0.00 N ATOM 388 CA TYR A 26 3.958 3.610 6.604 1.00 0.00 C ATOM 389 C TYR A 26 5.244 4.053 5.916 1.00 0.00 C ATOM 390 O TYR A 26 5.304 4.148 4.690 1.00 0.00 O ATOM 391 CB TYR A 26 3.439 2.322 5.961 1.00 0.00 C ATOM 392 CG TYR A 26 2.739 1.398 6.932 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.460 0.669 7.868 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.357 1.257 6.913 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.825 -0.177 8.758 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.714 0.415 7.800 1.00 0.00 C ATOM 397 CZ TYR A 26 1.453 -0.300 8.719 1.00 0.00 C ATOM 398 OH TYR A 26 0.816 -1.141 9.604 1.00 0.00 O ATOM 0 H TYR A 26 2.770 5.013 5.593 1.00 0.00 H new ATOM 0 HA TYR A 26 4.176 3.421 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.750 2.580 5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.275 1.791 5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.535 0.764 7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.776 1.815 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.401 -0.738 9.479 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.361 0.317 7.774 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.151 -1.112 9.445 1.00 0.00 H new ATOM 408 N ARG A 27 6.273 4.324 6.712 1.00 0.00 N ATOM 409 CA ARG A 27 7.560 4.758 6.179 1.00 0.00 C ATOM 410 C ARG A 27 8.146 3.704 5.246 1.00 0.00 C ATOM 411 O ARG A 27 7.516 2.681 4.974 1.00 0.00 O ATOM 412 CB ARG A 27 8.537 5.048 7.319 1.00 0.00 C ATOM 413 CG ARG A 27 8.004 6.040 8.340 1.00 0.00 C ATOM 414 CD ARG A 27 8.653 5.844 9.700 1.00 0.00 C ATOM 415 NE ARG A 27 8.314 6.919 10.630 1.00 0.00 N ATOM 416 CZ ARG A 27 8.534 6.862 11.942 1.00 0.00 C ATOM 417 NH1 ARG A 27 9.094 5.786 12.481 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.196 7.884 12.715 1.00 0.00 N ATOM 0 H ARG A 27 6.241 4.251 7.729 1.00 0.00 H new ATOM 0 HA ARG A 27 7.398 5.672 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.779 4.114 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.466 5.434 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.188 7.056 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.924 5.925 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.335 4.889 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.735 5.796 9.581 1.00 0.00 H new ATOM 0 HE ARG A 27 7.883 7.763 10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.358 4.998 11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.260 5.747 13.487 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.767 8.714 12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.364 7.841 13.720 1.00 0.00 H new ATOM 432 N LYS A 28 9.356 3.960 4.758 1.00 0.00 N ATOM 433 CA LYS A 28 10.028 3.033 3.854 1.00 0.00 C ATOM 434 C LYS A 28 10.366 1.727 4.568 1.00 0.00 C ATOM 435 O LYS A 28 10.021 0.644 4.096 1.00 0.00 O ATOM 436 CB LYS A 28 11.302 3.670 3.293 1.00 0.00 C ATOM 437 CG LYS A 28 11.172 4.112 1.844 1.00 0.00 C ATOM 438 CD LYS A 28 12.070 3.296 0.927 1.00 0.00 C ATOM 439 CE LYS A 28 11.343 2.083 0.370 1.00 0.00 C ATOM 440 NZ LYS A 28 12.098 1.444 -0.742 1.00 0.00 N ATOM 0 H LYS A 28 9.891 4.801 4.973 1.00 0.00 H new ATOM 0 HA LYS A 28 9.350 2.809 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.568 4.532 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.122 2.956 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.135 4.010 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.429 5.168 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.418 3.922 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.954 2.971 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.187 1.356 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.357 2.383 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.434 0.955 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.614 2.173 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.774 0.757 -0.352 1.00 0.00 H new ATOM 454 N ALA A 29 11.042 1.838 5.706 1.00 0.00 N ATOM 455 CA ALA A 29 11.426 0.665 6.484 1.00 0.00 C ATOM 456 C ALA A 29 10.213 0.036 7.162 1.00 0.00 C ATOM 457 O ALA A 29 10.087 -1.187 7.220 1.00 0.00 O ATOM 458 CB ALA A 29 12.476 1.040 7.518 1.00 0.00 C ATOM 0 H ALA A 29 11.335 2.727 6.110 1.00 0.00 H new ATOM 0 HA ALA A 29 11.851 -0.071 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.754 0.156 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.357 1.437 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.071 1.796 8.190 1.00 0.00 H new ATOM 464 N GLU A 30 9.324 0.880 7.674 1.00 0.00 N ATOM 465 CA GLU A 30 8.121 0.407 8.348 1.00 0.00 C ATOM 466 C GLU A 30 7.241 -0.395 7.394 1.00 0.00 C ATOM 467 O GLU A 30 6.524 -1.305 7.812 1.00 0.00 O ATOM 468 CB GLU A 30 7.335 1.590 8.920 1.00 0.00 C ATOM 469 CG GLU A 30 7.193 1.551 10.433 1.00 0.00 C ATOM 470 CD GLU A 30 6.574 0.258 10.928 1.00 0.00 C ATOM 471 OE1 GLU A 30 7.324 -0.719 11.130 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.339 0.224 11.113 1.00 0.00 O ATOM 0 H GLU A 30 9.414 1.895 7.635 1.00 0.00 H new ATOM 0 HA GLU A 30 8.424 -0.247 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.831 2.518 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.342 1.607 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.175 1.678 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.579 2.391 10.758 1.00 0.00 H new ATOM 479 N LEU A 31 7.299 -0.051 6.111 1.00 0.00 N ATOM 480 CA LEU A 31 6.505 -0.740 5.099 1.00 0.00 C ATOM 481 C LEU A 31 7.257 -1.945 4.542 1.00 0.00 C ATOM 482 O LEU A 31 6.654 -2.963 4.205 1.00 0.00 O ATOM 483 CB LEU A 31 6.147 0.220 3.963 1.00 0.00 C ATOM 484 CG LEU A 31 5.088 -0.297 2.987 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.749 -0.459 3.690 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.959 0.643 1.797 1.00 0.00 C ATOM 0 H LEU A 31 7.887 0.700 5.748 1.00 0.00 H new ATOM 0 HA LEU A 31 5.589 -1.094 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.794 1.156 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.053 0.450 3.403 1.00 0.00 H new ATOM 0 HG LEU A 31 5.402 -1.274 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.008 -0.827 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.852 -1.170 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.426 0.505 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.202 0.261 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.667 1.633 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.916 0.709 1.280 1.00 0.00 H new ATOM 498 N LEU A 32 8.577 -1.822 4.447 1.00 0.00 N ATOM 499 CA LEU A 32 9.411 -2.900 3.930 1.00 0.00 C ATOM 500 C LEU A 32 9.361 -4.117 4.850 1.00 0.00 C ATOM 501 O LEU A 32 9.115 -5.237 4.400 1.00 0.00 O ATOM 502 CB LEU A 32 10.856 -2.425 3.771 1.00 0.00 C ATOM 503 CG LEU A 32 11.125 -1.582 2.523 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.468 -0.876 2.637 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.081 -2.450 1.275 1.00 0.00 C ATOM 0 H LEU A 32 9.092 -0.986 4.722 1.00 0.00 H new ATOM 0 HA LEU A 32 9.022 -3.189 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.130 -1.843 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.509 -3.297 3.750 1.00 0.00 H new ATOM 0 HG LEU A 32 10.345 -0.825 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.643 -0.281 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.463 -0.224 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.261 -1.617 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.274 -1.834 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.840 -3.229 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.097 -2.910 1.186 1.00 0.00 H new ATOM 517 N LEU A 33 9.596 -3.890 6.138 1.00 0.00 N ATOM 518 CA LEU A 33 9.579 -4.969 7.119 1.00 0.00 C ATOM 519 C LEU A 33 8.194 -5.601 7.210 1.00 0.00 C ATOM 520 O LEU A 33 8.065 -6.807 7.424 1.00 0.00 O ATOM 521 CB LEU A 33 10.004 -4.444 8.492 1.00 0.00 C ATOM 522 CG LEU A 33 11.428 -3.889 8.562 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.633 -3.107 9.849 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.444 -5.015 8.451 1.00 0.00 C ATOM 0 H LEU A 33 9.800 -2.969 6.527 1.00 0.00 H new ATOM 0 HA LEU A 33 10.286 -5.733 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.310 -3.660 8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.909 -5.252 9.218 1.00 0.00 H new ATOM 0 HG LEU A 33 11.575 -3.210 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.651 -2.720 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.928 -2.277 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.467 -3.763 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.452 -4.602 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.298 -5.719 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.312 -5.532 7.500 1.00 0.00 H new ATOM 536 N ARG A 34 7.162 -4.781 7.047 1.00 0.00 N ATOM 537 CA ARG A 34 5.786 -5.261 7.112 1.00 0.00 C ATOM 538 C ARG A 34 5.445 -6.104 5.886 1.00 0.00 C ATOM 539 O ARG A 34 4.889 -7.195 6.006 1.00 0.00 O ATOM 540 CB ARG A 34 4.817 -4.082 7.223 1.00 0.00 C ATOM 541 CG ARG A 34 3.743 -4.275 8.282 1.00 0.00 C ATOM 542 CD ARG A 34 2.829 -5.444 7.944 1.00 0.00 C ATOM 543 NE ARG A 34 1.426 -5.134 8.202 1.00 0.00 N ATOM 544 CZ ARG A 34 0.880 -5.120 9.415 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.616 -5.401 10.484 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.404 -4.826 9.562 1.00 0.00 N ATOM 0 H ARG A 34 7.252 -3.781 6.869 1.00 0.00 H new ATOM 0 HA ARG A 34 5.687 -5.887 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.382 -3.178 7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.338 -3.923 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.213 -4.447 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.152 -3.364 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.954 -5.710 6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.122 -6.315 8.531 1.00 0.00 H new ATOM 0 HE ARG A 34 0.829 -4.915 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.604 -5.629 10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.193 -5.389 11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.975 -4.610 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.822 -4.816 10.493 1.00 0.00 H new ATOM 560 N LEU A 35 5.782 -5.589 4.708 1.00 0.00 N ATOM 561 CA LEU A 35 5.510 -6.293 3.461 1.00 0.00 C ATOM 562 C LEU A 35 6.283 -7.606 3.396 1.00 0.00 C ATOM 563 O LEU A 35 5.802 -8.595 2.843 1.00 0.00 O ATOM 564 CB LEU A 35 5.877 -5.413 2.264 1.00 0.00 C ATOM 565 CG LEU A 35 4.773 -4.461 1.797 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.337 -3.416 0.847 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.648 -5.238 1.132 1.00 0.00 C ATOM 0 H LEU A 35 6.244 -4.687 4.591 1.00 0.00 H new ATOM 0 HA LEU A 35 4.444 -6.518 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.758 -4.825 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.156 -6.058 1.431 1.00 0.00 H new ATOM 0 HG LEU A 35 4.367 -3.948 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.538 -2.748 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.109 -2.839 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.769 -3.911 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.871 -4.546 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.039 -5.778 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.226 -5.948 1.843 1.00 0.00 H new ATOM 579 N GLN A 36 7.485 -7.607 3.964 1.00 0.00 N ATOM 580 CA GLN A 36 8.326 -8.799 3.971 1.00 0.00 C ATOM 581 C GLN A 36 7.628 -9.954 4.683 1.00 0.00 C ATOM 582 O GLN A 36 7.839 -11.121 4.348 1.00 0.00 O ATOM 583 CB GLN A 36 9.666 -8.499 4.649 1.00 0.00 C ATOM 584 CG GLN A 36 10.869 -8.970 3.849 1.00 0.00 C ATOM 585 CD GLN A 36 12.161 -8.885 4.637 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.903 -7.909 4.530 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.439 -9.911 5.434 1.00 0.00 N ATOM 0 H GLN A 36 7.898 -6.796 4.425 1.00 0.00 H new ATOM 0 HA GLN A 36 8.508 -9.092 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.748 -7.425 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.683 -8.975 5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.709 -10.000 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.958 -8.367 2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.796 -10.700 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.296 -9.909 5.987 1.00 0.00 H new ATOM 596 N LYS A 37 6.798 -9.623 5.666 1.00 0.00 N ATOM 597 CA LYS A 37 6.069 -10.633 6.425 1.00 0.00 C ATOM 598 C LYS A 37 5.036 -11.334 5.548 1.00 0.00 C ATOM 599 O LYS A 37 4.754 -12.518 5.730 1.00 0.00 O ATOM 600 CB LYS A 37 5.382 -9.996 7.633 1.00 0.00 C ATOM 601 CG LYS A 37 6.345 -9.319 8.594 1.00 0.00 C ATOM 602 CD LYS A 37 5.762 -9.224 9.994 1.00 0.00 C ATOM 603 CE LYS A 37 4.560 -8.294 10.035 1.00 0.00 C ATOM 604 NZ LYS A 37 4.125 -8.009 11.430 1.00 0.00 N ATOM 0 H LYS A 37 6.613 -8.663 5.956 1.00 0.00 H new ATOM 0 HA LYS A 37 6.786 -11.376 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.656 -9.262 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.825 -10.764 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.281 -9.877 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.582 -8.320 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.467 -10.217 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.526 -8.864 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.808 -7.358 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.735 -8.743 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.303 -7.372 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.864 -8.899 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.904 -7.557 11.951 1.00 0.00 H new ATOM 618 N ASP A 38 4.476 -10.595 4.596 1.00 0.00 N ATOM 619 CA ASP A 38 3.473 -11.146 3.692 1.00 0.00 C ATOM 620 C ASP A 38 4.127 -11.717 2.438 1.00 0.00 C ATOM 621 O ASP A 38 3.770 -12.803 1.980 1.00 0.00 O ATOM 622 CB ASP A 38 2.457 -10.069 3.306 1.00 0.00 C ATOM 623 CG ASP A 38 1.073 -10.639 3.070 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.922 -11.475 2.155 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.138 -10.250 3.802 1.00 0.00 O ATOM 0 H ASP A 38 4.700 -9.614 4.431 1.00 0.00 H new ATOM 0 HA ASP A 38 2.956 -11.953 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.408 -9.319 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.796 -9.560 2.404 1.00 0.00 H new ATOM 630 N GLY A 39 5.085 -10.979 1.887 1.00 0.00 N ATOM 631 CA GLY A 39 5.773 -11.428 0.692 1.00 0.00 C ATOM 632 C GLY A 39 6.500 -10.302 -0.016 1.00 0.00 C ATOM 633 O GLY A 39 5.914 -9.596 -0.838 1.00 0.00 O ATOM 0 H GLY A 39 5.397 -10.077 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.488 -12.207 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.052 -11.877 0.009 1.00 0.00 H new ATOM 637 N LEU A 40 7.778 -10.132 0.303 1.00 0.00 N ATOM 638 CA LEU A 40 8.586 -9.083 -0.307 1.00 0.00 C ATOM 639 C LEU A 40 9.869 -9.657 -0.900 1.00 0.00 C ATOM 640 O LEU A 40 10.532 -10.490 -0.281 1.00 0.00 O ATOM 641 CB LEU A 40 8.925 -8.007 0.727 1.00 0.00 C ATOM 642 CG LEU A 40 9.526 -6.722 0.153 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.498 -5.980 -0.687 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.046 -5.833 1.271 1.00 0.00 C ATOM 0 H LEU A 40 8.277 -10.708 0.981 1.00 0.00 H new ATOM 0 HA LEU A 40 8.005 -8.634 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.018 -7.752 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.626 -8.427 1.449 1.00 0.00 H new ATOM 0 HG LEU A 40 10.364 -6.991 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.944 -5.069 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.173 -6.616 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.639 -5.722 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.470 -4.924 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.226 -5.572 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.816 -6.365 1.831 1.00 0.00 H new ATOM 656 N THR A 41 10.214 -9.207 -2.102 1.00 0.00 N ATOM 657 CA THR A 41 11.417 -9.676 -2.778 1.00 0.00 C ATOM 658 C THR A 41 12.274 -8.502 -3.242 1.00 0.00 C ATOM 659 O THR A 41 11.934 -7.343 -3.007 1.00 0.00 O ATOM 660 CB THR A 41 11.047 -10.555 -3.974 1.00 0.00 C ATOM 661 OG1 THR A 41 10.033 -9.942 -4.752 1.00 0.00 O ATOM 662 CG2 THR A 41 10.551 -11.929 -3.577 1.00 0.00 C ATOM 0 H THR A 41 9.677 -8.518 -2.628 1.00 0.00 H new ATOM 0 HA THR A 41 11.995 -10.266 -2.067 1.00 0.00 H new ATOM 0 HB THR A 41 11.969 -10.669 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.811 -10.518 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.306 -12.500 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.328 -12.448 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.661 -11.829 -2.956 1.00 0.00 H new ATOM 670 N GLN A 42 13.386 -8.811 -3.899 1.00 0.00 N ATOM 671 CA GLN A 42 14.293 -7.781 -4.395 1.00 0.00 C ATOM 672 C GLN A 42 13.607 -6.911 -5.444 1.00 0.00 C ATOM 673 O GLN A 42 13.873 -5.712 -5.539 1.00 0.00 O ATOM 674 CB GLN A 42 15.549 -8.422 -4.989 1.00 0.00 C ATOM 675 CG GLN A 42 16.761 -7.506 -4.981 1.00 0.00 C ATOM 676 CD GLN A 42 17.476 -7.498 -3.644 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.442 -8.234 -3.439 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.005 -6.663 -2.726 1.00 0.00 N ATOM 0 H GLN A 42 13.682 -9.766 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 42 14.579 -7.148 -3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.784 -9.327 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.341 -8.727 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.456 -7.822 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.447 -6.492 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.202 -6.071 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.446 -6.613 -1.808 1.00 0.00 H new ATOM 687 N ALA A 43 12.726 -7.521 -6.229 1.00 0.00 N ATOM 688 CA ALA A 43 12.004 -6.801 -7.271 1.00 0.00 C ATOM 689 C ALA A 43 10.980 -5.845 -6.668 1.00 0.00 C ATOM 690 O ALA A 43 10.810 -4.722 -7.143 1.00 0.00 O ATOM 691 CB ALA A 43 11.324 -7.781 -8.214 1.00 0.00 C ATOM 0 H ALA A 43 12.495 -8.512 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 43 12.724 -6.210 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.789 -7.230 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.075 -8.420 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.620 -8.396 -7.654 1.00 0.00 H new ATOM 697 N ASP A 44 10.298 -6.299 -5.621 1.00 0.00 N ATOM 698 CA ASP A 44 9.289 -5.484 -4.954 1.00 0.00 C ATOM 699 C ASP A 44 9.941 -4.449 -4.042 1.00 0.00 C ATOM 700 O ASP A 44 9.402 -3.362 -3.834 1.00 0.00 O ATOM 701 CB ASP A 44 8.341 -6.370 -4.146 1.00 0.00 C ATOM 702 CG ASP A 44 7.674 -7.431 -4.998 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.452 -7.175 -6.200 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.374 -8.519 -4.463 1.00 0.00 O ATOM 0 H ASP A 44 10.426 -7.227 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 44 8.718 -4.958 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.896 -6.851 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.576 -5.749 -3.680 1.00 0.00 H new ATOM 709 N LYS A 45 11.104 -4.795 -3.498 1.00 0.00 N ATOM 710 CA LYS A 45 11.829 -3.897 -2.607 1.00 0.00 C ATOM 711 C LYS A 45 12.176 -2.590 -3.315 1.00 0.00 C ATOM 712 O LYS A 45 11.709 -1.519 -2.928 1.00 0.00 O ATOM 713 CB LYS A 45 13.105 -4.571 -2.097 1.00 0.00 C ATOM 714 CG LYS A 45 12.963 -5.173 -0.710 1.00 0.00 C ATOM 715 CD LYS A 45 14.309 -5.298 -0.014 1.00 0.00 C ATOM 716 CE LYS A 45 14.478 -4.243 1.069 1.00 0.00 C ATOM 717 NZ LYS A 45 13.696 -4.573 2.293 1.00 0.00 N ATOM 0 H LYS A 45 11.564 -5.691 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 45 11.184 -3.668 -1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.396 -5.355 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.913 -3.839 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.298 -4.552 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.499 -6.156 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.401 -6.291 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.109 -5.199 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.533 -4.152 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.159 -3.274 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.526 -3.705 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.785 -4.994 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.230 -5.251 2.874 1.00 0.00 H new ATOM 731 N ASP A 46 12.999 -2.687 -4.354 1.00 0.00 N ATOM 732 CA ASP A 46 13.410 -1.514 -5.117 1.00 0.00 C ATOM 733 C ASP A 46 12.202 -0.802 -5.716 1.00 0.00 C ATOM 734 O ASP A 46 12.147 0.428 -5.749 1.00 0.00 O ATOM 735 CB ASP A 46 14.381 -1.918 -6.228 1.00 0.00 C ATOM 736 CG ASP A 46 15.223 -0.754 -6.711 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.597 0.096 -5.875 1.00 0.00 O ATOM 738 OD2 ASP A 46 15.509 -0.691 -7.925 1.00 0.00 O ATOM 0 H ASP A 46 13.395 -3.566 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 46 13.912 -0.827 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.036 -2.710 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.819 -2.329 -7.067 1.00 0.00 H new ATOM 743 N ALA A 47 11.236 -1.581 -6.187 1.00 0.00 N ATOM 744 CA ALA A 47 10.028 -1.024 -6.785 1.00 0.00 C ATOM 745 C ALA A 47 9.195 -0.276 -5.750 1.00 0.00 C ATOM 746 O ALA A 47 8.473 0.664 -6.082 1.00 0.00 O ATOM 747 CB ALA A 47 9.203 -2.127 -7.433 1.00 0.00 C ATOM 0 H ALA A 47 11.265 -2.600 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 47 10.329 -0.311 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.304 -1.697 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.793 -2.614 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.920 -2.861 -6.678 1.00 0.00 H new ATOM 753 N LEU A 48 9.298 -0.700 -4.493 1.00 0.00 N ATOM 754 CA LEU A 48 8.551 -0.070 -3.409 1.00 0.00 C ATOM 755 C LEU A 48 8.855 1.424 -3.330 1.00 0.00 C ATOM 756 O LEU A 48 7.975 2.232 -3.034 1.00 0.00 O ATOM 757 CB LEU A 48 8.887 -0.740 -2.075 1.00 0.00 C ATOM 758 CG LEU A 48 8.023 -0.297 -0.893 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.818 -1.212 -0.740 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.844 -0.276 0.388 1.00 0.00 C ATOM 0 H LEU A 48 9.891 -1.477 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 48 7.488 -0.195 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.789 -1.819 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.932 -0.539 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 48 7.664 0.713 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.215 -0.881 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.217 -1.178 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.156 -2.234 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.214 0.041 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.232 -1.275 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.675 0.420 0.276 1.00 0.00 H new ATOM 772 N ASP A 49 10.107 1.784 -3.597 1.00 0.00 N ATOM 773 CA ASP A 49 10.527 3.179 -3.556 1.00 0.00 C ATOM 774 C ASP A 49 9.763 4.010 -4.581 1.00 0.00 C ATOM 775 O ASP A 49 9.128 5.007 -4.239 1.00 0.00 O ATOM 776 CB ASP A 49 12.030 3.289 -3.812 1.00 0.00 C ATOM 777 CG ASP A 49 12.667 4.429 -3.041 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.319 5.597 -3.313 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.515 4.153 -2.165 1.00 0.00 O ATOM 0 H ASP A 49 10.848 1.128 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 49 10.305 3.568 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.512 2.352 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.204 3.433 -4.878 1.00 0.00 H new ATOM 784 N GLY A 50 9.830 3.594 -5.841 1.00 0.00 N ATOM 785 CA GLY A 50 9.141 4.311 -6.898 1.00 0.00 C ATOM 786 C GLY A 50 7.632 4.240 -6.762 1.00 0.00 C ATOM 787 O GLY A 50 6.928 5.195 -7.088 1.00 0.00 O ATOM 0 H GLY A 50 10.350 2.772 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.454 5.355 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.435 3.899 -7.863 1.00 0.00 H new ATOM 791 N LEU A 51 7.136 3.106 -6.279 1.00 0.00 N ATOM 792 CA LEU A 51 5.701 2.914 -6.103 1.00 0.00 C ATOM 793 C LEU A 51 5.145 3.884 -5.065 1.00 0.00 C ATOM 794 O LEU A 51 4.125 4.535 -5.293 1.00 0.00 O ATOM 795 CB LEU A 51 5.406 1.473 -5.681 1.00 0.00 C ATOM 796 CG LEU A 51 4.133 0.872 -6.279 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.431 0.225 -7.623 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.522 -0.140 -5.322 1.00 0.00 C ATOM 0 H LEU A 51 7.706 2.306 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 51 5.214 3.113 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.253 0.847 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.331 1.437 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 51 3.412 1.675 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.514 -0.198 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.824 0.975 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.168 -0.567 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.617 -0.558 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.237 -0.941 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.273 0.352 -4.382 1.00 0.00 H new ATOM 810 N LEU A 52 5.822 3.975 -3.924 1.00 0.00 N ATOM 811 CA LEU A 52 5.394 4.867 -2.852 1.00 0.00 C ATOM 812 C LEU A 52 5.359 6.315 -3.328 1.00 0.00 C ATOM 813 O LEU A 52 4.402 7.043 -3.064 1.00 0.00 O ATOM 814 CB LEU A 52 6.329 4.735 -1.648 1.00 0.00 C ATOM 815 CG LEU A 52 6.049 3.539 -0.738 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.194 3.335 0.243 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.736 3.734 0.006 1.00 0.00 C ATOM 0 H LEU A 52 6.668 3.443 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 52 4.386 4.579 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.355 4.664 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.263 5.647 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 52 5.965 2.646 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.977 2.479 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.117 3.152 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.310 4.228 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.551 2.874 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.793 4.637 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.922 3.831 -0.712 1.00 0.00 H new ATOM 829 N GLN A 53 6.408 6.726 -4.033 1.00 0.00 N ATOM 830 CA GLN A 53 6.496 8.089 -4.547 1.00 0.00 C ATOM 831 C GLN A 53 5.320 8.407 -5.466 1.00 0.00 C ATOM 832 O GLN A 53 4.952 9.569 -5.638 1.00 0.00 O ATOM 833 CB GLN A 53 7.814 8.287 -5.299 1.00 0.00 C ATOM 834 CG GLN A 53 9.043 8.161 -4.415 1.00 0.00 C ATOM 835 CD GLN A 53 9.252 9.376 -3.531 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.229 9.276 -2.305 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.454 10.532 -4.153 1.00 0.00 N ATOM 0 H GLN A 53 7.208 6.136 -4.261 1.00 0.00 H new ATOM 0 HA GLN A 53 6.461 8.772 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.878 7.553 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.812 9.272 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.947 7.273 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.923 8.016 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.465 10.568 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.598 11.384 -3.611 1.00 0.00 H new ATOM 846 N GLN A 54 4.735 7.369 -6.057 1.00 0.00 N ATOM 847 CA GLN A 54 3.603 7.543 -6.960 1.00 0.00 C ATOM 848 C GLN A 54 2.282 7.495 -6.197 1.00 0.00 C ATOM 849 O GLN A 54 1.509 8.453 -6.213 1.00 0.00 O ATOM 850 CB GLN A 54 3.622 6.465 -8.047 1.00 0.00 C ATOM 851 CG GLN A 54 3.830 7.018 -9.447 1.00 0.00 C ATOM 852 CD GLN A 54 2.535 7.136 -10.226 1.00 0.00 C ATOM 853 OE1 GLN A 54 2.116 8.233 -10.594 1.00 0.00 O ATOM 854 NE2 GLN A 54 1.893 6.002 -10.481 1.00 0.00 N ATOM 0 H GLN A 54 5.026 6.400 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 54 3.691 8.523 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.415 5.751 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.681 5.915 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.300 7.999 -9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.519 6.371 -9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.277 5.114 -10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.016 6.018 -11.001 1.00 0.00 H new ATOM 863 N VAL A 55 2.028 6.374 -5.531 1.00 0.00 N ATOM 864 CA VAL A 55 0.799 6.201 -4.765 1.00 0.00 C ATOM 865 C VAL A 55 1.021 6.510 -3.287 1.00 0.00 C ATOM 866 O VAL A 55 0.450 5.857 -2.413 1.00 0.00 O ATOM 867 CB VAL A 55 0.249 4.768 -4.902 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.214 4.508 -6.326 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.299 