USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 795 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 Single : A 0 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-2) USER MOD Single : A 1 MET CE :methyl -139:sc= -3.81 (180deg=-8.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 32:sc= 1.14 USER MOD Single : A -2 GLY N :NH3+ -127:sc= 0.0606 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -5.51! USER MOD Single : A 20 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-1.8!) USER MOD Single : A 30 SER OG : rot 88:sc= 0.0644 USER MOD Single : A 40 SER OG : rot 170:sc= -0.0563 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 57 HIS : no HE2:sc= -4.95! C(o=-5!,f=-6.2!) USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= -0.0429 (180deg=-0.339) USER MOD Single : A 76 SER OG : rot 42:sc= 0.00239 USER MOD Single : A 87 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 19.160 5.322 -2.664 1.00 0.00 N ATOM 2 CA GLY A -2 18.909 6.744 -2.831 1.00 0.00 C ATOM 3 C GLY A -2 17.736 6.985 -3.783 1.00 0.00 C ATOM 4 O GLY A -2 16.876 6.120 -3.946 1.00 0.00 O ATOM 0 H1 GLY A -2 19.170 5.088 -1.651 1.00 0.00 H new ATOM 0 H2 GLY A -2 18.410 4.779 -3.137 1.00 0.00 H new ATOM 0 H3 GLY A -2 20.080 5.080 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.695 7.195 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.803 7.232 -3.219 1.00 0.00 H new ATOM 8 N SER A -1 17.738 8.164 -4.387 1.00 0.00 N ATOM 9 CA SER A -1 16.685 8.530 -5.319 1.00 0.00 C ATOM 10 C SER A -1 16.637 7.529 -6.475 1.00 0.00 C ATOM 11 O SER A -1 17.464 7.584 -7.383 1.00 0.00 O ATOM 12 CB SER A -1 16.891 9.948 -5.854 1.00 0.00 C ATOM 13 OG SER A -1 18.060 10.050 -6.662 1.00 0.00 O ATOM 0 H SER A -1 18.453 8.879 -4.249 1.00 0.00 H new ATOM 0 HA SER A -1 15.734 8.506 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.020 10.245 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A -1 16.967 10.643 -5.018 1.00 0.00 H new ATOM 0 HG SER A -1 18.212 9.201 -7.127 1.00 0.00 H new ATOM 19 N HIS A 0 15.661 6.636 -6.403 1.00 0.00 N ATOM 20 CA HIS A 0 15.495 5.624 -7.432 1.00 0.00 C ATOM 21 C HIS A 0 14.154 4.912 -7.240 1.00 0.00 C ATOM 22 O HIS A 0 13.777 4.583 -6.116 1.00 0.00 O ATOM 23 CB HIS A 0 16.682 4.659 -7.442 1.00 0.00 C ATOM 24 CG HIS A 0 16.447 3.404 -8.248 1.00 0.00 C ATOM 25 ND1 HIS A 0 15.784 3.407 -9.462 1.00 0.00 N ATOM 26 CD2 HIS A 0 16.795 2.108 -8.002 1.00 0.00 C ATOM 27 CE1 HIS A 0 15.739 2.163 -9.917 1.00 0.00 C ATOM 28 NE2 HIS A 0 16.366 1.360 -9.010 1.00 0.00 N ATOM 0 H HIS A 0 14.977 6.592 -5.648 1.00 0.00 H new ATOM 0 HA HIS A 0 15.478 6.098 -8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 0 17.554 5.177 -7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 0 16.919 4.380 -6.415 1.00 0.00 H new ATOM 0 HD2 HIS A 0 17.329 1.751 -7.134 1.00 0.00 H new ATOM 0 HE1 HIS A 0 15.286 1.842 -10.843 1.00 0.00 H new ATOM 0 HE2 HIS A 0 16.485 0.350 -9.093 1.00 0.00 H new ATOM 36 N MET A 1 13.471 4.694 -8.354 1.00 0.00 N ATOM 37 CA MET A 1 12.180 4.027 -8.322 1.00 0.00 C ATOM 38 C MET A 1 11.406 4.270 -9.619 1.00 0.00 C ATOM 39 O MET A 1 11.303 5.405 -10.082 1.00 0.00 O ATOM 40 CB MET A 1 11.366 4.547 -7.136 1.00 0.00 C ATOM 41 CG MET A 1 9.867 4.341 -7.368 1.00 0.00 C ATOM 42 SD MET A 1 9.063 3.926 -5.829 1.00 0.00 S ATOM 43 CE MET A 1 9.842 2.357 -5.486 1.00 0.00 C ATOM 0 H MET A 1 13.787 4.967 -9.285 1.00 0.00 H new ATOM 0 HA MET A 1 12.348 2.955 -8.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.671 4.030 -6.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.572 5.607 -6.985 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.427 5.247 -7.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.709 3.546 -8.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.098 1.657 -5.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.278 1.959 -6.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.626 2.495 -4.742 1.00 0.00 H new ATOM 53 N ASP A 2 10.881 3.185 -10.169 1.00 0.00 N ATOM 54 CA ASP A 2 10.119 3.265 -11.404 1.00 0.00 C ATOM 55 C ASP A 2 8.832 2.451 -11.258 1.00 0.00 C ATOM 56 O ASP A 2 8.746 1.566 -10.407 1.00 0.00 O ATOM 57 CB ASP A 2 10.912 2.690 -12.579 1.00 0.00 C ATOM 58 CG ASP A 2 12.395 3.064 -12.603 1.00 0.00 C ATOM 59 OD1 ASP A 2 12.676 4.261 -12.831 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.216 2.144 -12.393 1.00 0.00 O ATOM 0 H ASP A 2 10.968 2.245 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 2 9.899 4.315 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.827 1.604 -12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.453 3.028 -13.508 1.00 0.00 H new ATOM 65 N LEU A 3 7.864 2.777 -12.101 1.00 0.00 N ATOM 66 CA LEU A 3 6.586 2.087 -12.076 1.00 0.00 C ATOM 67 C LEU A 3 6.805 0.606 -12.389 1.00 0.00 C ATOM 68 O LEU A 3 6.261 -0.263 -11.710 1.00 0.00 O ATOM 69 CB LEU A 3 5.588 2.772 -13.013 1.00 0.00 C ATOM 70 CG LEU A 3 4.843 3.977 -12.434 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.789 3.533 -11.418 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.821 4.992 -11.838 1.00 0.00 C ATOM 0 H LEU A 3 7.939 3.510 -12.806 1.00 0.00 H new ATOM 0 HA LEU A 3 6.143 2.142 -11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.122 3.095 -13.907 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.852 2.033 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 3 4.317 4.476 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.274 4.408 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.067 2.877 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.273 2.997 -10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.266 5.838 -11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.394 4.520 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.501 5.342 -12.615 1.00 0.00 H new ATOM 84 N GLU A 4 7.603 0.363 -13.419 1.00 0.00 N ATOM 85 CA GLU A 4 7.901 -0.998 -13.830 1.00 0.00 C ATOM 86 C GLU A 4 8.692 -1.722 -12.738 1.00 0.00 C ATOM 87 O GLU A 4 8.398 -2.871 -12.412 1.00 0.00 O ATOM 88 CB GLU A 4 8.659 -1.016 -15.159 1.00 0.00 C ATOM 89 CG GLU A 4 7.718 -0.728 -16.331 1.00 0.00 C ATOM 90 CD GLU A 4 8.478 -0.740 -17.659 1.00 0.00 C ATOM 91 OE1 GLU A 4 9.675 -0.381 -17.632 1.00 0.00 O ATOM 92 OE2 GLU A 4 7.844 -1.108 -18.672 1.00 0.00 O ATOM 0 H GLU A 4 8.052 1.086 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 4 6.959 -1.526 -13.979 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.456 -0.273 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.133 -1.988 -15.299 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.923 -1.474 -16.356 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.241 0.242 -16.189 1.00 0.00 H new ATOM 99 N THR A 5 9.680 -1.019 -12.204 1.00 0.00 N ATOM 100 CA THR A 5 10.515 -1.580 -11.156 1.00 0.00 C ATOM 101 C THR A 5 9.694 -1.812 -9.886 1.00 0.00 C ATOM 102 O THR A 5 9.924 -2.779 -9.161 1.00 0.00 O ATOM 103 CB THR A 5 11.706 -0.642 -10.947 1.00 0.00 C ATOM 104 OG1 THR A 5 12.649 -1.053 -11.933 1.00 0.00 O ATOM 105 CG2 THR A 5 12.422 -0.893 -9.618 1.00 0.00 C ATOM 0 H THR A 5 9.921 -0.066 -12.477 1.00 0.00 H new ATOM 0 HA THR A 5 10.900 -2.560 -11.439 1.00 0.00 H new ATOM 0 HB THR A 5 11.365 0.392 -10.986 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.452 -0.495 -11.870 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.259 -0.201 -9.