USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 41 ASN : amide:sc= -1.88 K(o=-9.5,f=-4.4!) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.59! K(o=-9.5!,f=-2) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0727 USER MOD Single : A 9 SER OG : rot 170:sc= -0.714 USER MOD Single : A -1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 10 SER OG : rot 90:sc= 0.198 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0.00085) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.9!) USER MOD Single : A 23 ASN : amide:sc= -2.75! C(o=-2.8!,f=-1.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -78:sc= 0.0452 USER MOD Single : A 32 GLN : amide:sc=-0.000123 K(o=-0.00012,f=-0.72) USER MOD Single : A 33 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.048) USER MOD Single : A 35 SER OG : rot 139:sc= 0.172! USER MOD Single : A 36 SER OG : rot 85:sc= 1.29 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.925 K(o=0.93,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 14.728 11.211 23.022 1.00 0.00 N ATOM 2 CA GLY A -1 13.930 10.396 22.064 1.00 0.00 C ATOM 3 C GLY A -1 14.581 10.306 20.698 1.00 0.00 C ATOM 4 O GLY A -1 13.904 10.387 19.673 1.00 0.00 O ATOM 0 H1 GLY A -1 14.209 11.299 23.919 1.00 0.00 H new ATOM 0 H2 GLY A -1 15.643 10.747 23.195 1.00 0.00 H new ATOM 0 H3 GLY A -1 14.890 12.157 22.622 1.00 0.00 H new ATOM 0 HA2 GLY A -1 13.798 9.392 22.467 1.00 0.00 H new ATOM 0 HA3 GLY A -1 12.936 10.831 21.962 1.00 0.00 H new ATOM 10 N ASP A 0 15.900 10.138 20.683 1.00 0.00 N ATOM 11 CA ASP A 0 16.643 10.037 19.431 1.00 0.00 C ATOM 12 C ASP A 0 18.075 9.574 19.684 1.00 0.00 C ATOM 13 O ASP A 0 18.897 10.326 20.208 1.00 0.00 O ATOM 14 CB ASP A 0 16.652 11.386 18.709 1.00 0.00 C ATOM 15 CG ASP A 0 17.233 12.496 19.561 1.00 0.00 C ATOM 16 OD1 ASP A 0 16.588 12.877 20.561 1.00 0.00 O ATOM 17 OD2 ASP A 0 18.335 12.983 19.231 1.00 0.00 O ATOM 0 H ASP A 0 16.476 10.069 21.522 1.00 0.00 H new ATOM 0 HA ASP A 0 16.147 9.298 18.802 1.00 0.00 H new ATOM 0 HB2 ASP A 0 17.230 11.298 17.789 1.00 0.00 H new ATOM 0 HB3 ASP A 0 15.634 11.648 18.422 1.00 0.00 H new ATOM 22 N GLU A 1 18.365 8.333 19.309 1.00 0.00 N ATOM 23 CA GLU A 1 19.697 7.768 19.494 1.00 0.00 C ATOM 24 C GLU A 1 20.047 7.681 20.976 1.00 0.00 C ATOM 25 O GLU A 1 21.138 8.071 21.393 1.00 0.00 O ATOM 26 CB GLU A 1 20.740 8.609 18.757 1.00 0.00 C ATOM 27 CG GLU A 1 21.919 7.800 18.240 1.00 0.00 C ATOM 28 CD GLU A 1 22.904 8.643 17.454 1.00 0.00 C ATOM 29 OE1 GLU A 1 22.461 9.587 16.767 1.00 0.00 O ATOM 30 OE2 GLU A 1 24.118 8.359 17.524 1.00 0.00 O ATOM 0 H GLU A 1 17.695 7.698 18.875 1.00 0.00 H new ATOM 0 HA GLU A 1 19.699 6.760 19.079 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.261 9.114 17.918 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.109 9.385 19.428 1.00 0.00 H new ATOM 0 HG2 GLU A 1 22.434 7.336 19.081 1.00 0.00 H new ATOM 0 HG3 GLU A 1 21.551 6.992 17.607 1.00 0.00 H new ATOM 37 N LYS A 2 19.114 7.165 21.767 1.00 0.00 N ATOM 38 CA LYS A 2 19.319 7.024 23.204 1.00 0.00 C ATOM 39 C LYS A 2 18.204 6.194 23.834 1.00 0.00 C ATOM 40 O LYS A 2 17.630 6.577 24.853 1.00 0.00 O ATOM 41 CB LYS A 2 19.387 8.402 23.868 1.00 0.00 C ATOM 42 CG LYS A 2 20.379 8.474 25.017 1.00 0.00 C ATOM 43 CD LYS A 2 20.642 9.912 25.435 1.00 0.00 C ATOM 44 CE LYS A 2 21.431 10.666 24.376 1.00 0.00 C ATOM 45 NZ LYS A 2 22.468 11.549 24.979 1.00 0.00 N ATOM 0 H LYS A 2 18.206 6.837 21.437 1.00 0.00 H new ATOM 0 HA LYS A 2 20.265 6.506 23.363 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.658 9.145 23.118 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.396 8.668 24.237 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.994 7.911 25.867 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.316 8.003 24.720 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.694 10.419 25.613 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.192 9.923 26.376 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.908 9.954 23.703 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.749 11.266 23.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.983 12.045 24.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.011 12.246 25.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.134 10.974 25.533 1.00 0.00 H new ATOM 59 N ARG A 3 17.904 5.054 23.219 1.00 0.00 N ATOM 60 CA ARG A 3 16.859 4.170 23.718 1.00 0.00 C ATOM 61 C ARG A 3 17.341 2.721 23.755 1.00 0.00 C ATOM 62 O ARG A 3 18.137 2.303 22.914 1.00 0.00 O ATOM 63 CB ARG A 3 15.609 4.280 22.843 1.00 0.00 C ATOM 64 CG ARG A 3 14.966 5.657 22.871 1.00 0.00 C ATOM 65 CD ARG A 3 14.031 5.812 24.058 1.00 0.00 C ATOM 66 NE ARG A 3 12.800 6.513 23.698 1.00 0.00 N ATOM 67 CZ ARG A 3 11.986 7.086 24.582 1.00 0.00 C ATOM 68 NH1 ARG A 3 12.268 7.044 25.879 1.00 0.00 N ATOM 69 NH2 ARG A 3 10.888 7.703 24.170 1.00 0.00 N ATOM 0 H ARG A 3 18.370 4.722 22.375 1.00 0.00 H new ATOM 0 HA ARG A 3 16.613 4.478 24.734 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.872 4.032 21.815 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.879 3.541 23.172 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.742 6.421 22.916 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.412 5.820 21.947 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.784 4.828 24.456 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.540 6.358 24.852 1.00 0.00 H new ATOM 0 HE ARG A 3 12.550 6.566 22.711 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.112 6.571 26.202 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.641 7.485 26.552 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.666 7.739 23.175 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.265 8.142 24.848 1.00 0.00 H new ATOM 83 N PRO A 4 16.863 1.935 24.737 1.00 0.00 N ATOM 84 CA PRO A 4 17.246 0.528 24.883 1.00 0.00 C ATOM 85 C PRO A 4 16.999 -0.277 23.615 1.00 0.00 C ATOM 86 O PRO A 4 16.845 0.277 22.528 1.00 0.00 O ATOM 87 CB PRO A 4 16.347 0.021 26.014 1.00 0.00 C ATOM 88 CG PRO A 4 15.969 1.239 26.781 1.00 0.00 C ATOM 89 CD PRO A 4 15.915 2.360 25.782 1.00 0.00 C ATOM 0 HA PRO A 4 18.311 0.422 25.088 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.466 -0.487 25.621 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.873 -0.695 26.645 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.005 1.107 27.271 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.698 1.449 27.563 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.910 2.493 25.382 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.209 3.310 26.228 1.00 0.00 H new ATOM 97 N ARG A 5 16.953 -1.592 23.770 1.00 0.00 N ATOM 98 CA ARG A 5 16.719 -2.494 22.649 1.00 0.00 C ATOM 99 C ARG A 5 15.571 -3.445 22.959 1.00 0.00 C ATOM 100 O ARG A 5 15.647 -4.643 22.692 1.00 0.00 O ATOM 101 CB ARG A 5 17.987 -3.288 22.326 1.00 0.00 C ATOM 102 CG ARG A 5 18.463 -4.166 23.472 1.00 0.00 C ATOM 103 CD ARG A 5 19.222 -5.381 22.964 1.00 0.00 C ATOM 104 NE ARG A 5 20.433 -5.005 22.237 1.00 0.00 N ATOM 105 CZ ARG A 5 21.561 -4.616 22.826 1.00 0.00 C ATOM 106 NH1 ARG A 5 21.638 -4.550 24.150 1.00 0.00 N ATOM 107 NH2 ARG A 5 22.616 -4.291 22.090 1.00 0.00 N ATOM 0 H ARG A 5 17.075 -2.062 24.667 1.00 0.00 H new ATOM 0 HA ARG A 5 16.451 -1.895 21.779 1.00 0.00 H new ATOM 0 HB2 ARG A 5 17.802 -3.913 21.453 1.00 0.00 H new ATOM 0 HB3 ARG A 5 18.782 -2.593 22.057 1.00 0.00 H new ATOM 0 HG2 ARG A 5 19.105 -3.585 24.134 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.607 -4.491 24.063 1.00 0.00 H new ATOM 0 HD2 ARG A 5 19.488 -6.020 23.806 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.574 -5.966 22.311 1.00 0.00 H new ATOM 0 HE ARG A 5 20.412 -5.043 21.218 1.00 0.00 H new ATOM 0 HH11 ARG A 5 20.830 -4.798 24.721 1.00 0.00 H new ATOM 0 HH12 ARG A 5 22.505 -4.251 24.596 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.562 -4.339 21.073 1.00 0.00 H new ATOM 0 HH22 ARG A 5 23.481 -3.993 22.542 1.00 0.00 H new ATOM 121 N THR A 6 14.509 -2.892 23.528 