3.751 -4.481 1.00 0.00 C ATOM 0 H VAL A 55 2.657 5.571 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 55 0.072 6.903 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.611 4.663 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.599 3.491 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.001 5.215 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.626 4.631 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.893 2.745 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.180 3.854 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.578 3.925 -3.442 1.00 0.00 H new ATOM 879 N ALA A 56 1.852 7.511 -3.014 1.00 0.00 N ATOM 880 CA ALA A 56 2.146 7.906 -1.641 1.00 0.00 C ATOM 881 C ALA A 56 3.060 9.127 -1.605 1.00 0.00 C ATOM 882 O ALA A 56 3.783 9.402 -2.563 1.00 0.00 O ATOM 883 CB ALA A 56 2.776 6.746 -0.881 1.00 0.00 C ATOM 0 H ALA A 56 2.333 8.063 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 56 1.207 8.175 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.990 7.055 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.086 5.902 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.703 6.450 -1.372 1.00 0.00 H new ATOM 889 N ASN A 57 3.022 9.854 -0.494 1.00 0.00 N ATOM 890 CA ASN A 57 3.846 11.045 -0.330 1.00 0.00 C ATOM 891 C ASN A 57 5.082 10.738 0.511 1.00 0.00 C ATOM 892 O ASN A 57 5.319 9.590 0.884 1.00 0.00 O ATOM 893 CB ASN A 57 3.035 12.166 0.322 1.00 0.00 C ATOM 894 CG ASN A 57 2.364 13.063 -0.699 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.981 13.983 -1.237 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.091 12.800 -0.971 1.00 0.00 N ATOM 0 H ASN A 57 2.429 9.639 0.307 1.00 0.00 H new ATOM 0 HA ASN A 57 4.172 11.371 -1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.277 11.731 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.691 12.766 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.586 13.370 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.618 12.028 -0.502 1.00 0.00 H new ATOM 903 N MET A 58 5.865 11.771 0.804 1.00 0.00 N ATOM 904 CA MET A 58 7.074 11.609 1.601 1.00 0.00 C ATOM 905 C MET A 58 7.497 12.935 2.227 1.00 0.00 C ATOM 906 O MET A 58 7.270 14.001 1.657 1.00 0.00 O ATOM 907 CB MET A 58 8.209 11.055 0.738 1.00 0.00 C ATOM 908 CG MET A 58 9.130 10.103 1.483 1.00 0.00 C ATOM 909 SD MET A 58 10.351 9.331 0.404 1.00 0.00 S ATOM 910 CE MET A 58 10.125 7.604 0.818 1.00 0.00 C ATOM 0 H MET A 58 5.684 12.728 0.502 1.00 0.00 H new ATOM 0 HA MET A 58 6.857 10.903 2.402 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.782 10.537 -0.121 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.797 11.886 0.348 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.644 10.647 2.276 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.533 9.328 1.963 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.995 7.035 0.492 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.007 7.501 1.897 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.234 7.223 0.318 1.00 0.00 H new ATOM 920 N SER A 59 8.115 12.858 3.401 1.00 0.00 N ATOM 921 CA SER A 59 8.571 14.051 4.104 1.00 0.00 C ATOM 922 C SER A 59 10.034 14.343 3.785 1.00 0.00 C ATOM 923 O SER A 59 10.709 13.544 3.137 1.00 0.00 O ATOM 924 CB SER A 59 8.389 13.880 5.614 1.00 0.00 C ATOM 925 OG SER A 59 7.834 15.045 6.198 1.00 0.00 O ATOM 0 H SER A 59 8.311 11.982 3.885 1.00 0.00 H new ATOM 0 HA SER A 59 7.969 14.895 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.740 13.027 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.351 13.661 6.077 1.00 0.00 H new ATOM 0 HG SER A 59 7.727 14.908 7.162 1.00 0.00 H new ATOM 931 N ALA A 60 10.516 15.495 4.241 1.00 0.00 N ATOM 932 CA ALA A 60 11.898 15.893 4.004 1.00 0.00 C ATOM 933 C ALA A 60 12.791 15.507 5.178 1.00 0.00 C ATOM 934 O ALA A 60 13.975 15.221 5.002 1.00 0.00 O ATOM 935 CB ALA A 60 11.978 17.389 3.744 1.00 0.00 C ATOM 0 H ALA A 60 9.969 16.169 4.777 1.00 0.00 H new ATOM 0 HA ALA A 60 12.257 15.363 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.016 17.673 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.380 17.638 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.595 17.930 4.610 1.00 0.00 H new ATOM 941 N LYS A 61 12.215 15.500 6.375 1.00 0.00 N ATOM 942 CA LYS A 61 12.959 15.149 7.580 1.00 0.00 C ATOM 943 C LYS A 61 12.796 13.667 7.906 1.00 0.00 C ATOM 944 O LYS A 61 13.698 12.866 7.666 1.00 0.00 O ATOM 945 CB LYS A 61 12.489 16.002 8.762 1.00 0.00 C ATOM 946 CG LYS A 61 13.431 17.148 9.096 1.00 0.00 C ATOM 947 CD LYS A 61 14.664 16.656 9.836 1.00 0.00 C ATOM 948 CE LYS A 61 15.297 17.764 10.662 1.00 0.00 C ATOM 949 NZ LYS A 61 15.989 17.231 11.869 1.00 0.00 N ATOM 0 H LYS A 61 11.235 15.733 6.537 1.00 0.00 H new ATOM 0 HA LYS A 61 14.015 15.347 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.502 16.407 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.380 15.364 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.733 17.652 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.908 17.884 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.392 15.826 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.391 16.274 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.010 18.313 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.528 18.473 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.407 18.018 12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.304 16.729 12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.740 16.574 11.577 1.00 0.00 H new ATOM 963 N ASP A 62 11.639 13.311 8.456 1.00 0.00 N ATOM 964 CA ASP A 62 11.358 11.927 8.816 1.00 0.00 C ATOM 965 C ASP A 62 11.351 11.033 7.579 1.00 0.00 C ATOM 966 O ASP A 62 12.281 10.258 7.357 1.00 0.00 O ATOM 967 CB ASP A 62 10.012 11.829 9.538 1.00 0.00 C ATOM 968 CG ASP A 62 10.162 11.866 11.046 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.820 12.797 11.555 1.00 0.00 O ATOM 970 OD2 ASP A 62 9.622 10.962 11.719 1.00 0.00 O ATOM 0 H ASP A 62 10.882 13.962 8.662 1.00 0.00 H new ATOM 0 HA ASP A 62 12.147 11.585 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.371 12.651 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.513 10.904 9.248 1.00 0.00 H new ATOM 975 N GLY A 63 10.298 11.150 6.776 1.00 0.00 N ATOM 976 CA GLY A 63 10.192 10.348 5.571 1.00 0.00 C ATOM 977 C GLY A 63 9.029 9.377 5.619 1.00 0.00 C ATOM 978 O GLY A 63 9.091 8.294 5.037 1.00 0.00 O ATOM 0 H GLY A 63 9.517 11.785 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.076 11.006 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.119 9.793 5.426 1.00 0.00 H new ATOM 982 N THR A 64 7.965 9.764 6.316 1.00 0.00 N ATOM 983 CA THR A 64 6.783 8.918 6.437 1.00 0.00 C ATOM 984 C THR A 64 5.906 9.028 5.193 1.00 0.00 C ATOM 985 O THR A 64 5.589 10.129 4.742 1.00 0.00 O ATOM 986 CB THR A 64 5.978 9.304 7.680 1.00 0.00 C ATOM 987 OG1 THR A 64 6.787 10.009 8.603 1.00 0.00 O ATOM 988 CG2 THR A 64 5.389 8.111 8.404 1.00 0.00 C ATOM 0 H THR A 64 7.897 10.657 6.805 1.00 0.00 H new ATOM 0 HA THR A 64 7.115 7.884 6.535 1.00 0.00 H new ATOM 0 HB THR A 64 5.162 9.928 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.254 10.248 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.831 8.453 9.275 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.720 7.572 7.733 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.192 7.448 8.725 1.00 0.00 H new ATOM 996 N CYS A 65 5.519 7.882 4.645 1.00 0.00 N ATOM 997 CA CYS A 65 4.680 7.850 3.453 1.00 0.00 C ATOM 998 C CYS A 65 3.205 7.745 3.828 1.00 0.00 C ATOM 999 O CYS A 65 2.837 7.003 4.738 1.00 0.00 O ATOM 1000 CB CYS A 65 5.074 6.674 2.558 1.00 0.00 C ATOM 1001 SG CYS A 65 6.586 6.949 1.603 1.00 0.00 S ATOM 0 H CYS A 65 5.773 6.963 5.007 1.00 0.00 H new ATOM 0 HA CYS A 65 4.833 8.781 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.205 5.787 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.255 6.464 1.870 1.00 0.00 H new ATOM 0 HG CYS A 65 6.516 8.100 1.002 1.00 0.00 H new ATOM 1007 N THR A 66 2.366 8.495 3.121 1.00 0.00 N ATOM 1008 CA THR A 66 0.931 8.487 3.380 1.00 0.00 C ATOM 1009 C THR A 66 0.144 8.331 2.081 1.00 0.00 C ATOM 1010 O THR A 66 0.626 8.686 1.006 1.00 0.00 O ATOM 1011 CB THR A 66 0.513 9.775 4.091 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.349 10.853 3.710 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.560 9.668 5.599 1.00 0.00 C ATOM 0 H THR A 66 2.655 9.116 2.365 1.00 0.00 H new ATOM 0 HA THR A 66 0.708 7.636 4.023 1.00 0.00 H new ATOM 0 HB THR A 66 -0.519 9.950 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.064 11.668 4.174 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.252 10.616 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.114 8.878 5.929 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.576 9.434 5.916 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.068 7.798 2.191 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.921 7.595 1.026 1.00 0.00 C ATOM 1023 C LEU A 67 -2.614 8.894 0.627 1.00 0.00 C ATOM 1024 O LEU A 67 -2.934 9.724 1.476 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.965 6.514 1.314 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.656 5.935 0.078 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.764 4.907 -0.601 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.993 5.315 0.458 1.00 0.00 C ATOM 0 H LEU A 67 -1.481 7.499 3.074 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.291 7.270 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.483 5.701 