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.725 -0.739 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.793 -1.918 -9.592 1.00 0.00 H new ATOM 113 N LEU A 6 8.753 -0.908 -9.655 1.00 0.00 N ATOM 114 CA LEU A 6 7.896 -1.002 -8.486 1.00 0.00 C ATOM 115 C LEU A 6 7.228 -2.378 -8.457 1.00 0.00 C ATOM 116 O LEU A 6 7.141 -3.008 -7.404 1.00 0.00 O ATOM 117 CB LEU A 6 6.905 0.163 -8.453 1.00 0.00 C ATOM 118 CG LEU A 6 7.352 1.402 -7.674 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.998 2.683 -8.431 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.775 1.396 -6.257 1.00 0.00 C ATOM 0 H LEU A 6 8.566 -0.107 -10.258 1.00 0.00 H new ATOM 0 HA LEU A 6 8.486 -0.915 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.691 0.461 -9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.969 -0.194 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 6 8.438 1.373 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.327 3.548 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.496 2.682 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.919 2.733 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.108 2.287 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.686 1.389 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.119 0.508 -5.728 1.00 0.00 H new ATOM 132 N ARG A 7 6.773 -2.804 -9.626 1.00 0.00 N ATOM 133 CA ARG A 7 6.116 -4.094 -9.749 1.00 0.00 C ATOM 134 C ARG A 7 7.045 -5.211 -9.269 1.00 0.00 C ATOM 135 O ARG A 7 6.582 -6.250 -8.799 1.00 0.00 O ATOM 136 CB ARG A 7 5.706 -4.369 -11.197 1.00 0.00 C ATOM 137 CG ARG A 7 5.231 -3.087 -11.884 1.00 0.00 C ATOM 138 CD ARG A 7 4.277 -2.302 -10.982 1.00 0.00 C ATOM 139 NE ARG A 7 3.077 -1.895 -11.746 1.00 0.00 N ATOM 140 CZ ARG A 7 3.111 -1.140 -12.853 1.00 0.00 C ATOM 141 NH1 ARG A 7 4.285 -0.705 -13.331 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.972 -0.820 -13.481 1.00 0.00 N ATOM 0 H ARG A 7 6.846 -2.278 -10.497 1.00 0.00 H new ATOM 0 HA ARG A 7 5.220 -4.069 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.550 -4.788 -11.745 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.910 -5.114 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.090 -2.466 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.730 -3.336 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.985 -2.914 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.781 -1.421 -10.585 1.00 0.00 H new ATOM 0 HE ARG A 7 2.167 -2.209 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.152 -0.948 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.311 -0.130 -14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.079 -1.151 -13.117 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.998 -0.245 -14.323 1.00 0.00 H new ATOM 156 N ALA A 8 8.339 -4.960 -9.403 1.00 0.00 N ATOM 157 CA ALA A 8 9.337 -5.931 -8.989 1.00 0.00 C ATOM 158 C ALA A 8 9.169 -6.224 -7.497 1.00 0.00 C ATOM 159 O ALA A 8 9.023 -7.379 -7.100 1.00 0.00 O ATOM 160 CB ALA A 8 10.733 -5.404 -9.326 1.00 0.00 C ATOM 0 H ALA A 8 8.719 -4.098 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 8 9.205 -6.870 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.482 -6.133 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.810 -5.240 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.903 -4.463 -8.802 1.00 0.00 H new ATOM 166 N ARG A 9 9.195 -5.158 -6.710 1.00 0.00 N ATOM 167 CA ARG A 9 9.047 -5.286 -5.271 1.00 0.00 C ATOM 168 C ARG A 9 7.574 -5.476 -4.903 1.00 0.00 C ATOM 169 O ARG A 9 7.257 -6.157 -3.929 1.00 0.00 O ATOM 170 CB ARG A 9 9.591 -4.051 -4.549 1.00 0.00 C ATOM 171 CG ARG A 9 10.618 -3.319 -5.414 1.00 0.00 C ATOM 172 CD ARG A 9 10.001 -2.082 -6.070 1.00 0.00 C ATOM 173 NE ARG A 9 10.766 -0.873 -5.692 1.00 0.00 N ATOM 174 CZ ARG A 9 12.019 -0.621 -6.092 1.00 0.00 C ATOM 175 NH1 ARG A 9 12.657 -1.492 -6.886 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.635 0.502 -5.699 1.00 0.00 N ATOM 0 H ARG A 9 9.316 -4.201 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 9 9.619 -6.159 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.770 -3.377 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.050 -4.349 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.470 -3.023 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.997 -3.992 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.000 -2.197 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.961 -1.976 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 9 10.310 -0.188 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.188 -2.347 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.611 -1.300 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.150 1.165 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.589 0.694 -6.004 1.00 0.00 H new ATOM 190 N ARG A 10 6.714 -4.862 -5.702 1.00 0.00 N ATOM 191 CA ARG A 10 5.282 -4.955 -5.472 1.00 0.00 C ATOM 192 C ARG A 10 4.847 -6.421 -5.422 1.00 0.00 C ATOM 193 O ARG A 10 3.973 -6.787 -4.637 1.00 0.00 O ATOM 194 CB ARG A 10 4.500 -4.235 -6.573 1.00 0.00 C ATOM 195 CG ARG A 10 3.476 -3.269 -5.975 1.00 0.00 C ATOM 196 CD ARG A 10 4.109 -1.906 -5.689 1.00 0.00 C ATOM 197 NE ARG A 10 5.164 -2.044 -4.660 1.00 0.00 N ATOM 198 CZ ARG A 10 4.923 -2.280 -3.364 1.00 0.00 C ATOM 199 NH1 ARG A 10 3.662 -2.406 -2.929 1.00 0.00 N ATOM 200 NH2 ARG A 10 5.943 -2.391 -2.502 1.00 0.00 N ATOM 0 H ARG A 10 6.981 -4.298 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 10 5.067 -4.476 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.190 -3.688 -7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.992 -4.967 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.640 -3.148 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.072 -3.687 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.534 -1.494 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.346 -1.206 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 10 6.136 -1.954 -4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.885 -2.322 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.479 -2.586 -1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.903 -2.296 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.759 -2.571 -1.515 1.00 0.00 H new ATOM 214 N GLU A 11 5.476 -7.221 -6.271 1.00 0.00 N ATOM 215 CA GLU A 11 5.165 -8.639 -6.333 1.00 0.00 C ATOM 216 C GLU A 11 5.574 -9.330 -5.031 1.00 0.00 C ATOM 217 O GLU A 11 4.807 -10.112 -4.471 1.00 0.00 O ATOM 218 CB GLU A 11 5.840 -9.296 -7.539 1.00 0.00 C ATOM 219 CG GLU A 11 4.826 -9.577 -8.650 1.00 0.00 C ATOM 220 CD GLU A 11 5.112 -10.918 -9.327 1.00 0.00 C ATOM 221 OE1 GLU A 11 4.628 -11.939 -8.792 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.808 -10.893 -10.365 1.00 0.00 O ATOM 0 H GLU A 11 6.199 -6.914 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 11 4.088 -8.750 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.629 -8.646 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.315 -10.228 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.818 -9.583 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.861 -8.777 -9.390 1.00 0.00 H new ATOM 229 N ALA A 12 6.783 -9.017 -4.587 1.00 