1.00 0.00 N ATOM 122 CA THR A 6 13.332 -3.675 23.886 1.00 0.00 C ATOM 123 C THR A 6 12.152 -3.334 22.979 1.00 0.00 C ATOM 124 O THR A 6 11.819 -4.091 22.068 1.00 0.00 O ATOM 125 CB THR A 6 12.960 -3.443 25.358 1.00 0.00 C ATOM 126 OG1 THR A 6 11.581 -3.694 25.580 1.00 0.00 O ATOM 127 CG2 THR A 6 13.264 -2.041 25.852 1.00 0.00 C ATOM 0 H THR A 6 14.437 -1.900 23.753 1.00 0.00 H new ATOM 0 HA THR A 6 13.573 -4.729 23.748 1.00 0.00 H new ATOM 0 HB THR A 6 13.581 -4.143 25.917 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.369 -3.541 26.524 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.974 -1.953 26.899 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.331 -1.844 25.753 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.705 -1.317 25.259 1.00 0.00 H new ATOM 135 N ALA A 7 11.527 -2.190 23.233 1.00 0.00 N ATOM 136 CA ALA A 7 10.388 -1.749 22.439 1.00 0.00 C ATOM 137 C ALA A 7 10.837 -1.250 21.070 1.00 0.00 C ATOM 138 O ALA A 7 10.076 -1.298 20.103 1.00 0.00 O ATOM 139 CB ALA A 7 9.622 -0.659 23.174 1.00 0.00 C ATOM 0 H ALA A 7 11.791 -1.551 23.983 1.00 0.00 H new ATOM 0 HA ALA A 7 9.728 -2.603 22.289 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.774 -0.339 22.569 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.262 -1.047 24.127 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.281 0.191 23.353 1.00 0.00 H new ATOM 145 N PHE A 8 12.078 -0.777 20.991 1.00 0.00 N ATOM 146 CA PHE A 8 12.628 -0.274 19.739 1.00 0.00 C ATOM 147 C PHE A 8 13.974 0.409 19.963 1.00 0.00 C ATOM 148 O PHE A 8 14.056 1.451 20.612 1.00 0.00 O ATOM 149 CB PHE A 8 11.652 0.688 19.051 1.00 0.00 C ATOM 150 CG PHE A 8 10.886 1.604 19.972 1.00 0.00 C ATOM 151 CD1 PHE A 8 11.318 1.869 21.265 1.00 0.00 C ATOM 152 CD2 PHE A 8 9.723 2.209 19.525 1.00 0.00 C ATOM 153 CE1 PHE A 8 10.603 2.721 22.088 1.00 0.00 C ATOM 154 CE2 PHE A 8 9.006 3.060 20.342 1.00 0.00 C ATOM 155 CZ PHE A 8 9.446 3.317 21.625 1.00 0.00 C ATOM 0 H PHE A 8 12.721 -0.732 21.781 1.00 0.00 H new ATOM 0 HA PHE A 8 12.783 -1.131 19.084 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.210 1.299 18.342 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.937 0.102 18.473 1.00 0.00 H new ATOM 0 HD1 PHE A 8 12.222 1.405 21.632 1.00 0.00 H new ATOM 0 HD2 PHE A 8 9.372 2.012 18.523 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.949 2.920 23.091 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.102 3.524 19.978 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.887 3.983 22.266 1.00 0.00 H new ATOM 165 N SER A 9 15.030 -0.195 19.428 1.00 0.00 N ATOM 166 CA SER A 9 16.376 0.349 19.583 1.00 0.00 C ATOM 167 C SER A 9 16.791 1.216 18.398 1.00 0.00 C ATOM 168 O SER A 9 17.945 1.188 17.972 1.00 0.00 O ATOM 169 CB SER A 9 17.389 -0.783 19.790 1.00 0.00 C ATOM 170 OG SER A 9 16.789 -2.051 19.586 1.00 0.00 O ATOM 0 H SER A 9 14.981 -1.057 18.886 1.00 0.00 H new ATOM 0 HA SER A 9 16.363 0.989 20.465 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.224 -0.658 19.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.798 -0.729 20.799 1.00 0.00 H new ATOM 0 HG SER A 9 17.484 -2.742 19.564 1.00 0.00 H new ATOM 176 N SER A 10 15.838 1.988 17.883 1.00 0.00 N ATOM 177 CA SER A 10 16.064 2.894 16.748 1.00 0.00 C ATOM 178 C SER A 10 15.716 2.215 15.439 1.00 0.00 C ATOM 179 O SER A 10 15.281 2.858 14.483 1.00 0.00 O ATOM 180 CB SER A 10 17.516 3.370 16.700 1.00 0.00 C ATOM 181 OG SER A 10 17.996 3.683 17.997 1.00 0.00 O ATOM 0 H SER A 10 14.882 2.007 18.239 1.00 0.00 H new ATOM 0 HA SER A 10 15.414 3.758 16.889 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.141 2.596 16.255 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.593 4.248 16.059 1.00 0.00 H new ATOM 0 HG SER A 10 18.399 2.885 18.398 1.00 0.00 H new ATOM 187 N GLU A 11 15.905 0.911 15.409 1.00 0.00 N ATOM 188 CA GLU A 11 15.604 0.127 14.217 1.00 0.00 C ATOM 189 C GLU A 11 14.112 0.182 13.915 1.00 0.00 C ATOM 190 O GLU A 11 13.683 -0.077 12.791 1.00 0.00 O ATOM 191 CB GLU A 11 16.056 -1.323 14.398 1.00 0.00 C ATOM 192 CG GLU A 11 16.722 -1.907 13.164 1.00 0.00 C ATOM 193 CD GLU A 11 18.207 -2.138 13.356 1.00 0.00 C ATOM 194 OE1 GLU A 11 18.578 -2.891 14.281 1.00 0.00 O ATOM 195 OE2 GLU A 11 19.002 -1.565 12.580 1.00 0.00 O ATOM 0 H GLU A 11 16.265 0.368 16.193 1.00 0.00 H new ATOM 0 HA GLU A 11 16.149 0.554 13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.751 -1.377 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.193 -1.935 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.241 -2.852 12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.569 -1.234 12.320 1.00 0.00 H new ATOM 202 N GLN A 12 13.330 0.534 14.930 1.00 0.00 N ATOM 203 CA GLN A 12 11.890 0.639 14.788 1.00 0.00 C ATOM 204 C GLN A 12 11.495 2.078 14.478 1.00 0.00 C ATOM 205 O GLN A 12 10.679 2.330 13.591 1.00 0.00 O ATOM 206 CB GLN A 12 11.210 0.159 16.067 1.00 0.00 C ATOM 207 CG GLN A 12 10.291 -1.033 15.857 1.00 0.00 C ATOM 208 CD GLN A 12 8.851 -0.624 15.616 1.00 0.00 C ATOM 209 OE1 GLN A 12 8.552 0.115 14.679 1.00 0.00 O ATOM 210 NE2 GLN A 12 7.950 -1.103 16.466 1.00 0.00 N ATOM 0 H GLN A 12 13.676 0.752 15.864 1.00 0.00 H new ATOM 0 HA GLN A 12 11.565 0.009 13.960 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.974 -0.106 16.797 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.634 0.981 16.493 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.646 -1.616 15.007 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.339 -1.682 16.731 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.243 -1.713 17.229 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.965 -0.861 16.356 1.00 0.00 H new ATOM 219 N LEU A 13 12.096 3.024 15.200 1.00 0.00 N ATOM 220 CA LEU A 13 11.818 4.439 14.977 1.00 0.00 C ATOM 221 C LEU A 13 12.199 4.810 13.553 1.00 0.00 C ATOM 222 O LEU A 13 11.491 5.558 12.878 1.00 0.00 O ATOM 223 CB LEU A 13 12.600 5.318 15.959 1.00 0.00 C ATOM 224 CG LEU A 13 12.322 5.091 17.454 1.00 0.00 C ATOM 225 CD1 LEU A 13 11.221 4.067 17.672 1.00 0.00 C ATOM 226 CD2 LEU A 13 13.589 4.650 18.162 1.00 0.00 C ATOM 0 H LEU A 13 12.774 2.836 15.939 1.00 0.00 H new ATOM 0 HA LEU A 13 10.753 4.609 15.137 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.664 5.163 15.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.387 6.362 15.727 1.00 0.00 H new ATOM 0 HG LEU A 13 11.984 6.038 17.874 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.054 3.934 18.741 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.302 4.416 17.202 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.516 3.115 17.230 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.379 4.493 19.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.947 3.720 17.721 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.353 5.420 18.055 1.00 0.00 H new ATOM 238 N ALA A 14 13.325 4.262 13.101 1.00 0.00 N ATOM 239 CA ALA A 14 13.813 4.508 11.752 1.00 0.00 C ATOM 240 C ALA A 14 12.768 4.103 10.719 1.00 0.00 C ATOM 241 O ALA A 14 12.791 4.569 9.580 1.00 0.00 O ATOM 242 CB ALA A 14 15.112 3.750 11.518 1.00 0.00 C ATOM 0 H ALA A 14 13.917 3.642 13.655 1.00 0.00 H new ATOM 0 HA ALA A 14 14.005 5.575 11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.468 3.942 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.862 4.083 12.235 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.938 2.682 11.645 1.00 0.00 H new ATOM 248 N ARG A 15 11.849 3.232 11.129 1.00 0.00 N ATOM 249 CA ARG A 15 10.790 2.764 10.242 1.00 0.00 C ATOM 250 C ARG A 15 9.656 3.782 10.164 1.00 0.00 C ATOM 251 O ARG A 15 8.951 3.862 9.158 1.00 0.00 O ATOM 252 CB ARG A 15 10.252 1.416 10.725 1.00 0.00 C ATOM 253 CG ARG A 15 9.907 0.459 9.596 1.00 0.00 C ATOM 254 CD ARG A 15 9.719 -0.962 10.105 1.00 0.00 C ATOM 255 NE ARG A 15 8.406 -1.499 9.756 1.00 0.00 N ATOM 256 CZ ARG A 15 8.107 -2.016 8.567 1.00 0.00 C ATOM 257 NH1 ARG A 15 9.023 -2.066 7.607 1.00 0.00 N ATOM 258 NH2 ARG A 15 6.888 -2.483 8.334 1.00 0.00 N ATOM 0 H ARG A 