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.725 6.931 1.974 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.840 6.747 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.273 4.506 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.831 5.380 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.548 4.096 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.472 4.908 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.831 4.515 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.635 6.077 0.899 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.839 9.062 -0.672 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.493 10.261 -1.186 1.00 0.00 C ATOM 1042 C GLN A 68 -5.003 10.189 -0.981 1.00 0.00 C ATOM 1043 O GLN A 68 -5.528 9.180 -0.510 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.176 10.444 -2.670 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.690 10.370 -2.988 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.374 10.818 -4.401 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.266 11.201 -5.158 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.098 10.771 -4.765 1.00 0.00 N ATOM 0 H GLN A 68 -2.578 8.384 -1.388 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.111 11.118 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.700 9.679 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.562 11.409 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.140 10.992 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.343 9.346 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.609 10.447 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.175 11.059 -5.704 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.695 11.266 -1.336 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.144 11.326 -1.191 1.00 0.00 C ATOM 1059 C ASP A 69 -7.839 10.659 -2.374 1.00 0.00 C ATOM 1060 O ASP A 69 -8.922 10.092 -2.231 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.606 12.779 -1.068 1.00 0.00 C ATOM 1062 CG ASP A 69 -9.049 12.891 -0.619 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -9.538 11.956 0.048 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.692 13.916 -0.935 1.00 0.00 O ATOM 0 H ASP A 69 -5.275 12.110 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.414 10.787 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.966 13.302 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.488 13.277 -2.030 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.209 10.731 -3.541 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.768 10.134 -4.749 1.00 0.00 C ATOM 1071 C CYS A 70 -7.458 8.641 -4.812 1.00 0.00 C ATOM 1072 O CYS A 70 -8.239 7.857 -5.352 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.215 10.833 -5.992 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.421 11.034 -7.325 1.00 0.00 S ATOM 0 H CYS A 70 -6.312 11.196 -3.677 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.850 10.262 -4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.839 11.815 -5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.365 10.263 -6.368 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.860 11.637 -8.331 1.00 0.00 H new ATOM 1080 N MET A 71 -6.315 8.255 -4.256 1.00 0.00 N ATOM 1081 CA MET A 71 -5.901 6.857 -4.249 1.00 0.00 C ATOM 1082 C MET A 71 -6.818 6.019 -3.361 1.00 0.00 C ATOM 1083 O MET A 71 -6.948 4.810 -3.554 1.00 0.00 O ATOM 1084 CB MET A 71 -4.454 6.733 -3.767 1.00 0.00 C ATOM 1085 CG MET A 71 -3.442 7.346 -4.721 1.00 0.00 C ATOM 1086 SD MET A 71 -3.540 6.649 -6.381 1.00 0.00 S ATOM 1087 CE MET A 71 -3.416 4.899 -6.022 1.00 0.00 C ATOM 0 H MET A 71 -5.658 8.891 -3.804 1.00 0.00 H new ATOM 0 HA MET A 71 -5.971 6.480 -5.270 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.361 7.214 -2.793 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.216 5.679 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.604 8.423 -4.773 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.438 7.193 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.159 4.358 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.642 4.735 -5.272 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.371 4.537 -5.642 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.451 6.667 -2.387 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.354 5.979 -1.470 1.00 0.00 C ATOM 1099 C TYR A 72 -9.459 5.251 -2.233 1.00 0.00 C ATOM 1100 O TYR A 72 -9.965 4.225 -1.780 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.968 6.976 -0.484 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.249 7.034 0.845 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.117 5.899 1.636 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.703 8.224 1.309 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.460 5.949 2.850 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -7.045 8.281 2.522 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.926 7.141 3.289 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.272 7.195 4.499 1.00 0.00 O ATOM 0 H TYR A 72 -7.355 7.667 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.775 5.240 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.963 7.969 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.011 6.709 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.535 4.963 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.794 9.119 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.365 5.058 3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.626 9.214 2.868 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.081 6.285 4.808 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.829 5.792 -3.389 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.875 5.194 -4.212 1.00 0.00 C ATOM 1120 C LYS A 73 -10.478 3.792 -4.665 1.00 0.00 C ATOM 1121 O LYS A 73 -11.302 2.879 -4.683 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.160 6.073 -5.430 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.398 7.534 -5.085 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.457 8.154 -5.981 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.429 9.672 -5.909 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.793 10.259 -6.015 1.00 0.00 N ATOM 0 H LYS A 73 -9.421 6.642 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.778 5.119 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.320 6.004 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.035 5.684 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.708 7.617 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.465 8.089 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.296 7.835 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.442 7.793 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.972 9.982 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.803 10.062 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.730 11.296 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.220 9.984 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.384 9.907 -5.235 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.210 3.630 -5.029 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.703 2.341 -5.484 1.00 0.00 C ATOM 1142 C ASP A 74 -8.746 1.307 -4.363 1.00 0.00 C ATOM 1143 O ASP A 74 -8.807 0.104 -4.618 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.272 2.487 -6.004 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.226 2.820 -7.483 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.512 1.923 -8.303 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.904 3.980 -7.819 1.00 0.00 O ATOM 0 H ASP A 74 -8.515 4.376 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.345 1.995 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.762 3.269 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.727 1.560 -5.826 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.713 1.781 -3.120 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.748 0.893 -1.963 1.00 0.00 C ATOM 1154 C VAL A 75 -10.006 0.031 -1.973 1.00 0.00 C ATOM 1155 O VAL A 75 -11.124 0.544 -1.919 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.689 1.687 -0.641 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.612 0.744 0.551 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.506 2.645 -0.647 1.00 0.00 C ATOM 0 H VAL A 75 -8.662 2.773 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.870 0.251 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.604 2.272 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.571 1.325 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.493 0.103 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.716 0.128 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.480 3.197 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.581 2.080 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.609 3.345 -1.476 1.00 0.00 H new ATOM 1168 N GLN A 76 -9.816 -1.283 -2.043 1.00 0.00 N ATOM 1169 CA GLN A 76 -10.934 -2.218 -2.061 1.00 0.00 C ATOM 1170 C GLN A 76 -11.485 -2.435 -0.655 1.00 0.00 C ATOM 1171 O GLN A 76 -10.796 -2.196 0.337 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.498 -3.557 -2.661 1.00 0.00 C ATOM 1173 CG GLN A 76 -9.734 -3.416 -3.968 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.485 -4.751 -4.642 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.374 -5.311 -5.284 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.271 -5.269 -4.500 1.00 0.00 N ATOM 0 H GLN A 76 -8.897 -1.724 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.722 -1.789 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.873 -4.083 