0.00 N ATOM 230 CA ALA A 12 7.303 -9.599 -3.362 1.00 0.00 C ATOM 231 C ALA A 12 6.560 -9.003 -2.164 1.00 0.00 C ATOM 232 O ALA A 12 6.311 -9.694 -1.177 1.00 0.00 O ATOM 233 CB ALA A 12 8.813 -9.364 -3.286 1.00 0.00 C ATOM 0 H ALA A 12 7.417 -8.368 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 12 7.139 -10.677 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.203 -9.801 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.297 -9.831 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.015 -8.293 -3.293 1.00 0.00 H new ATOM 239 N VAL A 13 6.227 -7.727 -2.290 1.00 0.00 N ATOM 240 CA VAL A 13 5.517 -7.031 -1.230 1.00 0.00 C ATOM 241 C VAL A 13 4.128 -7.650 -1.060 1.00 0.00 C ATOM 242 O VAL A 13 3.608 -7.720 0.052 1.00 0.00 O ATOM 243 CB VAL A 13 5.471 -5.531 -1.529 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.462 -4.823 -0.623 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.860 -4.903 -1.399 1.00 0.00 C ATOM 0 H VAL A 13 6.436 -7.157 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 13 6.041 -7.144 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 13 5.142 -5.405 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.449 -3.758 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.469 -5.243 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.748 -4.963 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.799 -3.837 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.230 -5.046 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.542 -5.379 -2.104 1.00 0.00 H new ATOM 255 N LEU A 14 3.568 -8.084 -2.180 1.00 0.00 N ATOM 256 CA LEU A 14 2.249 -8.695 -2.169 1.00 0.00 C ATOM 257 C LEU A 14 2.313 -10.022 -1.411 1.00 0.00 C ATOM 258 O LEU A 14 1.422 -10.335 -0.623 1.00 0.00 O ATOM 259 CB LEU A 14 1.707 -8.825 -3.593 1.00 0.00 C ATOM 260 CG LEU A 14 1.044 -7.575 -4.176 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.471 -7.759 -4.285 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.414 -6.331 -3.366 1.00 0.00 C ATOM 0 H LEU A 14 4.003 -8.025 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 14 1.539 -8.060 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.529 -9.115 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.982 -9.639 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 14 1.424 -7.426 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.918 -6.857 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.689 -8.606 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.887 -7.946 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.930 -5.456 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.081 -6.455 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.495 -6.194 -3.384 1.00 0.00 H new ATOM 274 N SER A 15 3.376 -10.767 -1.676 1.00 0.00 N ATOM 275 CA SER A 15 3.568 -12.054 -1.029 1.00 0.00 C ATOM 276 C SER A 15 3.734 -11.862 0.480 1.00 0.00 C ATOM 277 O SER A 15 3.130 -12.585 1.271 1.00 0.00 O ATOM 278 CB SER A 15 4.782 -12.786 -1.607 1.00 0.00 C ATOM 279 OG SER A 15 4.578 -14.195 -1.665 1.00 0.00 O ATOM 0 H SER A 15 4.113 -10.504 -2.330 1.00 0.00 H new ATOM 0 HA SER A 15 2.685 -12.665 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.990 -12.408 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.659 -12.572 -0.997 1.00 0.00 H new ATOM 0 HG SER A 15 5.374 -14.626 -2.041 1.00 0.00 H new ATOM 285 N LEU A 16 4.554 -10.883 0.833 1.00 0.00 N ATOM 286 CA LEU A 16 4.806 -10.587 2.233 1.00 0.00 C ATOM 287 C LEU A 16 3.580 -9.896 2.832 1.00 0.00 C ATOM 288 O LEU A 16 3.236 -10.129 3.990 1.00 0.00 O ATOM 289 CB LEU A 16 6.100 -9.785 2.386 1.00 0.00 C ATOM 290 CG LEU A 16 6.176 -8.477 1.596 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.422 -7.357 2.316 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.629 -8.095 1.305 1.00 0.00 C ATOM 0 H LEU A 16 5.052 -10.285 0.174 1.00 0.00 H new ATOM 0 HA LEU A 16 4.960 -11.508 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.240 -9.557 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.934 -10.418 2.084 1.00 0.00 H new ATOM 0 HG LEU A 16 5.685 -8.630 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.492 -6.438 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.375 -7.637 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.862 -7.197 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.654 -7.162 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.167 -7.967 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.103 -8.884 0.720 1.00 0.00 H new ATOM 304 N CYS A 17 2.953 -9.061 2.017 1.00 0.00 N ATOM 305 CA CYS A 17 1.773 -8.335 2.452 1.00 0.00 C ATOM 306 C CYS A 17 0.714 -9.352 2.882 1.00 0.00 C ATOM 307 O CYS A 17 0.033 -9.158 3.888 1.00 0.00 O ATOM 308 CB CYS A 17 1.252 -7.396 1.362 1.00 0.00 C ATOM 309 SG CYS A 17 2.042 -5.753 1.522 1.00 0.00 S ATOM 0 H CYS A 17 3.240 -8.871 1.057 1.00 0.00 H new ATOM 0 HA CYS A 17 2.028 -7.697 3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.462 -7.815 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.169 -7.298 1.442 1.00 0.00 H new ATOM 0 HG CYS A 17 1.595 -4.964 0.591 1.00 0.00 H new ATOM 315 N ALA A 18 0.609 -10.416 2.099 1.00 0.00 N ATOM 316 CA ALA A 18 -0.355 -11.465 2.386 1.00 0.00 C ATOM 317 C ALA A 18 0.058 -12.194 3.666 1.00 0.00 C ATOM 318 O ALA A 18 -0.794 -12.641 4.432 1.00 0.00 O ATOM 319 CB ALA A 18 -0.457 -12.407 1.185 1.00 0.00 C ATOM 0 H ALA A 18 1.176 -10.574 1.266 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.345 -11.042 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.180 -13.194 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.782 -11.846 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.518 -12.854 0.989 1.00 0.00 H new ATOM 325 N ARG A 19 1.365 -12.292 3.858 1.00 0.00 N ATOM 326 CA ARG A 19 1.901 -12.960 5.032 1.00 0.00 C ATOM 327 C ARG A 19 1.703 -12.089 6.275 1.00 0.00 C ATOM 328 O ARG A 19 1.772 -12.582 7.400 1.00 0.00 O ATOM 329 CB ARG A 19 3.391 -13.262 4.862 1.00 0.00 C ATOM 330 CG ARG A 19 3.605 -14.670 4.304 1.00 0.00 C ATOM 331 CD ARG A 19 4.687 -14.673 3.222 1.00 0.00 C ATOM 332 NE ARG A 19 5.433 -15.951 3.256 1.00 0.00 N ATOM 333 CZ ARG A 19 4.943 -17.118 2.816 1.00 0.00 C ATOM 334 NH1 ARG A 19 3.705 -17.176 2.307 1.00 0.00 N ATOM 335 NH2 ARG A 19 5.692 -18.228 2.886 1.00 0.00 N ATOM 0 H ARG A 19 2.069 -11.920 3.220 1.00 0.00 H new ATOM 0 HA ARG A 19 1.363 -13.900 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.840 -12.529 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.897 -13.167 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.891 -15.345 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.670 -15.047 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.232 -14.534 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.371 -13.839 3.378 1.00 0.00 H new ATOM 0 HE ARG A 19 6.379 -15.943 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.135 -16.332 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.332 -18.064 1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.634 -18.184 3.274 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.319 -19.117 2.551 1.00 0.00 H new ATOM 349 N HIS A 20 1.459 -10.810 6.029 1.00 0.00 N ATOM 350 CA HIS A 20 1.250 -9.867 7.114 1.00 0.00 C ATOM 351 C HIS A 