15 11.817 2.837 12.069 1.00 0.00 H new ATOM 0 HA ARG A 15 11.212 2.642 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.994 0.949 11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.362 1.585 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.995 0.793 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.700 0.476 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.495 -1.603 9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.841 -0.978 11.188 1.00 0.00 H new ATOM 0 HE ARG A 15 7.675 -1.476 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.962 -1.707 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.788 -2.464 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.179 -2.446 9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.659 -2.879 7.422 1.00 0.00 H new ATOM 272 N ALA A 16 9.485 4.555 11.232 1.00 0.00 N ATOM 273 CA ALA A 16 8.435 5.567 11.281 1.00 0.00 C ATOM 274 C ALA A 16 8.944 6.924 10.795 1.00 0.00 C ATOM 275 O ALA A 16 8.293 7.948 11.003 1.00 0.00 O ATOM 276 CB ALA A 16 7.887 5.687 12.695 1.00 0.00 C ATOM 0 H ALA A 16 10.059 4.500 12.074 1.00 0.00 H new ATOM 0 HA ALA A 16 7.634 5.251 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.104 6.445 12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.473 4.728 13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.690 5.974 13.373 1.00 0.00 H new ATOM 282 N LYS A 17 10.107 6.925 10.149 1.00 0.00 N ATOM 283 CA LYS A 17 10.700 8.157 9.634 1.00 0.00 C ATOM 284 C LYS A 17 11.270 7.957 8.229 1.00 0.00 C ATOM 285 O LYS A 17 11.829 8.885 7.643 1.00 0.00 O ATOM 286 CB LYS A 17 11.806 8.636 10.573 1.00 0.00 C ATOM 287 CG LYS A 17 12.902 7.606 10.779 1.00 0.00 C ATOM 288 CD LYS A 17 14.254 8.265 11.002 1.00 0.00 C ATOM 289 CE LYS A 17 14.470 8.615 12.467 1.00 0.00 C ATOM 290 NZ LYS A 17 15.807 8.173 12.953 1.00 0.00 N ATOM 0 H LYS A 17 10.658 6.086 9.969 1.00 0.00 H new ATOM 0 HA LYS A 17 9.913 8.909 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.245 9.549 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.369 8.891 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.656 6.979 11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.955 6.951 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.046 7.595 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.323 9.169 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.373 9.692 12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.692 8.148 13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.915 8.430 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.891 7.142 12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.551 8.638 12.394 1.00 0.00 H new ATOM 304 N ARG A 18 11.131 6.746 7.694 1.00 0.00 N ATOM 305 CA ARG A 18 11.636 6.439 6.362 1.00 0.00 C ATOM 306 C ARG A 18 10.724 5.440 5.657 1.00 0.00 C ATOM 307 O ARG A 18 10.413 5.596 4.476 1.00 0.00 O ATOM 308 CB ARG A 18 13.056 5.876 6.450 1.00 0.00 C ATOM 309 CG ARG A 18 13.847 6.013 5.160 1.00 0.00 C ATOM 310 CD ARG A 18 15.088 5.135 5.173 1.00 0.00 C ATOM 311 NE ARG A 18 14.833 3.818 4.597 1.00 0.00 N ATOM 312 CZ ARG A 18 15.788 3.004 4.152 1.00 0.00 C ATOM 313 NH1 ARG A 18 17.063 3.367 4.220 1.00 0.00 N ATOM 314 NH2 ARG A 18 15.468 1.824 3.640 1.00 0.00 N ATOM 0 H ARG A 18 10.674 5.964 8.163 1.00 0.00 H new ATOM 0 HA ARG A 18 11.655 7.362 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.591 6.387 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.004 4.822 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.216 5.741 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.138 7.054 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.885 5.626 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.440 5.020 6.198 1.00 0.00 H new ATOM 0 HE ARG A 18 13.865 3.503 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.315 4.273 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.791 2.740 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.490 1.539 3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.200 1.201 3.299 1.00 0.00 H new ATOM 328 N GLU A 19 10.295 4.418 6.390 1.00 0.00 N ATOM 329 CA GLU A 19 9.416 3.397 5.837 1.00 0.00 C ATOM 330 C GLU A 19 8.115 4.020 5.341 1.00 0.00 C ATOM 331 O GLU A 19 7.480 3.502 4.422 1.00 0.00 O ATOM 332 CB GLU A 19 9.117 2.324 6.887 1.00 0.00 C ATOM 333 CG GLU A 19 9.186 0.907 6.345 1.00 0.00 C ATOM 334 CD GLU A 19 7.955 0.527 5.545 1.00 0.00 C ATOM 335 OE1 GLU A 19 7.941 0.780 4.322 1.00 0.00 O ATOM 336 OE2 GLU A 19 7.006 -0.023 6.142 1.00 0.00 O ATOM 0 H GLU A 19 10.543 4.276 7.369 1.00 0.00 H new ATOM 0 HA GLU A 19 9.923 2.931 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.826 2.425 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.123 2.498 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.070 0.806 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.305 0.210 7.175 1.00 0.00 H new ATOM 343 N PHE A 20 7.725 5.137 5.950 1.00 0.00 N ATOM 344 CA PHE A 20 6.500 5.824 5.557 1.00 0.00 C ATOM 345 C PHE A 20 6.771 6.808 4.423 1.00 0.00 C ATOM 346 O PHE A 20 5.883 7.112 3.628 1.00 0.00 O ATOM 347 CB PHE A 20 5.861 6.531 6.766 1.00 0.00 C ATOM 348 CG PHE A 20 6.428 7.892 7.084 1.00 0.00 C ATOM 349 CD1 PHE A 20 6.227 8.966 6.229 1.00 0.00 C ATOM 350 CD2 PHE A 20 7.150 8.097 8.249 1.00 0.00 C ATOM 351 CE1 PHE A 20 6.739 10.214 6.528 1.00 0.00 C ATOM 352 CE2 PHE A 20 7.662 9.344 8.553 1.00 0.00 C ATOM 353 CZ PHE A 20 7.458 10.402 7.692 1.00 0.00 C ATOM 0 H PHE A 20 8.236 5.582 6.712 1.00 0.00 H new ATOM 0 HA PHE A 20 5.792 5.080 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.791 6.634 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.975 5.893 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.663 8.825 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.314 7.273 8.927 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.577 11.041 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.222 9.490 9.465 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.860 11.376 7.928 1.00 0.00 H new ATOM 363 N ASN A 21 8.003 7.298 4.348 1.00 0.00 N ATOM 364 CA ASN A 21 8.382 8.241 3.303 1.00 0.00 C ATOM 365 C ASN A 21 8.509 7.545 1.946 1.00 0.00 C ATOM 366 O ASN A 21 8.759 8.194 0.931 1.00 0.00 O ATOM 367 CB ASN A 21 9.700 8.930 3.661 1.00 0.00 C ATOM 368 CG ASN A 21 9.519 10.025 4.694 1.00 0.00 C ATOM 369 OD1 ASN A 21 8.606 10.844 4.593 1.00 0.00 O ATOM 370 ND2 ASN A 21 10.392 10.044 5.695 1.00 0.00 N ATOM 0 H ASN A 21 8.754 7.059 4.996 1.00 0.00 H new ATOM 0 HA ASN A 21 7.594 8.991 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.403 8.188 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.141 9.355 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.321 10.758 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.133 9.345 5.738 1.00 0.00 H new ATOM 377 N GLU A 22 8.332 6.225 1.933 1.00 0.00 N ATOM 378 CA GLU A 22 8.422 5.451 0.701 1.00 0.00 C ATOM 379 C GLU A 22 7.108 4.721 0.415 1.00 0.00 C ATOM 380 O GLU A 22 7.003 3.977 -0.561 1.00 0.00 O ATOM 381 CB GLU A 22 9.564 4.439 0.796 1.00 0.00 C ATOM 382 CG GLU A 22 10.935 5.081 0.936 1.00 0.00 C ATOM 383 CD GLU A 22 12.042 4.059 1.102 1.00 0.00 C ATOM 384 OE1 GLU A 22 12.206 3.540 2.226 1.00 0.00 O ATOM 385 OE2 GLU A 22 12.746 3.779 0.108 1.00 0.00 O ATOM 0 H GLU A 22 8.125 5.671 2.764 1.00 0.00 H new ATOM 0 HA GLU A 22 8.619 6.142 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.389 3.785 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.556 3.810 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.138 5.692 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.932 5.751 1.795 1.00 0.00 H new ATOM 392 N ASN A 23 6.111 4.932 1.271 1.00 0.00 N ATOM 393 CA ASN A 23 4.812 4.288 1.110 1.00 0.00 C ATOM 394 C ASN A 23 3.669 5.217 1.554 1.00 0.00 C ATOM 395 O ASN A 23 2.510 4.806 1.621 1.00 0.00 O ATOM 396 CB ASN A 23 4.807 2.968 1.900 1.00 0.00 C ATOM 397 CG ASN A 23 3.456 2.605 2.484 1.00 0.00 C ATOM 398 OD1 ASN A 23 2.720 1.792 1.925 1.00 0.00 