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.380 -4.175 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.294 -2.770 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.779 -2.926 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.564 -4.771 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.045 -6.165 -4.932 1.00 0.00 H new ATOM 1185 N LYS A 77 -12.731 -2.890 -0.578 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.375 -3.140 0.706 1.00 0.00 C ATOM 1187 C LYS A 77 -13.284 -4.616 1.084 1.00 0.00 C ATOM 1188 O LYS A 77 -13.286 -4.965 2.264 1.00 0.00 O ATOM 1189 CB LYS A 77 -14.840 -2.701 0.659 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.072 -1.299 1.202 1.00 0.00 C ATOM 1191 CD LYS A 77 -15.807 -0.424 0.199 1.00 0.00 C ATOM 1192 CE LYS A 77 -14.847 0.475 -0.565 1.00 0.00 C ATOM 1193 NZ LYS A 77 -15.379 1.858 -0.714 1.00 0.00 N ATOM 0 H LYS A 77 -13.315 -3.093 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.853 -2.558 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.191 -2.745 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.441 -3.408 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.648 -1.357 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.114 -0.842 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.354 -1.054 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.544 0.188 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.890 0.509 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.659 0.050 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.654 2.464 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.225 1.841 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.630 2.236 0.222 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.204 -5.478 0.076 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.112 -6.916 0.305 1.00 0.00 C ATOM 1209 C ASP A 78 -11.658 -7.378 0.289 1.00 0.00 C ATOM 1210 O ASP A 78 -11.332 -8.416 -0.287 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.914 -7.675 -0.754 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.403 -7.410 -0.652 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -16.087 -8.145 0.089 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.884 -6.466 -1.313 1.00 0.00 O ATOM 0 H ASP A 78 -13.201 -5.206 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.530 -7.130 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.564 -7.388 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.730 -8.744 -0.648 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.787 -6.600 0.926 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.369 -6.930 0.985 1.00 0.00 C ATOM 1221 C TRP A 79 -9.106 -7.998 2.047 1.00 0.00 C ATOM 1222 O TRP A 79 -9.542 -7.864 3.190 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.546 -5.677 1.290 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.073 -5.867 1.088 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.101 -5.811 2.045 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.405 -6.142 -0.148 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.869 -6.035 1.480 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.029 -6.241 0.133 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.836 -6.314 -1.467 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.083 -6.505 -0.854 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.897 -6.576 -2.447 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.534 -6.670 -2.135 1.00 0.00 C ATOM 0 H TRP A 79 -11.040 -5.737 1.408 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.070 -7.325 0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.890 -4.862 0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.728 -5.375 2.321 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.275 -5.619 3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.980 -6.046 1.980 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.885 -6.243 -1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.032 -6.577 -0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.219 -6.710 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.825 -6.877 -2.923 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.386 -9.078 1.686 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.074 -10.162 2.622 1.00 0.00 C ATOM 1245 C PRO A 80 -7.084 -9.733 3.701 1.00 0.00 C ATOM 1246 O PRO A 80 -7.012 -10.343 4.768 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.456 -11.239 1.729 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.913 -10.502 0.557 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.823 -9.324 0.346 1.00 0.00 C ATOM 0 HA PRO A 80 -8.959 -10.495 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.669 -11.782 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.201 -11.973 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.890 -10.175 0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.889 -11.139 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.277 -8.457 -0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.603 -9.545 -0.382 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.323 -8.679 3.418 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.349 -8.189 4.376 1.00 0.00 C ATOM 1259 C GLY A 81 -5.971 -7.851 5.717 1.00 0.00 C ATOM 1260 O GLY A 81 -5.471 -8.268 6.763 1.00 0.00 O ATOM 0 H GLY A 81 -6.364 -8.156 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.574 -8.942 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.861 -7.302 3.972 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.062 -7.094 5.687 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.753 -6.700 6.909 1.00 0.00 C ATOM 1266 C TYR A 82 -8.431 -7.901 7.561 1.00 0.00 C ATOM 1267 O TYR A 82 -8.408 -9.008 7.024 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.789 -5.616 6.607 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.240 -4.463 5.800 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.047 -3.848 6.154 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.916 -3.989 4.682 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.541 -2.793 5.419 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.417 -2.934 3.941 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.230 -2.340 4.313 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.730 -1.289 3.578 1.00 0.00 O ATOM 0 H TYR A 82 -7.487 -6.741 4.830 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.013 -6.302 7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.623 -6.063 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.187 -5.234 7.547 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.505 -4.200 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.846 -4.452 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.611 -2.326 5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.954 -2.577 3.075 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.768 -1.203 3.743 1.00 0.00 H new ATOM 1285 N SER A 83 -9.035 -7.673 8.723 1.00 0.00 N ATOM 1286 CA SER A 83 -9.721 -8.735 9.449 1.00 0.00 C ATOM 1287 C SER A 83 -10.976 -8.204 10.134 1.00 0.00 C ATOM 1288 O SER A 83 -12.093 -8.604 9.804 1.00 0.00 O ATOM 1289 CB SER A 83 -8.784 -9.362 10.483 1.00 0.00 C ATOM 1290 OG SER A 83 -8.296 -10.616 10.038 1.00 0.00 O ATOM 0 H SER A 83 -9.063 -6.762 9.182 1.00 0.00 H new ATOM 0 HA SER A 83 -10.019 -9.499 8.731 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.947 -8.690 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.313 -9.489 11.427 1.00 0.00 H new ATOM 0 HG SER A 83 -7.698 -10.994 10.717 1.00 0.00 H new ATOM 1296 N GLU A 84 -10.784 -7.301 11.090 1.00 0.00 N ATOM 1297 CA GLU A 84 -11.901 -6.715 11.823 1.00 0.00 C ATOM 1298 C GLU A 84 -11.581 -5.287 12.255 1.00 0.00 C ATOM 1299 O GLU A 84 -12.241 -4.338 11.835 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.239 -7.568 13.046 1.00 0.00 C ATOM 1301 CG GLU A 84 -12.889 -8.898 12.701 1.00 0.00 C ATOM 1302 CD GLU A 84 -11.917 -10.059 12.775 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -11.139 -10.119 13.750 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -11.934 -10.907 11.859 1.00 0.00 O ATOM 0 H GLU A 84 -9.866 -6.959 11.375 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.764 -6.688 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.326 -7.755 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.907 -7.005 13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.719 -9.080 13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.308 -8.843 11.696 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.562 -5.144 13.097 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.172 -3.830 13.572 1.00 0.00 C ATOM 1313 C GLY A 85 -9.759 -2.903 12.445 1.00 0.00 C ATOM 1314 O GLY A 85 -9.890 -1.684 12.556 1.00 0.00 O ATOM 0 H GLY A 85 -10.000 -5.915 13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.003 -3.384 14.119 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.345 -3.932 14.275 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.258 -3.482 11.360 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.823 -2.700 10.208 1.00 0.00 C ATOM 1320 C ASP A 86 -9.993 -2.413 9.272 1.00 0.00 C ATOM 1321 O ASP A 86 -10.050 -1.359 8.638 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.719 -3.440 9.451 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.390 -3.394 10.179 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.089 -2.354 10.801 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.650 -4.399 10.127 1.00 0.00 O ATOM 0 H ASP A 86 -9.143 -4.490 11.253 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.431 -1.750 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.015 -4.479 9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.603 -3.000 8.460 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.924 -3.358 9.189 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.092 -3.207 8.329 1.00 0.00 C ATOM 1332 C GLN A 87 -12.940 -2.017 8.768 1.00 0.00 C ATOM 1333 O GLN A 87 -13.233 -1.124 7.974 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.934 -4.483 8.350 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.125 -5.750 8.122 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.544 -6.494 6.868 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -12.949 -5.884 5.878 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.447 -7.817 6.904 1.00 0.00 N ATOM 0 H GLN A 87 -10.892 -4.236 9.707 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.743 -3.027 7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.444 -4.556 9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.706 -4.412 7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.068 -5.494 8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.237 -6.408 8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.106 -8.281 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.713 -8.370 6.090 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.333 -2.014 10.037 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.149 -0.934 10.582 1.00 0.00 C ATOM 1349 C GLN A 88 -13.421 0.402 10.484 1.00 0.00 C ATOM 1350 O GLN A 88 -14.021 1.424 10.145 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.510 -1.225 12.039 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.429 -2.424 12.211 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.873 -2.024 12.442 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.437 -2.281 13.506 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.479 -1.391 11.445 1.00 0.00 N ATOM 0 H GLN A 88 -13.100 -2.747 10.708 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.064 -0.872 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.594 -1.396 12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.990 -0.345 12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.368 -3.054 11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.083 -3.024 13.052 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.973 -1.199 10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.451 -1.097 11.543 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.127 0.389 10.782 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.317 1.601 10.729 1.00 0.00 C ATOM 1366 C LEU A 89 -11.181 2.102 9.294 1.00 0.00 C ATOM 1367 O LEU A 89 -11.149 3.307 9.049 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.931 1.339 11.322 1.00 0.00 C ATOM 1369 CG LEU A 89 -9.145 2.594 11.710 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.108 2.759 13.222 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.733 2.537 11.145 1.00 0.00 C ATOM 0 H LEU A 89 -11.616 -0.448 11.063 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.818 2.369 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.043 0.711 12.206 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.345 0.770 10.600 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.652 3.459 11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.545 3.657 13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.125 2.849 13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.628 1.890 13.671 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.190 3.438 11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.218 1.662 11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.778 2.471 10.058 1.00 0.00 H new ATOM 1383 N LEU A 90 -11.100 1.170 8.352 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.966 1.517 6.942 1.00 0.00 C ATOM 1385 C LEU A 90 -12.212 2.238 6.434 1.00 0.00 C ATOM 1386 O LEU A 90 -12.135 3.065 5.525 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.716 0.259 6.107 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.599 0.494 4.599 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.146 0.717 4.206 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.188 -0.677 3.829 1.00 0.00 C ATOM 0 H LEU A 90 -11.125 0.168 8.539 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.114 2.189 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.799 -0.215 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.528 -0.445 6.287 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.165 1.390 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.081 0.882 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.757 1.589 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.558 -0.161 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.096 -0.492 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.650 -1.589 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.241 -0.790 4.088 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.358 1.917 7.025 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.620 2.532 6.630 1.00 0.00 C ATOM 1404 C LYS A 91 -14.626 4.025 6.948 1.00 0.00 C ATOM 1405 O LYS A 91 -14.886 4.853 6.075 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.790 1.844 7.337 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.742 0.326 7.253 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.073 -0.251 6.797 1.00 0.00 C ATOM 1409 CE LYS A 91 -16.946 -1.719 6.427 1.00 0.00 C ATOM 1410 NZ LYS A 91 -16.173 -1.911 5.170 1.00 0.00 N ATOM 0 H LYS A 91 -13.439 1.235 7.779 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.731 2.410 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.796 2.142 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.725 2.195 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.957 0.024 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.481 -0.085 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.811 -0.137 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.439 0.311 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.457 -2.257 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.940 -2.151 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.334 -2.872 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.485 -1.217 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.160 -1.778 5.362 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.341 4.359 8.202 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.316 5.752 8.634 1.00 0.00 C ATOM 1426 C ARG A 92 -13.291 6.555 7.838 1.00 0.00 C ATOM 1427 O ARG A 92 -13.504 7.731 7.543 1.00 0.00 O ATOM 1428 CB ARG A 92 -14.002 5.839 10.128 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.715 5.133 10.521 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.149 5.688 11.820 1.00 0.00 C ATOM 1431 NE ARG A 92 -11.043 6.612 11.583 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.606 7.491 12.483 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.179 7.567 13.678 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -9.594 8.295 12.187 1.00 0.00 N ATOM 0 H ARG A 92 -14.124 3.685 8.936 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.302 6.179 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.934 6.888 10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.830 5.407 10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.904 4.065 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.979 5.246 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.938 6.200 12.370 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.806 4.865 12.447 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.578 6.582 10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.958 6.950 13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.841 8.242 14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.150 8.240 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.259 8.968 12.876 1.00 0.00 H new ATOM 1448 N VAL A 93 -12.179 5.914 7.496 1.00 0.00 N ATOM 1449 CA VAL A 93 -11.121 6.570 6.735 1.00 0.00 C ATOM 1450 C VAL A 93 -11.591 6.915 5.326 1.00 0.00 C ATOM 1451 O VAL A 93 -11.173 7.920 4.751 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.862 5.686 6.645 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.724 6.441 5.976 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.449 5.199 8.025 1.00 0.00 C ATOM 0 H VAL A 93 -11.986 4.941 7.733 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.872 7.489 7.266 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.098 4.815 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.844 5.800 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.023 6.732 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.488 7.333 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.558 4.577 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.233 6.056 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.259 4.615 8.462 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.459 6.074 4.775 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.984 6.290 3.432 1.00 0.00 C ATOM 1466 C LEU A 94 -14.100 7.331 3.439 1.00 0.00 C ATOM 1467 O LEU A 94 -14.322 8.023 2.445 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.504 4.974 2.848 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.428 4.057 2.263 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.989 2.664 2.018 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.873 4.644 0.974 1.00 0.00 C ATOM 0 H LEU A 94 -12.814 5.237 5.237 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.171 