20 -0.247 -9.738 7.401 1.00 0.00 C ATOM 352 O HIS A 20 -0.657 -8.923 8.227 1.00 0.00 O ATOM 353 CB HIS A 20 1.912 -8.523 6.801 1.00 0.00 C ATOM 354 CG HIS A 20 3.418 -8.539 6.913 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.078 -8.644 8.125 1.00 0.00 N ATOM 356 CD2 HIS A 20 4.384 -8.464 5.953 1.00 0.00 C ATOM 357 CE1 HIS A 20 5.383 -8.630 7.893 1.00 0.00 C ATOM 358 NE2 HIS A 20 5.570 -8.518 6.546 1.00 0.00 N ATOM 0 H HIS A 20 1.401 -10.405 5.095 1.00 0.00 H new ATOM 0 HA HIS A 20 1.727 -10.239 8.021 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.636 -8.220 5.791 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.515 -7.768 7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.213 -8.376 4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.161 -8.696 8.639 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.473 -8.482 6.073 1.00 0.00 H new ATOM 366 N GLY A 21 -1.023 -10.554 6.703 1.00 0.00 N ATOM 367 CA GLY A 21 -2.466 -10.541 6.872 1.00 0.00 C ATOM 368 C GLY A 21 -3.148 -9.821 5.707 1.00 0.00 C ATOM 369 O GLY A 21 -4.315 -10.075 5.413 1.00 0.00 O ATOM 0 H GLY A 21 -0.680 -11.228 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.837 -11.564 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.722 -10.047 7.809 1.00 0.00 H new ATOM 373 N ALA A 22 -2.391 -8.936 5.075 1.00 0.00 N ATOM 374 CA ALA A 22 -2.908 -8.177 3.949 1.00 0.00 C ATOM 375 C ALA A 22 -3.611 -9.128 2.978 1.00 0.00 C ATOM 376 O ALA A 22 -3.324 -10.324 2.958 1.00 0.00 O ATOM 377 CB ALA A 22 -1.765 -7.406 3.285 1.00 0.00 C ATOM 0 H ALA A 22 -1.423 -8.728 5.321 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.643 -7.446 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.153 -6.837 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.318 -6.724 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.009 -8.108 2.933 1.00 0.00 H new ATOM 383 N VAL A 23 -4.519 -8.561 2.198 1.00 0.00 N ATOM 384 CA VAL A 23 -5.265 -9.343 1.227 1.00 0.00 C ATOM 385 C VAL A 23 -5.571 -8.475 0.005 1.00 0.00 C ATOM 386 O VAL A 23 -6.182 -7.414 0.130 1.00 0.00 O ATOM 387 CB VAL A 23 -6.523 -9.923 1.878 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.244 -11.303 2.476 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.081 -8.970 2.936 1.00 0.00 C ATOM 0 H VAL A 23 -4.755 -7.569 2.219 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.672 -10.190 0.883 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.279 -10.041 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.154 -11.693 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.914 -11.981 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.465 -11.220 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.974 -9.406 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.331 -8.806 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.336 -8.018 2.470 1.00 0.00 H new ATOM 399 N ARG A 24 -5.132 -8.956 -1.148 1.00 0.00 N ATOM 400 CA ARG A 24 -5.350 -8.237 -2.392 1.00 0.00 C ATOM 401 C ARG A 24 -4.258 -7.186 -2.596 1.00 0.00 C ATOM 402 O ARG A 24 -3.631 -7.135 -3.653 1.00 0.00 O ATOM 403 CB ARG A 24 -6.717 -7.550 -2.397 1.00 0.00 C ATOM 404 CG ARG A 24 -7.806 -8.491 -1.877 1.00 0.00 C ATOM 405 CD ARG A 24 -8.675 -9.011 -3.024 1.00 0.00 C ATOM 406 NE ARG A 24 -9.918 -9.609 -2.486 1.00 0.00 N ATOM 407 CZ ARG A 24 -10.792 -10.311 -3.220 1.00 0.00 C ATOM 408 NH1 ARG A 24 -10.566 -10.506 -4.526 1.00 0.00 N ATOM 409 NH2 ARG A 24 -11.893 -10.817 -2.647 1.00 0.00 N ATOM 0 H ARG A 24 -4.626 -9.836 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.317 -8.962 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.680 -6.654 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.962 -7.228 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.347 -9.330 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.429 -7.967 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.919 -8.196 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.124 -9.754 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.122 -9.478 -1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.728 -10.120 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.231 -11.040 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.065 -10.668 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.559 -11.351 -3.205 1.00 0.00 H new ATOM 423 N VAL A 25 -4.063 -6.373 -1.568 1.00 0.00 N ATOM 424 CA VAL A 25 -3.057 -5.326 -1.622 1.00 0.00 C ATOM 425 C VAL A 25 -3.326 -4.429 -2.832 1.00 0.00 C ATOM 426 O VAL A 25 -3.081 -4.826 -3.970 1.00 0.00 O ATOM 427 CB VAL A 25 -1.658 -5.945 -1.635 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.588 -4.886 -1.362 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.559 -7.096 -0.633 1.00 0.00 C ATOM 0 H VAL A 25 -4.585 -6.418 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.111 -4.697 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.480 -6.352 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.397 -5.352 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.636 -4.114 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.762 -4.436 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.555 -7.518 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.767 -6.724 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.285 -7.867 -0.892 1.00 0.00 H new ATOM 439 N ARG A 26 -3.825 -3.236 -2.545 1.00 0.00 N ATOM 440 CA ARG A 26 -4.129 -2.279 -3.595 1.00 0.00 C ATOM 441 C ARG A 26 -3.425 -0.948 -3.322 1.00 0.00 C ATOM 442 O ARG A 26 -3.120 -0.628 -2.174 1.00 0.00 O ATOM 443 CB ARG A 26 -5.636 -2.038 -3.702 1.00 0.00 C ATOM 444 CG ARG A 26 -6.248 -2.882 -4.822 1.00 0.00 C ATOM 445 CD ARG A 26 -7.731 -2.553 -5.009 1.00 0.00 C ATOM 446 NE ARG A 26 -8.565 -3.661 -4.493 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.897 -3.723 -4.623 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.554 -2.740 -5.253 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.571 -4.768 -4.124 1.00 0.00 N ATOM 0 H ARG A 26 -4.027 -2.910 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.771 -2.696 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.115 -2.283 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.826 -0.982 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.711 -2.701 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.133 -3.941 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.976 -1.629 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.945 -2.387 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.096 -4.426 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.040 -1.945 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.568 -2.786 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.070 -5.516 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.585 -4.815 -4.223 1.00 0.00 H new ATOM 463 N VAL A 27 -3.188 -0.209 -4.395 1.00 0.00 N ATOM 464 CA VAL A 27 -2.526 1.080 -4.285 1.00 0.00 C ATOM 465 C VAL A 27 -3.497 2.185 -4.704 1.00 0.00 C ATOM 466 O VAL A 27 -3.969 2.204 -5.840 1.00 0.00 O ATOM 467 CB VAL A 27 -1.234 1.076 -5.105 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.449 0.404 -6.463 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.690 2.496 -5.276 1.00 0.00 C ATOM 0 H VAL A 27 -3.442 -0.478 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.239 1.275 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.491 0.496 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.516 0.414 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.770 -0.627 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.214 0.945 -7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.228 2.466 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.429 3.109 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.481 2.926 -4.296 1.00 0.00 H new ATOM 479 N PHE A 28 -3.768 3.079 -3.764 1.00 0.00 N ATOM 480 CA PHE A 28 -4.674 4.185 -4.021 1.00 0.00 C ATOM 481 C PHE A 28 -3.972 5.528 -3.818 1.00 0.00 C ATOM 482 O PHE A 28 -3.079 5.646 -2.980 1.00 0.00 O ATOM 483 CB PHE A 28 -5.821 4.066 -3.016 1.00 0.00 C ATOM 484 CG PHE A 28 -5.558 4.772 -1.685 1.00 0.00 C ATOM 485 CD1 PHE A 28 -4.739 4.201 -0.762 1.00 0.00 C ATOM 486 CD2 PHE A 28 -6.143 5.973 -1.425 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.495 4.857 0.474 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.899 6.629 -0.189 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.080 6.057 0.734 1.00 0.00 C ATOM 0 H PHE A 28 -3.375 3.059 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.029 4.143 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.726 4.479 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.014 3.011 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.274 3.248 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.793 6.427 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.845 4.403 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.364 7.582 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.894 6.556 1.674 1.00 0.00 H new ATOM 499 N GLY A 29 -4.401 6.508 -4.600 1.00 0.00 N ATOM 500 CA GLY A 29 -3.824 7.839 -4.517 1.00 0.00 C ATOM 501 C GLY A 29 -3.364 8.324 -5.894 1.00 0.00 C ATOM 502 O GLY A 29 -3.752 7.761 -6.916 1.00 0.00 O ATOM 0 H GLY A 29 -5.141 6.407 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.559 8.533 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.978 7.831 -3.829 1.00 0.00 H new ATOM 506 N SER A 30 -2.543 9.364 -5.875 1.00 0.00 N ATOM 507 CA SER A 30 -2.026 9.932 -7.109 1.00 0.00 C ATOM 508 C SER A 30 -0.985 8.992 -7.721 1.00 0.00 C ATOM 509 O SER A 30 -0.907 8.857 -8.941 1.00 0.00 O ATOM 510 CB SER A 30 -1.416 11.314 -6.866 1.00 0.00 C ATOM 511 OG SER A 30 -0.638 11.352 -5.673 1.00 0.00 O ATOM 0 H SER A 30 -2.223 9.828 -5.025 1.00 0.00 H new ATOM 0 HA SER A 30 -2.856 10.049 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.791 11.589 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.212 12.056 -6.803 1.00 0.00 H new ATOM 0 HG SER A 30 0.282 11.079 -5.873 1.00 0.00 H new ATOM 517 N VAL A 31 -0.212 8.367 -6.846 1.00 0.00 N ATOM 518 CA VAL A 31 0.821 7.444 -7.285 1.00 0.00 C ATOM 519 C VAL A 31 0.181 6.322 -8.105 1.00 0.00 C ATOM 520 O VAL A 31 0.770 5.843 -9.073 1.00 0.00 O ATOM 521 CB VAL A 31 1.609 6.928 -6.079 1.00 0.00 C ATOM 522 CG1 VAL A 31 2.809 6.091 -6.526 1.00 0.00 C ATOM 523 CG2 VAL A 31 2.051 8.083 -5.178 1.00 0.00 C ATOM 0 H VAL A 31 -0.280 8.481 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 31 1.537 7.952 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 31 0.949 6.284 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.352 5.737 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.461 5.237 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.470 6.702 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.609 7.689 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.686 8.764 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.173 8.620 -4.818 1.00 0.00 H new ATOM 533 N ALA A 32 -1.016 5.936 -7.688 1.00 0.00 N ATOM 534 CA ALA A 32 -1.742 4.880 -8.372 1.00 0.00 C ATOM 535 C ALA A 32 -1.926 5.263 -9.842 1.00 0.00 C ATOM 536 O ALA A 32 -1.912 4.400 -10.718 1.00 0.00 O ATOM 537 CB ALA A 32 -3.075 4.634 -7.662 1.00 0.00 C ATOM 0 H ALA A 32 -1.501 6.336 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.180 3.947 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.620 3.842 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.888 4.336 -6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.668 5.549 -7.674 1.00 0.00 H new ATOM 543 N ARG A 33 -2.095 6.558 -10.066 1.00 0.00 N ATOM 544 CA ARG A 33 -2.282 7.065 -11.415 1.00 0.00 C ATOM 545 C ARG A 33 -0.927 7.337 -12.072 1.00 0.00 C ATOM 546 O ARG A 33 -0.841 7.473 -13.292 1.00 0.00 O ATOM 547 CB ARG A 33 -3.106 8.354 -11.409 1.00 0.00 C ATOM 548 CG ARG A 33 -4.583 8.062 -11.678 1.00 0.00 C ATOM 549 CD ARG A 33 -4.912 8.221 -13.164 1.00 0.00 C ATOM 550 NE ARG A 33 -5.578 9.522 -13.399 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.927 9.980 -14.608 1.00 0.00 C ATOM 552 NH1 ARG A 33 -5.675 9.245 -15.701 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.527 11.172 -14.726 1.00 0.00 N ATOM 0 H ARG A 33 -2.106 7.271 -9.337 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.820 6.306 -11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.000 8.853 -10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.723 9.038 -12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.822 7.048 -11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.204 8.738 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.999 8.159 -13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.560 7.407 -13.491 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.784 10.106 -12.589 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.218 8.338 -15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.941 9.593 -16.622 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.718 11.731 -13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.793 11.520 -15.647 1.00 0.00 H new ATOM 567 N GLY A 34 0.097 7.409 -11.235 1.00 0.00 N ATOM 568 CA GLY A 34 1.443 7.663 -11.719 1.00 0.00 C ATOM 569 C GLY A 34 1.858 9.112 -11.455 1.00 0.00 C ATOM 570 O GLY A 34 2.609 9.698 -12.232 1.00 0.00 O ATOM 0 H GLY A 34 0.022 7.296 -10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.143 6.986 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.494 7.456 -12.788 1.00 0.00 H new ATOM 574 N GLU A 35 1.349 9.647 -10.355 1.00 0.00 N ATOM 575 CA GLU A 35 1.657 11.017 -9.978 1.00 0.00 C ATOM 576 C GLU A 35 2.163 11.069 -8.536 1.00 0.00 C ATOM 577 O GLU A 35 1.570 10.466 -7.643 1.00 0.00 O ATOM 578 CB GLU A 35 0.439 11.924 -10.165 1.00 0.00 C ATOM 579 CG GLU A 35 0.245 12.284 -11.639 1.00 0.00 C ATOM 580 CD GLU A 35 0.784 13.685 -11.937 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.229 14.642 -11.355 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.738 13.767 -12.740 1.00 0.00 O ATOM 0 H GLU A 35 0.726 9.157 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 35 2.447 11.385 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.453 11.423 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.565 12.834 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.756 11.553 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.814 12.236 -11.892 1.00 0.00 H new ATOM 589 N ALA A 36 3.256 11.796 -8.352 1.00 0.00 N ATOM 590 CA ALA A 36 3.849 11.935 -7.033 1.00 0.00 C ATOM 591 C