O ATOM 399 ND2 ASN A 23 3.126 3.213 3.616 1.00 0.00 N ATOM 0 H ASN A 23 6.179 5.545 2.084 1.00 0.00 H new ATOM 0 HA ASN A 23 4.645 4.071 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.136 2.162 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.534 3.038 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.229 3.013 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.769 3.880 4.043 1.00 0.00 H new ATOM 406 N ARG A 24 3.998 6.474 1.845 1.00 0.00 N ATOM 407 CA ARG A 24 3.001 7.451 2.275 1.00 0.00 C ATOM 408 C ARG A 24 3.170 8.758 1.520 1.00 0.00 C ATOM 409 O ARG A 24 2.244 9.245 0.878 1.00 0.00 O ATOM 410 CB ARG A 24 3.142 7.707 3.766 1.00 0.00 C ATOM 411 CG ARG A 24 3.232 6.430 4.572 1.00 0.00 C ATOM 412 CD ARG A 24 2.431 6.519 5.861 1.00 0.00 C ATOM 413 NE ARG A 24 2.348 5.231 6.545 1.00 0.00 N ATOM 414 CZ ARG A 24 1.654 5.029 7.663 1.00 0.00 C ATOM 415 NH1 ARG A 24 0.983 6.027 8.224 1.00 0.00 N ATOM 416 NH2 ARG A 24 1.631 3.826 8.220 1.00 0.00 N ATOM 0 H ARG A 24 4.949 6.840 1.791 1.00 0.00 H new ATOM 0 HA ARG A 24 2.010 7.049 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.034 8.308 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.289 8.291 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.866 5.596 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.276 6.221 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.891 7.252 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.426 6.877 5.639 1.00 0.00 H new ATOM 0 HE ARG A 24 2.851 4.440 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.997 6.954 7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.453 5.867 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.145 3.056 7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.099 3.671 9.077 1.00 0.00 H new ATOM 430 N TYR A 25 4.372 9.310 1.603 1.00 0.00 N ATOM 431 CA TYR A 25 4.710 10.557 0.925 1.00 0.00 C ATOM 432 C TYR A 25 4.047 10.637 -0.457 1.00 0.00 C ATOM 433 O TYR A 25 3.681 11.713 -0.920 1.00 0.00 O ATOM 434 CB TYR A 25 6.224 10.626 0.738 1.00 0.00 C ATOM 435 CG TYR A 25 6.663 9.683 -0.349 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.345 8.339 -0.262 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.323 10.135 -1.479 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.679 7.461 -1.261 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.661 9.265 -2.496 1.00 0.00 C ATOM 440 CZ TYR A 25 7.336 7.926 -2.384 1.00 0.00 C ATOM 441 OH TYR A 25 7.669 7.052 -3.394 1.00 0.00 O ATOM 0 H TYR A 25 5.140 8.908 2.141 1.00 0.00 H new ATOM 0 HA TYR A 25 4.351 11.386 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.519 11.644 0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.724 10.371 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.823 7.974 0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.577 11.181 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.430 6.414 -1.171 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.176 9.628 -3.373 1.00 0.00 H new ATOM 0 HH TYR A 25 8.125 7.540 -4.111 1.00 0.00 H new ATOM 451 N LEU A 26 3.925 9.477 -1.112 1.00 0.00 N ATOM 452 CA LEU A 26 3.337 9.381 -2.447 1.00 0.00 C ATOM 453 C LEU A 26 1.982 10.065 -2.501 1.00 0.00 C ATOM 454 O LEU A 26 1.561 10.566 -3.542 1.00 0.00 O ATOM 455 CB LEU A 26 3.201 7.909 -2.857 1.00 0.00 C ATOM 456 CG LEU A 26 2.111 7.118 -2.124 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.684 5.910 -2.945 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.593 6.681 -0.747 1.00 0.00 C ATOM 0 H LEU A 26 4.231 8.582 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 26 4.000 9.889 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.000 7.865 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.158 7.414 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 26 1.248 7.771 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.910 5.361 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.293 6.243 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.543 5.259 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.803 6.122 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.474 6.048 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.847 7.560 -0.155 1.00 0.00 H new ATOM 470 N THR A 27 1.311 10.086 -1.364 1.00 0.00 N ATOM 471 CA THR A 27 0.005 10.711 -1.252 1.00 0.00 C ATOM 472 C THR A 27 0.144 12.230 -1.341 1.00 0.00 C ATOM 473 O THR A 27 -0.828 12.950 -1.564 1.00 0.00 O ATOM 474 CB THR A 27 -0.652 10.292 0.062 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.211 11.112 1.130 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.355 8.849 0.433 1.00 0.00 C ATOM 0 H THR A 27 1.653 9.673 -0.496 1.00 0.00 H new ATOM 0 HA THR A 27 -0.631 10.383 -2.074 1.00 0.00 H new ATOM 0 HB THR A 27 -1.725 10.403 -0.096 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.681 10.824 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.847 8.607 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.726 8.188 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.721 8.715 0.541 1.00 0.00 H new ATOM 484 N GLU A 28 1.379 12.700 -1.186 1.00 0.00 N ATOM 485 CA GLU A 28 1.692 14.117 -1.267 1.00 0.00 C ATOM 486 C GLU A 28 2.972 14.327 -2.079 1.00 0.00 C ATOM 487 O GLU A 28 3.582 15.397 -2.035 1.00 0.00 O ATOM 488 CB GLU A 28 1.857 14.710 0.133 1.00 0.00 C ATOM 489 CG GLU A 28 0.561 15.242 0.724 1.00 0.00 C ATOM 490 CD GLU A 28 0.648 15.457 2.222 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.549 16.198 2.665 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.186 14.882 2.953 1.00 0.00 O ATOM 0 H GLU A 28 2.188 12.107 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 28 0.867 14.626 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.263 13.947 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.587 15.518 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.305 16.184 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.247 14.543 0.507 1.00 0.00 H new ATOM 499 N ARG A 29 3.375 13.290 -2.817 1.00 0.00 N ATOM 500 CA ARG A 29 4.579 13.336 -3.638 1.00 0.00 C ATOM 501 C ARG A 29 4.242 13.062 -5.099 1.00 0.00 C ATOM 502 O ARG A 29 4.672 13.788 -5.994 1.00 0.00 O ATOM 503 CB ARG A 29 5.600 12.312 -3.141 1.00 0.00 C ATOM 504 CG ARG A 29 6.998 12.528 -3.695 1.00 0.00 C ATOM 505 CD ARG A 29 7.675 13.726 -3.049 1.00 0.00 C ATOM 506 NE ARG A 29 9.127 13.685 -3.206 1.00 0.00 N ATOM 507 CZ ARG A 29 9.753 13.892 -4.362 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.060 14.155 -5.463 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.077 13.835 -4.417 1.00 0.00 N ATOM 0 H ARG A 29 2.877 12.401 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 29 5.009 14.335 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.640 12.350 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.261 11.312 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.599 11.635 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.944 12.677 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.288 14.644 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.426 13.755 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 29 9.694 13.486 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.042 14.199 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.546 14.313 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.614 13.633 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.558 13.993 -5.302 1.00 0.00 H new ATOM 523 N ARG A 30 3.467 12.006 -5.331 1.00 0.00 N ATOM 524 CA ARG A 30 3.069 11.633 -6.684 1.00 0.00 C ATOM 525 C ARG A 30 1.549 11.653 -6.848 1.00 0.00 C ATOM 526 O ARG A 30 1.041 11.623 -7.969 1.00 0.00 O ATOM 527 CB ARG A 30 3.611 10.245 -7.034 1.00 0.00 C ATOM 528 CG ARG A 30 3.340 9.198 -5.966 1.00 0.00 C ATOM 529 CD ARG A 30 2.739 7.933 -6.559 1.00 0.00 C ATOM 530 NE ARG A 30 3.407 6.728 -6.071 1.00 0.00 N ATOM 531 CZ ARG A 30 3.175 5.507 -6.548 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.293 5.324 -7.522 