6.663 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.036 4.432 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -14.230 5.202 2.067 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.614 3.977 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.209 2.026 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.339 2.242 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.821 2.725 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.109 3.979 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.678 4.754 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.434 5.620 1.178 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.799 7.436 4.564 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.891 8.393 4.698 1.00 0.00 C ATOM 1485 C VAL A 95 -15.374 9.769 5.105 1.00 0.00 C ATOM 1486 O VAL A 95 -15.919 10.794 4.696 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.930 7.920 5.733 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -18.144 8.835 5.730 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.337 6.478 5.463 1.00 0.00 C ATOM 0 H VAL A 95 -14.629 6.871 5.396 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.368 8.464 3.721 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.475 7.965 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.866 8.484 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.835 9.850 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.603 8.828 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.071 6.162 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.772 6.403 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.459 5.835 5.525 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.322 9.784 5.916 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.733 11.037 6.380 1.00 0.00 C ATOM 1501 C ARG A 96 -12.937 11.710 5.267 1.00 0.00 C ATOM 1502 O ARG A 96 -12.909 12.936 5.165 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.832 10.783 7.590 1.00 0.00 C ATOM 1504 CG ARG A 96 -13.502 11.085 8.921 1.00 0.00 C ATOM 1505 CD ARG A 96 -14.713 10.194 9.150 1.00 0.00 C ATOM 1506 NE ARG A 96 -15.423 10.541 10.379 1.00 0.00 N ATOM 1507 CZ ARG A 96 -16.476 9.871 10.842 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -16.944 8.819 10.182 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -17.062 10.254 11.968 1.00 0.00 N ATOM 0 H ARG A 96 -13.859 8.945 6.266 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.543 11.704 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.512 9.741 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.934 11.393 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.786 10.943 9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.808 12.131 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.392 10.281 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.393 9.153 9.197 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.092 11.344 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -16.497 8.520 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.751 8.309 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.706 11.062 12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.869 9.741 12.323 1.00 0.00 H new ATOM 1523 N LYS A 97 -12.289 10.900 4.436 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.490 11.419 3.332 1.00 0.00 C ATOM 1525 C LYS A 97 -12.372 11.766 2.137 1.00 0.00 C ATOM 1526 O LYS A 97 -12.477 12.929 1.748 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.430 10.396 2.919 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.508 9.984 4.054 1.00 0.00 C ATOM 1529 CD LYS A 97 -8.415 11.014 4.285 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.375 10.512 5.274 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.996 10.914 4.882 1.00 0.00 N ATOM 0 H LYS A 97 -12.302 9.882 4.506 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.995 12.329 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.927 9.509 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.832 10.812 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.088 9.857 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.057 9.018 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.932 11.252 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.857 11.938 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.599 10.904 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.431 9.425 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.407 11.010 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.587 10.189 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.029 11.824 4.379 1.00 0.00 H new ATOM 1545 N LEU A 98 -13.005 10.750 1.560 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.878 10.948 0.409 1.00 0.00 C ATOM 1547 C LEU A 98 -15.226 11.515 0.841 1.00 0.00 C ATOM 1548 O LEU A 98 -16.087 10.788 1.337 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.082 9.628 -0.337 1.00 0.00 C ATOM 1550 CG LEU A 98 -12.798 8.853 -0.644 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.117 7.568 -1.390 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -11.837 9.715 -1.449 1.00 0.00 C ATOM 0 H LEU A 98 -12.930 9.781 1.871 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.400 11.664 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.740 8.992 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.597 9.834 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.318 8.591 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.193 7.030 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.769 6.944 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.619 7.807 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.929 9.149 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.308 10.006 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.584 10.608 -0.878 1.00 0.00 H new ATOM 1564 N SER A 99 -15.403 12.819 0.647 1.00 0.00 N ATOM 1565 CA SER A 99 -16.648 13.484 1.017 1.00 0.00 C ATOM 1566 C SER A 99 -17.013 14.558 -0.001 1.00 0.00 C ATOM 1567 O SER A 99 -18.154 14.636 -0.456 1.00 0.00 O ATOM 1568 CB SER A 99 -16.524 14.104 2.409 1.00 0.00 C ATOM 1569 OG SER A 99 -15.817 13.248 3.289 1.00 0.00 O ATOM 0 H SER A 99 -14.701 13.435 0.236 1.00 0.00 H new ATOM 0 HA SER A 99 -17.441 12.737 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 99 -16.010 15.063 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.517 14.304 2.811 1.00 0.00 H new ATOM 0 HG SER A 99 -16.372 12.469 3.504 1.00 0.00 H new ATOM 1575 N GLY A 100 -16.036 15.387 -0.356 1.00 0.00 N ATOM 1576 CA GLY A 100 -16.274 16.448 -1.317 1.00 0.00 C ATOM 1577 C GLY A 100 -15.198 16.514 -2.388 1.00 0.00 C ATOM 1578 O GLY A 100 -14.152 17.126 -2.178 1.00 0.00 O ATOM 0 H GLY A 100 -15.083 15.343 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.244 16.295 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -16.321 17.403 -0.794 1.00 0.00 H new ATOM 1582 N PRO A 101 -15.430 15.888 -3.556 1.00 0.00 N ATOM 1583 CA PRO A 101 -14.460 15.889 -4.656 1.00 0.00 C ATOM 1584 C PRO A 101 -13.967 17.292 -4.994 1.00 0.00 C ATOM 1585 O PRO A 101 -14.670 18.068 -5.641 1.00 0.00 O ATOM 1586 CB PRO A 101 -15.251 15.304 -5.826 1.00 0.00 C ATOM 1587 CG PRO A 101 -16.294 14.453 -5.189 1.00 0.00 C ATOM 1588 CD PRO A 101 -16.651 15.133 -3.895 1.00 0.00 C ATOM 0 HA PRO A 101 -13.561 15.325 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.698 16.090 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.609 14.718 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -17.168 14.358 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.919 13.445 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.511 15.792 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.905 14.411 -3.119 1.00 0.00 H new ATOM 1596 N SER A 102 -12.755 17.611 -4.551 1.00 0.00 N ATOM 1597 CA SER A 102 -12.168 18.921 -4.807 1.00 0.00 C ATOM 1598 C SER A 102 -13.017 20.028 -4.189 1.00 0.00 C ATOM 1599 O SER A 102 -13.943 20.539 -4.818 1.00 0.00 O ATOM 1600 CB SER A 102 -12.023 19.154 -6.312 1.00 0.00 C ATOM 1601 OG SER A 102 -11.746 17.943 -6.993 1.00 0.00 O ATOM 0 H SER A 102 -12.161 16.980 -4.013 1.00 0.00 H new ATOM 0 HA SER A 102 -11.180 18.945 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.940 19.594 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.222 19.870 -6.496 1.00 0.00 H new ATOM 0 HG SER A 102 -11.660 18.120 -7.953 1.00 0.00 H new ATOM 1607 N SER A 103 -12.694 20.392 -2.952 1.00 0.00 N ATOM 1608 CA SER A 103 -13.427 21.439 -2.248 1.00 0.00 C ATOM 1609 C SER A 103 -13.298 22.775 -2.973 1.00 0.00 C ATOM 1610 O SER A 103 -14.221 23.590 -2.958 1.00 0.00 O ATOM 1611 CB SER A 103 -12.914 21.572 -0.813 1.00 0.00 C ATOM 1612 OG SER A 103 -13.732 22.448 -0.058 1.00 0.00 O ATOM 0 H SER A 103 -11.931 19.978 -2.417 1.00 0.00 H new ATOM 0 HA SER A 103 -14.480 21.159 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.892 20.591 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.890 21.944 -0.823 1.00 0.00 H new ATOM 0 HG SER A 103 -13.384 22.515 0.856 1.00 0.00 H new ATOM 1618 N GLY A 104 -12.150 22.992 -3.604 1.00 0.00 N ATOM 1619 CA GLY A 104 -11.923 24.230 -4.325 1.00 0.00 C ATOM 1620 C GLY A 104 -11.965 25.444 -3.418 1.00 0.00 C ATOM 1621 O GLY A 104 -12.097 25.264 -2.190 1.00 0.00 O ATOM 1622 OXT GLY A 104 -11.867 26.577 -3.937 1.00 0.00 O ATOM 0 H GLY A 104 -11.372 22.333 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.954 24.185 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.677 24.336 -5.105 1.00 0.00 H new TER 1626 GLY A 104