ALA A 36 5.177 12.685 -7.152 1.00 0.00 C ATOM 592 O ALA A 36 6.168 12.130 -7.625 1.00 0.00 O ATOM 593 CB ALA A 36 4.015 10.553 -6.399 1.00 0.00 C ATOM 0 H ALA A 36 3.746 12.295 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 36 3.199 12.517 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.460 10.658 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.040 10.074 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.664 9.941 -7.026 1.00 0.00 H new ATOM 599 N ARG A 37 5.155 13.936 -6.715 1.00 0.00 N ATOM 600 CA ARG A 37 6.346 14.767 -6.767 1.00 0.00 C ATOM 601 C ARG A 37 7.507 14.077 -6.049 1.00 0.00 C ATOM 602 O ARG A 37 7.342 12.992 -5.494 1.00 0.00 O ATOM 603 CB ARG A 37 6.094 16.131 -6.120 1.00 0.00 C ATOM 604 CG ARG A 37 5.721 15.977 -4.644 1.00 0.00 C ATOM 605 CD ARG A 37 4.298 16.475 -4.383 1.00 0.00 C ATOM 606 NE ARG A 37 4.287 17.952 -4.294 1.00 0.00 N ATOM 607 CZ ARG A 37 3.238 18.672 -3.872 1.00 0.00 C ATOM 608 NH1 ARG A 37 2.109 18.055 -3.499 1.00 0.00 N ATOM 609 NH2 ARG A 37 3.319 20.008 -3.824 1.00 0.00 N ATOM 0 H ARG A 37 4.332 14.394 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 37 6.601 14.916 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.986 16.751 -6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.293 16.646 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.803 14.930 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.425 16.536 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.636 16.146 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.917 16.044 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 37 5.131 18.454 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.048 17.038 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.311 18.603 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.179 20.477 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.521 20.556 -3.503 1.00 0.00 H new ATOM 623 N GLU A 38 8.657 14.735 -6.084 1.00 0.00 N ATOM 624 CA GLU A 38 9.846 14.198 -5.444 1.00 0.00 C ATOM 625 C GLU A 38 9.758 14.375 -3.927 1.00 0.00 C ATOM 626 O GLU A 38 10.660 13.966 -3.197 1.00 0.00 O ATOM 627 CB GLU A 38 11.112 14.854 -6.000 1.00 0.00 C ATOM 628 CG GLU A 38 11.193 14.688 -7.519 1.00 0.00 C ATOM 629 CD GLU A 38 11.817 15.923 -8.172 1.00 0.00 C ATOM 630 OE1 GLU A 38 11.412 17.038 -7.780 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.685 15.723 -9.049 1.00 0.00 O ATOM 0 H GLU A 38 8.790 15.635 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 38 9.903 13.132 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.119 15.914 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.991 14.409 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.785 13.806 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.195 14.523 -7.924 1.00 0.00 H new ATOM 638 N ASP A 39 8.662 14.983 -3.497 1.00 0.00 N ATOM 639 CA ASP A 39 8.445 15.219 -2.080 1.00 0.00 C ATOM 640 C ASP A 39 7.047 14.731 -1.695 1.00 0.00 C ATOM 641 O ASP A 39 6.488 15.167 -0.690 1.00 0.00 O ATOM 642 CB ASP A 39 8.532 16.710 -1.750 1.00 0.00 C ATOM 643 CG ASP A 39 9.152 17.037 -0.390 1.00 0.00 C ATOM 644 OD1 ASP A 39 10.330 16.666 -0.200 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.433 17.649 0.429 1.00 0.00 O ATOM 0 H ASP A 39 7.915 15.319 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 39 9.215 14.682 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.115 17.205 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.528 17.134 -1.786 1.00 0.00 H new ATOM 650 N SER A 40 6.522 13.832 -2.514 1.00 0.00 N ATOM 651 CA SER A 40 5.200 13.279 -2.272 1.00 0.00 C ATOM 652 C SER A 40 5.319 11.927 -1.566 1.00 0.00 C ATOM 653 O SER A 40 6.348 11.260 -1.664 1.00 0.00 O ATOM 654 CB SER A 40 4.419 13.128 -3.579 1.00 0.00 C ATOM 655 OG SER A 40 3.301 12.256 -3.435 1.00 0.00 O ATOM 0 H SER A 40 6.988 13.472 -3.347 1.00 0.00 H new ATOM 0 HA SER A 40 4.653 13.970 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.074 14.107 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.081 12.743 -4.355 1.00 0.00 H new ATOM 0 HG SER A 40 2.739 12.310 -4.236 1.00 0.00 H new ATOM 661 N ASP A 41 4.253 11.564 -0.869 1.00 0.00 N ATOM 662 CA ASP A 41 4.225 10.303 -0.147 1.00 0.00 C ATOM 663 C ASP A 41 3.559 9.236 -1.017 1.00 0.00 C ATOM 664 O ASP A 41 3.030 9.542 -2.085 1.00 0.00 O ATOM 665 CB ASP A 41 3.418 10.428 1.148 1.00 0.00 C ATOM 666 CG ASP A 41 2.258 11.424 1.093 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.422 11.272 0.176 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.233 12.315 1.969 1.00 0.00 O ATOM 0 H ASP A 41 3.402 12.121 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 41 5.252 10.029 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.022 9.446 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.093 10.723 1.952 1.00 0.00 H new ATOM 673 N LEU A 42 3.608 8.005 -0.529 1.00 0.00 N ATOM 674 CA LEU A 42 3.017 6.890 -1.250 1.00 0.00 C ATOM 675 C LEU A 42 1.854 6.321 -0.434 1.00 0.00 C ATOM 676 O LEU A 42 2.065 5.728 0.623 1.00 0.00 O ATOM 677 CB LEU A 42 4.085 5.854 -1.604 1.00 0.00 C ATOM 678 CG LEU A 42 3.570 4.475 -2.020 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.689 4.572 -3.267 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.727 3.492 -2.210 1.00 0.00 C ATOM 0 H LEU A 42 4.048 7.755 0.357 1.00 0.00 H new ATOM 0 HA LEU A 42 2.605 7.226 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.694 6.252 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.742 5.730 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 42 2.946 4.086 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.336 3.578 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.834 5.216 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.268 4.991 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.333 2.519 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.396 3.864 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.277 3.392 -1.274 1.00 0.00 H new ATOM 692 N ASP A 43 0.653 6.521 -0.956 1.00 0.00 N ATOM 693 CA ASP A 43 -0.543 6.035 -0.290 1.00 0.00 C ATOM 694 C ASP A 43 -0.878 4.635 -0.809 1.00 0.00 C ATOM 695 O ASP A 43 -1.008 4.431 -2.015 1.00 0.00 O ATOM 696 CB ASP A 43 -1.740 6.944 -0.575 1.00 0.00 C ATOM 697 CG ASP A 43 -1.581 8.390 -0.102 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.435 8.753 0.239 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.609 9.101 -0.094 1.00 0.00 O ATOM 0 H ASP A 43 0.483 7.013 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.349 6.020 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.927 6.947 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.623 6.517 -0.099 1.00 0.00 H new ATOM 704 N LEU A 44 -1.007 3.707 0.127 1.00 0.00 N ATOM 705 CA LEU A 44 -1.324 2.332 -0.221 1.00 0.00 C ATOM 706 C LEU A 44 -2.463 1.834 0.672 1.00 0.00 C ATOM 707 O LEU A 44 -2.375 1.911 1.896 1.00 0.00 O ATOM 708 CB LEU A 44 -0.068 1.460 -0.159 1.00 0.00 C ATOM 709 CG LEU A 44 1.072 1.860 -1.098 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.355 1.098 -0.758 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.668 1.677 -2.562 1.00 0.00 C ATOM 0 H LEU A 44 -0.898 3.880 1.126 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.676 2.271 