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.827 4.466 -6.047 1.00 0.00 N ATOM 0 H ARG A 30 3.103 11.395 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 30 3.493 12.369 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.166 9.917 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.686 10.315 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.270 8.953 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.661 9.608 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.679 7.885 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.811 7.972 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 30 4.091 6.829 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.788 6.121 -7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.120 4.386 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.505 4.602 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.650 3.530 -6.412 1.00 0.00 H new ATOM 547 N ARG A 31 0.823 11.702 -5.731 1.00 0.00 N ATOM 548 CA ARG A 31 -0.636 11.725 -5.774 1.00 0.00 C ATOM 549 C ARG A 31 -1.139 12.900 -6.606 1.00 0.00 C ATOM 550 O ARG A 31 -2.259 12.874 -7.117 1.00 0.00 O ATOM 551 CB ARG A 31 -1.217 11.802 -4.361 1.00 0.00 C ATOM 552 CG ARG A 31 -2.559 11.100 -4.226 1.00 0.00 C ATOM 553 CD ARG A 31 -2.940 10.885 -2.769 1.00 0.00 C ATOM 554 NE ARG A 31 -2.886 9.475 -2.392 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.388 8.991 -1.257 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.982 9.800 -0.389 1.00 0.00 N ATOM 557 NH2 ARG A 31 -3.296 7.696 -0.991 1.00 0.00 N ATOM 0 H ARG A 31 1.220 11.726 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.969 10.799 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.510 11.358 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.332 12.849 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.330 11.692 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.519 10.138 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.267 11.457 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.946 11.268 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.438 8.823 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.056 10.797 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.365 9.424 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.841 7.070 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.680 7.325 -0.122 1.00 0.00 H new ATOM 571 N GLN A 32 -0.303 13.923 -6.751 1.00 0.00 N ATOM 572 CA GLN A 32 -0.667 15.093 -7.536 1.00 0.00 C ATOM 573 C GLN A 32 -0.382 14.840 -9.009 1.00 0.00 C ATOM 574 O GLN A 32 -1.004 15.436 -9.887 1.00 0.00 O ATOM 575 CB GLN A 32 0.104 16.323 -7.053 1.00 0.00 C ATOM 576 CG GLN A 32 -0.543 17.018 -5.865 1.00 0.00 C ATOM 577 CD GLN A 32 -0.261 16.314 -4.553 1.00 0.00 C ATOM 578 OE1 GLN A 32 0.881 16.267 -4.093 1.00 0.00 O ATOM 579 NE2 GLN A 32 -1.302 15.762 -3.941 1.00 0.00 N ATOM 0 H GLN A 32 0.628 13.964 -6.336 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.733 15.281 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.116 16.024 -6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.191 17.033 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.180 18.044 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.621 17.069 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.231 15.825 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.173 15.275 -3.054 1.00 0.00 H new ATOM 588 N GLN A 33 0.559 13.937 -9.268 1.00 0.00 N ATOM 589 CA GLN A 33 0.924 13.585 -10.630 1.00 0.00 C ATOM 590 C GLN A 33 -0.043 12.553 -11.177 1.00 0.00 C ATOM 591 O GLN A 33 -0.515 12.667 -12.309 1.00 0.00 O ATOM 592 CB GLN A 33 2.353 13.042 -10.673 1.00 0.00 C ATOM 593 CG GLN A 33 3.177 13.600 -11.816 1.00 0.00 C ATOM 594 CD GLN A 33 3.491 12.559 -12.877 1.00 0.00 C ATOM 595 OE1 GLN A 33 4.596 12.523 -13.417 1.00 0.00 O ATOM 596 NE2 GLN A 33 2.517 11.705 -13.181 1.00 0.00 N ATOM 0 H GLN A 33 1.082 13.437 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 33 0.873 14.481 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.850 13.273 -9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.318 11.956 -10.757 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.639 14.429 -12.275 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.110 14.004 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.615 11.771 -12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.672 10.985 -13.886 1.00 0.00 H new ATOM 605 N LEU A 34 -0.357 11.557 -10.359 1.00 0.00 N ATOM 606 CA LEU A 34 -1.290 10.527 -10.761 1.00 0.00 C ATOM 607 C LEU A 34 -2.650 11.160 -10.970 1.00 0.00 C ATOM 608 O LEU A 34 -3.205 11.110 -12.063 1.00 0.00 O ATOM 609 CB LEU A 34 -1.377 9.428 -9.703 1.00 0.00 C ATOM 610 CG LEU A 34 -1.061 8.016 -10.202 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.598 7.140 -9.049 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.274 7.400 -10.890 1.00 0.00 C ATOM 0 H LEU A 34 0.022 11.445 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.945 10.070 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.691 9.671 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.382 9.431 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.255 8.083 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.377 6.139 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.300 7.569 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.385 7.083 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.025 6.397 -11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.103 7.345 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.562 8.017 -11.741 1.00 0.00 H new ATOM 624 N SER A 35 -3.175 11.770 -9.909 1.00 0.00 N ATOM 625 CA SER A 35 -4.468 12.436 -9.963 1.00 0.00 C ATOM 626 C SER A 35 -4.659 13.177 -11.289 1.00 0.00 C ATOM 627 O SER A 35 -5.775 13.275 -11.799 1.00 0.00 O ATOM 628 CB SER A 35 -4.598 13.422 -8.798 1.00 0.00 C ATOM 629 OG SER A 35 -5.890 14.002 -8.762 1.00 0.00 O ATOM 0 H SER A 35 -2.719 11.815 -8.998 1.00 0.00 H new ATOM 0 HA SER A 35 -5.242 11.672 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.401 12.907 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.847 14.206 -8.895 1.00 0.00 H new ATOM 0 HG SER A 35 -6.201 14.051 -7.834 1.00 0.00 H new ATOM 635 N SER A 36 -3.561 13.697 -11.842 1.00 0.00 N ATOM 636 CA SER A 36 -3.615 14.426 -13.106 1.00 0.00 C ATOM 637 C SER A 36 -3.693 13.467 -14.293 1.00 0.00 C ATOM 638 O SER A 36 -4.247 13.805 -15.340 1.00 0.00 O ATOM 639 CB SER A 36 -2.390 15.331 -13.249 1.00 0.00 C ATOM 640 OG SER A 36 -2.193 16.111 -12.081 1.00 0.00 O ATOM 0 H SER A 36 -2.629 13.626 -11.435 1.00 0.00 H new ATOM 0 HA SER A 36 -4.516 15.039 -13.101 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.505 14.723 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.517 15.986 -14.111 1.00 0.00 H new ATOM 0 HG SER A 36 -1.681 15.594 -11.425 1.00 0.00 H new ATOM 646 N GLU A 37 -3.138 12.271 -14.125 1.00 0.00 N ATOM 647 CA GLU A 37 -3.146 11.263 -15.177 1.00 0.00 C ATOM 648 C GLU A 37 -4.536 10.659 -15.340 1.00 0.00 C ATOM 649 O GLU A 37 -5.143 10.759 -16.406 1.00 0.00 O ATOM 650 CB GLU A 37 -2.131 10.161 -14.865 1.00 0.00 C ATOM 651 CG GLU A 37 -2.046 9.091 -15.941 1.00 0.00 C ATOM 652 CD GLU A 37 -0.618 8.792 -16.356 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.264 8.771 -15.472 1.00 0.00 O ATOM 654 OE2 GLU A 37 -0.383 8.577 -17.564 1.00 0.00 O ATOM 0 H GLU A 37 -2.675 11.976 -13.265 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.868 11.748 -16.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.147 10.611 -14.733 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.396 9.692 -13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.513 8.176 -15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.614 9.413 -16.814 1.00 0.00 H new ATOM 661 N LEU A 38 -5.041 10.037 -14.276 1.00 0.00 N ATOM 662 CA LEU A 38 -6.370 9.426 -14.321 1.00 0.00 C ATOM 663 C LEU A 38 -7.417 10.463 -14.716 1.00 0.00 C ATOM 664 O LEU A 38 -8.235 10.232 -15.606 1.00 0.00 O ATOM 665 CB LEU A 38 -6.780 8.810 -12.970 1.00 0.00 C ATOM 666 CG LEU A 38 -5.657 8.282 -12.065 1.00 0.00 C ATOM 667 CD1 LEU A 38 -4.598 7.545 -12.859 1.00 0.00 C ATOM 668 CD2 LEU A 38 -5.029 9.408 -11.267 1.00 0.00 C ATOM 0 H LEU A 38 -4.558 9.943 -13.383 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.319 8.629 -15.063 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.337 9.562 -12.