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.309 1.472 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.352 0.432 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 44 1.278 2.920 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.150 1.401 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.651 1.323 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.179 0.027 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.497 1.969 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.418 0.632 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.199 2.300 -2.781 1.00 0.00 H new ATOM 723 N LEU A 45 -3.505 1.335 0.023 1.00 0.00 N ATOM 724 CA LEU A 45 -4.659 0.825 0.743 1.00 0.00 C ATOM 725 C LEU A 45 -4.582 -0.702 0.806 1.00 0.00 C ATOM 726 O LEU A 45 -4.706 -1.376 -0.216 1.00 0.00 O ATOM 727 CB LEU A 45 -5.954 1.350 0.120 1.00 0.00 C ATOM 728 CG LEU A 45 -7.243 0.657 0.568 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.426 -0.680 -0.153 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.280 0.497 2.089 1.00 0.00 C ATOM 0 H LEU A 45 -3.574 1.273 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.657 1.187 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.038 2.413 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.875 1.261 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.085 1.291 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.349 -1.152 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.477 -0.509 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.582 -1.333 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.206 0.002 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.430 -0.104 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.230 1.479 2.559 1.00 0.00 H new ATOM 742 N VAL A 46 -4.377 -1.203 2.015 1.00 0.00 N ATOM 743 CA VAL A 46 -4.282 -2.638 2.224 1.00 0.00 C ATOM 744 C VAL A 46 -5.170 -3.037 3.404 1.00 0.00 C ATOM 745 O VAL A 46 -5.423 -2.229 4.297 1.00 0.00 O ATOM 746 CB VAL A 46 -2.819 -3.043 2.413 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.188 -3.459 1.082 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.018 -1.917 3.071 1.00 0.00 C ATOM 0 H VAL A 46 -4.274 -0.641 2.860 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.644 -3.177 1.348 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.794 -3.905 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.148 -3.742 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.734 -4.307 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.231 -2.624 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.982 -2.231 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.055 -1.028 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.446 -1.689 4.047 1.00 0.00 H new ATOM 758 N ALA A 47 -5.619 -4.284 3.371 1.00 0.00 N ATOM 759 CA ALA A 47 -6.473 -4.800 4.426 1.00 0.00 C ATOM 760 C ALA A 47 -5.896 -6.118 4.946 1.00 0.00 C ATOM 761 O ALA A 47 -5.741 -7.073 4.187 1.00 0.00 O ATOM 762 CB ALA A 47 -7.900 -4.957 3.897 1.00 0.00 C ATOM 0 H ALA A 47 -5.407 -4.951 2.630 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.510 -4.104 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.541 -5.344 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.275 -3.988 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.902 -5.651 3.056 1.00 0.00 H new ATOM 768 N PHE A 48 -5.592 -6.127 6.235 1.00 0.00 N ATOM 769 CA PHE A 48 -5.035 -7.312 6.865 1.00 0.00 C ATOM 770 C PHE A 48 -6.143 -8.214 7.414 1.00 0.00 C ATOM 771 O PHE A 48 -7.010 -7.756 8.156 1.00 0.00 O ATOM 772 CB PHE A 48 -4.161 -6.833 8.026 1.00 0.00 C ATOM 773 CG PHE A 48 -3.150 -5.752 7.639 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.530 -4.446 7.604 1.00 0.00 C ATOM 775 CD2 PHE A 48 -1.871 -6.097 7.329 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.591 -3.443 7.245 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.933 -5.094 6.970 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.312 -3.788 6.935 1.00 0.00 C ATOM 0 H PHE A 48 -5.721 -5.332 6.861 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.464 -7.887 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.805 -6.448 8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.624 -7.687 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.546 -4.172 7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.569 -7.134 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.892 -2.406 7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.082 -5.368 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.598 -3.025 6.661 1.00 0.00 H new ATOM 788 N GLU A 49 -6.078 -9.479 7.027 1.00 0.00 N ATOM 789 CA GLU A 49 -7.064 -10.449 7.472 1.00 0.00 C ATOM 790 C GLU A 49 -6.506 -11.284 8.626 1.00 0.00 C ATOM 791 O GLU A 49 -5.528 -10.893 9.263 1.00 0.00 O ATOM 792 CB GLU A 49 -7.512 -11.344 6.315 1.00 0.00 C ATOM 793 CG GLU A 49 -6.522 -12.489 6.091 1.00 0.00 C ATOM 794 CD GLU A 49 -7.159 -13.839 6.427 1.00 0.00 C ATOM 795 OE1 GLU A 49 -8.209 -13.818 7.104 1.00 0.00 O ATOM 796 OE2 GLU A 49 -6.582 -14.861 5.998 1.00 0.00 O ATOM 0 H GLU A 49 -5.358 -9.855 6.410 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.940 -9.909 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.501 -11.750 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.599 -10.751 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.189 -12.488 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.638 -12.336 6.710 1.00 0.00 H new ATOM 803 N GLU A 50 -7.150 -12.417 8.861 1.00 0.00 N ATOM 804 CA GLU A 50 -6.730 -13.310 9.927 1.00 0.00 C ATOM 805 C GLU A 50 -6.551 -12.531 11.232 1.00 0.00 C ATOM 806 O GLU A 50 -7.224 -11.526 11.457 1.00 0.00 O ATOM 807 CB GLU A 50 -5.446 -14.050 9.549 1.00 0.00 C ATOM 808 CG GLU A 50 -5.510 -15.516 9.982 1.00 0.00 C ATOM 809 CD GLU A 50 -4.237 -16.263 9.578 1.00 0.00 C ATOM 810 OE1 GLU A 50 -3.250 -16.153 10.336 1.00 0.00 O ATOM 811 OE2 GLU A 50 -4.281 -16.926 8.520 1.00 0.00 O ATOM 0 H GLU A 50 -7.960 -12.738 8.331 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.509 -14.057 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.292 -13.992 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.591 -13.565 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.643 -15.574 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.377 -15.996 9.528 1.00 0.00 H new ATOM 818 N GLY A 51 -5.639 -13.023 12.057 1.00 0.00 N ATOM 819 CA GLY A 51 -5.362 -12.386 13.333 1.00 0.00 C ATOM 820 C GLY A 51 -3.964 -11.762 13.343 1.00 0.00 C ATOM 821 O GLY A 51 -3.008 -12.381 13.805 1.00 0.00 O ATOM 0 H GLY A 51 -5.082 -13.856 11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.109 -11.617 13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.442 -13.120 14.135 1.00 0.00 H new ATOM 825 N ARG A 52 -3.892 -10.544 12.826 1.00 0.00 N ATOM 826 CA ARG A 52 -2.628 -9.830 12.769 1.00 0.00 C ATOM 827 C ARG A 52 -2.636 -8.657 13.752 1.00 0.00 C ATOM 828 O ARG A 52 -3.699 -8.159 14.120 1.00 0.00 O ATOM 829 CB ARG A 52 -2.356 -9.303 11.359 1.00 0.00 C ATOM 830 CG ARG A 52 -3.608 -9.402 10.485 1.00 0.00 C ATOM 831 CD ARG A 52 -4.673 -8.402 10.938 1.00 0.00 C ATOM 832 NE ARG A 52 -6.024 -8.963 10.713 1.00 0.00 N ATOM 833 CZ ARG A 52 -7.157 -8.255 10.807 1.00 0.00 C ATOM 834 NH1 ARG A 52 -7.110 -6.954 11.123 1.00 0.00 N ATOM 835 NH2 ARG A 52 -8.338 -8.848 10.586 1.00 0.00 N ATOM 0 H ARG A 52 -4.688 -10.034 12.443 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.839 -10.531 13.