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.467 7.988 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.109 7.573 -11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.821 7.187 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.052 6.697 -13.372 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.158 8.220 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.237 9.008 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.610 10.148 -11.949 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.788 9.879 -10.643 1.00 0.00 H new ATOM 680 N GLY A 39 -7.386 11.604 -14.032 1.00 0.00 N ATOM 681 CA GLY A 39 -8.338 12.664 -14.303 1.00 0.00 C ATOM 682 C GLY A 39 -9.346 12.813 -13.181 1.00 0.00 C ATOM 683 O GLY A 39 -10.548 12.908 -13.423 1.00 0.00 O ATOM 0 H GLY A 39 -6.715 11.812 -13.292 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.805 13.605 -14.441 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.861 12.454 -15.236 1.00 0.00 H new ATOM 687 N LEU A 40 -8.850 12.820 -11.946 1.00 0.00 N ATOM 688 CA LEU A 40 -9.710 12.942 -10.774 1.00 0.00 C ATOM 689 C LEU A 40 -9.210 14.025 -9.828 1.00 0.00 C ATOM 690 O LEU A 40 -8.451 14.911 -10.220 1.00 0.00 O ATOM 691 CB LEU A 40 -9.808 11.603 -10.037 1.00 0.00 C ATOM 692 CG LEU A 40 -8.983 10.464 -10.616 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.514 10.644 -10.270 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.501 9.154 -10.071 1.00 0.00 C ATOM 0 H LEU A 40 -7.856 12.742 -11.732 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.703 13.229 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.503 11.757 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.854 11.296 -10.019 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.074 10.464 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.937 9.821 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.156 11.587 -10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.394 10.654 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.915 8.332 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.416 9.153 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.546 9.030 -10.353 1.00 0.00 H new ATOM 706 N ASN A 41 -9.656 13.949 -8.579 1.00 0.00 N ATOM 707 CA ASN A 41 -9.267 14.934 -7.569 1.00 0.00 C ATOM 708 C ASN A 41 -8.512 14.293 -6.401 1.00 0.00 C ATOM 709 O ASN A 41 -7.283 14.225 -6.419 1.00 0.00 O ATOM 710 CB ASN A 41 -10.489 15.726 -7.065 1.00 0.00 C ATOM 711 CG ASN A 41 -11.786 15.334 -7.751 1.00 0.00 C ATOM 712 OD1 ASN A 41 -11.841 15.202 -8.974 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.840 15.151 -6.964 1.00 0.00 N ATOM 0 H ASN A 41 -10.284 13.220 -8.240 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.583 15.632 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.594 15.573 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.312 16.790 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.739 14.891 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.750 15.271 -5.955 1.00 0.00 H new ATOM 720 N GLU A 42 -9.237 13.839 -5.381 1.00 0.00 N ATOM 721 CA GLU A 42 -8.607 13.226 -4.217 1.00 0.00 C ATOM 722 C GLU A 42 -9.417 12.036 -3.718 1.00 0.00 C ATOM 723 O GLU A 42 -8.866 10.971 -3.442 1.00 0.00 O ATOM 724 CB GLU A 42 -8.451 14.257 -3.096 1.00 0.00 C ATOM 725 CG GLU A 42 -7.116 14.983 -3.120 1.00 0.00 C ATOM 726 CD GLU A 42 -7.269 16.482 -3.287 1.00 0.00 C ATOM 727 OE1 GLU A 42 -8.284 16.913 -3.876 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.375 17.226 -2.832 1.00 0.00 O ATOM 0 H GLU A 42 -10.255 13.884 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.622 12.869 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.255 14.989 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.566 13.757 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.578 14.778 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.508 14.591 -3.935 1.00 0.00 H new ATOM 735 N ALA A 43 -10.728 12.221 -3.611 1.00 0.00 N ATOM 736 CA ALA A 43 -11.609 11.157 -3.151 1.00 0.00 C ATOM 737 C ALA A 43 -11.643 10.005 -4.143 1.00 0.00 C ATOM 738 O ALA A 43 -12.130 8.923 -3.826 1.00 0.00 O ATOM 739 CB ALA A 43 -13.012 11.683 -2.926 1.00 0.00 C ATOM 0 H ALA A 43 -11.202 13.096 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.213 10.787 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.654 10.872 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.989 12.471 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.404 12.085 -3.860 1.00 0.00 H new ATOM 745 N GLN A 44 -11.119 10.234 -5.342 1.00 0.00 N ATOM 746 CA GLN A 44 -11.090 9.197 -6.362 1.00 0.00 C ATOM 747 C GLN A 44 -9.702 8.576 -6.435 1.00 0.00 C ATOM 748 O GLN A 44 -9.539 7.454 -6.915 1.00 0.00 O ATOM 749 CB GLN A 44 -11.496 9.751 -7.729 1.00 0.00 C ATOM 750 CG GLN A 44 -12.861 10.428 -7.739 1.00 0.00 C ATOM 751 CD GLN A 44 -12.886 11.756 -7.002 1.00 0.00 C ATOM 752 OE1 GLN A 44 -13.947 12.227 -6.595 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.721 12.373 -6.824 1.00 0.00 N ATOM 0 H GLN A 44 -10.711 11.124 -5.629 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.812 8.429 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.743 10.467 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.500 8.937 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.170 10.589 -8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.593 9.758 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.862 11.951 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.687 13.268 -6.336 1.00 0.00 H new ATOM 762 N ILE A 45 -8.705 9.301 -5.929 1.00 0.00 N ATOM 763 CA ILE A 45 -7.345 8.817 -5.910 1.00 0.00 C ATOM 764 C ILE A 45 -7.283 7.508 -5.159 1.00 0.00 C ATOM 765 O ILE A 45 -6.929 6.471 -5.716 1.00 0.00 O ATOM 766 CB ILE A 45 -6.412 9.846 -5.239 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.533 11.190 -5.942 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.973 9.371 -5.272 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.072 11.130 -7.375 1.00 0.00 C ATOM 0 H ILE A 45 -8.826 10.231 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.014 8.665 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.713 9.956 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.571 11.522 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.944 11.933 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.334 10.113 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.890 8.423 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.658 9.235 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.178 12.113 -7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.026 10.825 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.678 10.408 -7.922 1.00 0.00 H new ATOM 781 N LYS A 46 -7.667 7.565 -3.896 1.00 0.00 N ATOM 782 CA LYS A 46 -7.683 6.379 -3.052 1.00 0.00 C ATOM 783 C LYS A 46 -8.579 5.298 -3.656 1.00 0.00 C ATOM 784 O LYS A 46 -8.518 4.134 -3.259 1.00 0.00 O ATOM 785 CB LYS A 46 -8.172 6.732 -1.645 1.00 0.00 C ATOM 786 CG LYS A 46 -9.542 7.390 -1.623 1.00 0.00 C ATOM 787 CD LYS A 46 -9.444 8.880 -1.332 1.00 0.00 C ATOM 788 CE LYS A 46 -10.228 9.259 -0.085 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.395 9.164 1.145 1.00 0.00 N ATOM 0 H LYS A 46 -7.972 8.420 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.665 5.994 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.205 5.824 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.450 7.400 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.034 7.238 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.164 6.911 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.398 9.158 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.821 9.444 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.607 10.276 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.094 8.605 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.966 9.430 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.054 8.188 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.582 9.807 1.064 1.00 0.00 H new ATOM 803 N ILE A 47 -9.435 5.699 -4.596 1.00 0.00 N ATOM 804 CA ILE A 47 -10.370 4.776 -5.226 1.00 0.00 C ATOM 805 C ILE A 47 -9.731 3.871 -6.289 1.00 0.00 C ATOM 806 O ILE A 47 -10.133 2.714 -6.415 1.00 0.00 O ATOM 807 CB ILE A 47 -11.569 5.551 -5.830 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.762 5.496 -4.877 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.961 5.027 -7.206 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.552 6.304 -3.617 1.00 0.00 C ATOM 0 H ILE A 47 -9.498 6.659 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.717 4.113 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.257 6.587 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.649 5.863 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.957 4.458 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.805 5.602 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.116 5.127 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.242 3.977 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.434 6.224 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.683 5.922 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.387 7.349 -3.878 1.00 0.00 H new ATOM 822 N TRP A 48 -8.762 4.359 -7.068 1.00 0.00 N ATOM 823 CA TRP A 48 -8.173 3.486 -8.087 1.00 0.00 C ATOM 824 C TRP A 48 -7.158 2.515 -7.484 1.00 0.00 C ATOM 825 O TRP A 48 -7.030 1.390 -7.964 1.00 0.00 O ATOM 826 CB TRP A 48 -7.560 4.242 -9.275 1.00 0.00 C ATOM 827 CG TRP A 48 -7.164 5.651 -8.998 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.975 6.740 -8.954 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.843 6.123 -8.756 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.237 7.861 -8.686 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.921 7.504 -8.556 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.607 5.503 -8.681 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.797 8.277 -8.285 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.495 6.263 -8.414 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.596 7.641 -8.215 1.00 0.00 C ATOM 0 H TRP A 48 -8.383 5.305 -7.020 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.010 2.913 -8.487 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.681 3.696 -9.617 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.277 4.238 -10.096 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.044 6.724 -9.108 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.607 8.808 -8.598 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.519 4.437 -8.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.875 9.344 -8.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.527 5.787 -8.357 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.705 8.213 -8.002 1.00 0.00 H new ATOM 846 N PHE A 49 -6.455 2.916 -6.419 1.00 0.00 N ATOM 847 CA PHE A 49 -5.503 2.000 -5.795 1.00 0.00 C ATOM 848 C PHE A 49 -6.262 0.829 -5.194 1.00 0.00 C ATOM 849 O PHE A 49 -5.852 -0.324 -5.326 1.00 0.00 O ATOM 850 CB PHE A 49 -4.662 2.654 -4.693 1.00 0.00 C ATOM 851 CG PHE A 49 -4.209 4.048 -4.975 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.035 4.287 -5.666 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.942 5.119 -4.519 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.609 5.577 -5.899 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.527 6.404 -4.746 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.358 6.642 -5.438 1.00 0.00 C ATOM 0 H PHE A 49 -6.524 3.837 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.817 1.678 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.243 2.658 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.784 2.034 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.447 3.456 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.858 4.944 -3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.692 5.755 -6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.116 7.233 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.030 7.655 -5.618 1.00 0.00 H new ATOM 866 N GLN A 50 -7.388 1.131 -4.541 1.00 0.00 N ATOM 867 CA GLN A 50 -8.205 0.086 -3.938 1.00 0.00 C ATOM 868 C GLN A 50 -8.696 -0.870 -5.017 1.00 0.00 C ATOM 869 O GLN A 50 -8.918 -2.054 -4.764 1.00 0.00 O ATOM 870 CB GLN A 50 -9.388 0.692 -3.177 1.00 0.00 C ATOM 871 CG GLN A 50 -10.406 1.380 -4.069 1.00 0.00 C ATOM 872 CD GLN A 50 -11.776 1.473 -3.427 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.583 0.549 -3.521 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.046 2.596 -2.769 1.00 0.00 N ATOM 0 H GLN A 50 -7.747 2.078 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.595 -0.468 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.887 -0.096 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.010 1.412 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.053 2.383 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.486 0.835 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.347 3.337 -2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.952 2.717 -2.317 1.00 0.00 H new ATOM 883 N ASN A 51 -8.841 -0.345 -6.230 1.00 0.00 N ATOM 884 CA ASN A 51 -9.276 -1.143 -7.363 1.00 0.00 C ATOM 885 C ASN A 51 -8.077 -1.827 -8.008 1.00 0.00 C ATOM 886 O ASN A 51 -8.198 -2.917 -8.568 1.00 0.00 O ATOM 887 CB ASN A 51 -9.997 -0.266 -8.389 1.00 0.00 C ATOM 888 CG ASN A 51 -11.499 -0.245 -8.181 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.221 -1.094 -8.701 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.976 0.730 -7.415 1.00 0.00 N ATOM 0 H ASN A 51 -8.662 0.635 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.971 -1.904 -7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.611 0.751 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.777 -0.631 -9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.978 0.796 -7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.340 1.413 -7.004 1.00 0.00 H new ATOM 897 N LYS A 52 -6.913 -1.182 -7.914 1.00 0.00 N ATOM 898 CA LYS A 52 -5.690 -1.736 -8.479 1.00 0.00 C ATOM 899 C LYS A 52 -5.248 -2.968 -7.697 1.00 0.00 C ATOM 900 O LYS A 52 -4.627 -3.877 -8.247 1.00 0.00 O ATOM 901 CB LYS A 52 -4.578 -0.686 -8.474 1.00 0.00 C ATOM 902 CG LYS A 52 -3.513 -0.921 -9.533 1.00 0.00 C ATOM 903 CD LYS A 52 -3.735 -0.042 -10.753 1.00 0.00 C ATOM 904 CE LYS A 52 -4.438 -0.802 -11.867 1.00 0.00 C ATOM 905 NZ LYS A 52 -5.223 0.106 -12.748 1.00 0.00 N ATOM 0 H LYS A 52 -6.795 -0.280 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.892 -2.031 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.019 0.299 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.105 -0.674 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.529 -0.718 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.521 -1.969 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.330 0.828 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.776 0.330 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.699 -1.338 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.101 -1.550 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.687 -0.450 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.945 0.599 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.586 0.805 -13.182 1.00 0.00 H new ATOM 919 N ARG A 53 -5.574 -2.992 -6.407 1.00 0.00 N ATOM 920 CA ARG A 53 -5.213 -4.113 -5.548 1.00 0.00 C ATOM 921 C ARG A 53 -6.310 -5.174 -5.549 1.00 0.00 C ATOM 922 O ARG A 53 -6.038 -6.363 -5.389 1.00 0.00 O ATOM 923 CB ARG A 53 -4.955 -3.626 -4.119 1.00 0.00 C ATOM 924 CG ARG A 53 -3.636 -4.111 -3.539 1.00 0.00 C ATOM 925 CD ARG A 53 -2.816 -2.961 -2.975 1.00 0.00 C ATOM 926 NE ARG A 53 -1.986 -2.327 -3.998 1.00 0.00 N ATOM 927 CZ ARG A 53 -0.956 -1.528 -3.726 1.00 0.00 C ATOM 928 NH1 ARG A 53 -0.628 -1.262 -2.468 1.00 0.00 N ATOM 929 NH2 ARG A 53 -0.254 -0.993 -4.716 1.00 0.00 N ATOM 0 H ARG A 53 -6.087 -2.247 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.300 -4.561 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.968 -2.536 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.770 -3.961 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.830 -4.840 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.063 -4.622 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.485 -2.219 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.181 -3.330 -2.170 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.209 -2.507 -4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.166 -1.670 -1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.162 -0.649 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.503 -1.194 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.535 -0.381 -4.509 1.00 0.00 H new ATOM 943 N ALA A 54 -7.551 -4.733 -5.730 1.00 0.00 N ATOM 944 CA ALA A 54 -8.691 -5.642 -5.752 1.00 0.00 C ATOM 945 C ALA A 54 -8.667 -6.528 -6.993 1.00 0.00 C ATOM 946 O ALA A 54 -9.192 -7.641 -6.983 1.00 0.00 O ATOM 947 CB ALA A 54 -9.992 -4.857 -5.689 1.00 0.00 C ATOM 0 H ALA A 54 -7.793 -3.751 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.624 -6.288 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.835 -5.548 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.020 -4.273 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.055 -4.187 -6.546 1.00 0.00 H new ATOM 953 N LYS A 55 -8.054 -6.028 -8.063 1.00 0.00 N ATOM 954 CA LYS A 55 -7.963 -6.777 -9.312 1.00 0.00 C ATOM 955 C LYS A 55 -7.295 -8.131 -9.093 1.00 0.00 C ATOM 956 O LYS A 55 -7.554 -9.084 -9.828 1.00 0.00 O ATOM 957 CB LYS A 55 -7.185 -5.975 -10.357 1.00 0.00 C ATOM 958 CG LYS A 55 -7.459 -6.411 -11.787 1.00 0.00 C ATOM 959 CD LYS A 55 -8.640 -5.660 -12.384 1.00 0.00 C ATOM 960 CE LYS A 55 -8.194 -4.685 -13.464 1.00 0.00 C ATOM 961 NZ LYS A 55 -7.923 -5.374 -14.756 1.00 0.00 N ATOM 0 H LYS A 55 -7.614 -5.108 -8.090 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.976 -6.949 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.436 -4.919 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.118 -6.070 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.572 -6.239 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.659 -7.482 -11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.349 -6.372 -12.806 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.163 -5.118 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.965 -3.928 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.295 -4.165 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.622 -4.676 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.170 -6.079 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.788 -5.850 -15.084 1.00 0.00 H new ATOM 975 N ILE A 56 -6.427 -8.202 -8.085 1.00 0.00 N ATOM 976 CA ILE A 56 -5.706 -9.432 -7.761 1.00 0.00 C ATOM 977 C ILE A 56 -5.113 -10.058 -9.012 1.00 0.00 C ATOM 978 O ILE A 56 -5.062 -11.280 -9.156 1.00 0.00 O ATOM 979 CB ILE A 56 -6.606 -10.457 -7.039 1.00 0.00 C ATOM 980 CG1 ILE A 56 -5.771 -11.637 -6.540 1.00 0.00 C ATOM 981 CG2 ILE A 56 -7.717 -10.940 -7.959 1.00 0.00 C ATOM 982 CD1 ILE A 56 -6.339 -12.297 -5.302 1.00 0.00 C ATOM 0 H ILE A 56 -6.205 -7.416 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.899 -9.156 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.065 -9.968 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.693 -12.379 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.759 -11.292 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.339 -11.662 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.328 -10.092 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.281 -11.413 -8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.696 -13.125 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.391 -11.569 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.339 -12.673 -5.517 1.00 0.00 H new ATOM 994 N ARG A 57 -4.670 -9.197 -9.908 1.00 0.00 N ATOM 995 CA ARG A 57 -4.071 -9.630 -11.166 1.00 0.00 C ATOM 996 C ARG A 57 -3.518 -8.440 -11.943 1.00 0.00 C ATOM 997 O ARG A 57 -2.434 -8.516 -12.520 1.00 0.00 O ATOM 998 CB ARG A 57 -5.103 -10.373 -12.016 1.00 0.00 C ATOM 999 CG ARG A 57 -4.486 -11.314 -13.038 1.00 0.00 C ATOM 1000 CD ARG A 57 -4.573 -12.765 -12.589 1.00 0.00 C ATOM 1001 NE ARG A 57 -3.283 -13.271 -12.123 1.00 0.00 N ATOM 1002 CZ ARG A 57 -3.007 -14.564 -11.969 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -3.923 -15.484 -12.242 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -1.808 -14.939 -11.541 1.00 0.00 N ATOM 0 H ARG A 57 -4.712 -8.185 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.247 -10.305 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.759 -10.944 -11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.726 -9.645 -12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.996 -11.198 -13.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.442 -11.044 -13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.308 -12.854 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.927 -13.380 -13.416 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.552 -12.594 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.846 -15.202 -12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.704 -16.473 -12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.099 -14.237 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.596 -15.930 -11.423 1.00 0.00 H new ATOM 1018 N ARG A 58 -4.272 -7.343 -11.951 1.00 0.00 N ATOM 1019 CA ARG A 58 -3.870 -6.125 -12.655 1.00 0.00 C ATOM 1020 C ARG A 58 -3.310 -6.440 -14.042 1.00 0.00 C ATOM 1021 O ARG A 58 -2.386 -5.778 -14.514 1.00 0.00 O ATOM 1022 CB ARG A 58 -2.841 -5.343 -11.830 1.00 0.00 C ATOM 1023 CG ARG A 58 -1.458 -5.979 -11.783 1.00 0.00 C ATOM 1024 CD ARG A 58 -1.255 -6.779 -10.507 1.00 0.00 C ATOM 1025 NE ARG A 58 -0.258 -7.833 -10.676 1.00 0.00 N ATOM 1026 CZ ARG A 58 0.388 -8.413 -9.665 1.00 0.00 C ATOM 1027 NH1 ARG A 58 0.140 -8.048 -8.412 1.00 0.00 N ATOM 1028 NH2 ARG A 58 1.282 -9.362 -9.907 1.00 0.00 N ATOM 0 H ARG A 58 -5.171 -7.272 -11.475 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.759 -5.509 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.751 -4.338 -12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.214 -5.238 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.327 -6.631 -12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.697 -5.202 -11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.943 -6.110 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.203 -7.222 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.044 -8.143 -11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.548 -7.320 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.638 -8.496 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.475 -9.648 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.777 -9.806 -9.133 1.00 0.00 H new ATOM 1042 N SER A 59 -3.876 -7.455 -14.687 1.00 0.00 N ATOM 1043 CA SER A 59 -3.434 -7.857 -16.018 1.00 0.00 C ATOM 1044 C SER A 59 -4.627 -8.143 -16.924 1.00 0.00 C ATOM 1045 O SER A 59 -5.025 -7.233 -17.681 1.00 0.00 O ATOM 1046 CB SER A 59 -2.539 -9.095 -15.928 1.00 0.00 C ATOM 1047 OG SER A 59 -2.180 -9.560 -17.217 1.00 0.00 O ATOM 1048 OXT SER A 59 -5.152 -9.275 -16.870 1.00 0.00 O ATOM 0 H SER A 59 -4.641 -8.014 -14.310 1.00 0.00 H new ATOM 0 HA SER A 59 -2.863 -7.034 -16.448 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.639 -8.857 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.059 -9.884 -15.385 1.00 0.00 H new ATOM 0 HG SER A 59 -1.607 -10.350 -17.132 1.00 0.00 H new TER 1054 SER A 59