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.027 -8.265 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.545 -9.872 10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.345 -9.212 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.010 -10.414 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.539 -8.169 11.994 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.563 -7.467 10.389 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.097 -9.951 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.211 -6.502 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.973 -6.415 11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.374 -9.839 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.201 -8.309 10.658 1.00 0.00 H new ATOM 849 N THR A 53 -1.439 -8.249 14.147 1.00 0.00 N ATOM 850 CA THR A 53 -1.296 -7.144 15.080 1.00 0.00 C ATOM 851 C THR A 53 -0.640 -5.946 14.390 1.00 0.00 C ATOM 852 O THR A 53 -0.133 -6.067 13.276 1.00 0.00 O ATOM 853 CB THR A 53 -0.513 -7.648 16.294 1.00 0.00 C ATOM 854 OG1 THR A 53 0.480 -8.505 15.736 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.346 -8.574 17.184 1.00 0.00 C ATOM 0 H THR A 53 -0.560 -8.663 13.838 1.00 0.00 H new ATOM 0 HA THR A 53 -2.267 -6.790 15.425 1.00 0.00 H new ATOM 0 HB THR A 53 -0.164 -6.797 16.880 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.035 -8.874 16.455 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.744 -8.903 18.031 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.222 -8.037 17.549 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.666 -9.442 16.607 1.00 0.00 H new ATOM 863 N LEU A 54 -0.672 -4.816 15.081 1.00 0.00 N ATOM 864 CA LEU A 54 -0.087 -3.597 14.548 1.00 0.00 C ATOM 865 C LEU A 54 1.404 -3.823 14.288 1.00 0.00 C ATOM 866 O LEU A 54 1.979 -3.215 13.387 1.00 0.00 O ATOM 867 CB LEU A 54 -0.377 -2.414 15.475 1.00 0.00 C ATOM 868 CG LEU A 54 -1.460 -1.442 15.004 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.986 -0.639 13.791 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.773 -2.177 14.727 1.00 0.00 C ATOM 0 H LEU A 54 -1.094 -4.719 16.005 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.543 -3.342 13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.667 -2.805 16.450 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.548 -1.855 15.618 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.652 -0.730 15.806 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.775 0.044 13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.096 -0.068 14.057 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.749 -1.320 12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.526 -1.463 14.394 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.614 -2.926 13.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.115 -2.666 15.639 1.00 0.00 H new ATOM 882 N LEU A 55 1.986 -4.699 15.093 1.00 0.00 N ATOM 883 CA LEU A 55 3.399 -5.012 14.961 1.00 0.00 C ATOM 884 C LEU A 55 3.685 -5.462 13.527 1.00 0.00 C ATOM 885 O LEU A 55 4.674 -5.043 12.927 1.00 0.00 O ATOM 886 CB LEU A 55 3.823 -6.031 16.021 1.00 0.00 C ATOM 887 CG LEU A 55 4.875 -5.556 17.025 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.137 -5.071 16.309 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.299 -4.488 17.958 1.00 0.00 C ATOM 0 H LEU A 55 1.505 -5.202 15.839 1.00 0.00 H new ATOM 0 HA LEU A 55 4.005 -4.125 15.144 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.936 -6.341 16.574 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.208 -6.915 15.513 1.00 0.00 H new ATOM 0 HG LEU A 55 5.163 -6.405 17.645 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.868 -4.739 17.046 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.558 -5.887 15.722 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.885 -4.241 15.649 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.067 -4.167 18.662 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.966 -3.633 17.370 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.454 -4.902 18.507 1.00 0.00 H new ATOM 901 N ASP A 56 2.802 -6.310 13.019 1.00 0.00 N ATOM 902 CA ASP A 56 2.948 -6.821 11.667 1.00 0.00 C ATOM 903 C ASP A 56 2.689 -5.690 10.669 1.00 0.00 C ATOM 904 O ASP A 56 3.357 -5.602 9.639 1.00 0.00 O ATOM 905 CB ASP A 56 1.939 -7.937 11.388 1.00 0.00 C ATOM 906 CG ASP A 56 2.336 -9.315 11.921 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.242 -9.351 12.781 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.724 -10.301 11.456 1.00 0.00 O ATOM 0 H ASP A 56 1.983 -6.656 13.520 1.00 0.00 H new ATOM 0 HA ASP A 56 3.959 -7.214 11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.980 -7.657 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.789 -8.010 10.311 1.00 0.00 H new ATOM 913 N HIS A 57 1.719 -4.854 11.008 1.00 0.00 N ATOM 914 CA HIS A 57 1.365 -3.733 10.154 1.00 0.00 C ATOM 915 C HIS A 57 2.550 -2.771 10.051 1.00 0.00 C ATOM 916 O HIS A 57 2.897 -2.323 8.960 1.00 0.00 O ATOM 917 CB HIS A 57 0.090 -3.051 10.655 1.00 0.00 C ATOM 918 CG HIS A 57 -1.138 -3.928 10.598 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.424 -3.423 10.679 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.263 -5.280 10.468 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.276 -4.434 10.600 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.555 -5.584 10.470 1.00 0.00 N ATOM 0 H HIS A 57 1.167 -4.930 11.862 1.00 0.00 H new ATOM 0 HA HIS A 57 1.146 -4.092 9.149 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.244 -2.726 11.684 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.088 -2.155 10.061 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.673 -2.439 10.782 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.449 -5.984 10.379 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.353 -4.360 10.633 1.00 0.00 H new ATOM 930 N ALA A 58 3.139 -2.483 11.203 1.00 0.00 N ATOM 931 CA ALA A 58 4.278 -1.583 11.256 1.00 0.00 C ATOM 932 C ALA A 58 5.471 -2.234 10.553 1.00 0.00 C ATOM 933 O ALA A 58 6.250 -1.554 9.886 1.00 0.00 O ATOM 934 CB ALA A 58 4.583 -1.230 12.714 1.00 0.00 C ATOM 0 H ALA A 58 2.848 -2.857 12.106 1.00 0.00 H new ATOM 0 HA ALA A 58 4.055 -0.652 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.438 -0.555 12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.715 -0.744 13.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.814 -2.140 13.268 1.00 0.00 H new ATOM 940 N ARG A 59 5.576 -3.543 10.725 1.00 0.00 N ATOM 941 CA ARG A 59 6.660 -4.294 10.115 1.00 0.00 C ATOM 942 C ARG A 59 6.479 -4.350 8.597 1.00 0.00 C ATOM 943 O ARG A 59 7.456 -4.345 7.851 1.00 0.00 O ATOM 944 CB ARG A 59 6.722 -5.719 10.668 1.00 0.00 C ATOM 945 CG ARG A 59 7.751 -5.826 11.795 1.00 0.00 C ATOM 946 CD ARG A 59 8.572 -7.111 11.668 1.00 0.00 C ATOM 947 NE ARG A 59 9.320 -7.360 12.921 1.00 0.00 N ATOM 948 CZ ARG A 59 9.817 -8.553 13.275 1.00 0.00 C ATOM 949 NH1 ARG A 59 9.648 -9.613 12.474 1.00 0.00 N ATOM 950 NH2 ARG A 59 10.482 -8.685 14.431 1.00 0.00 N ATOM 0 H ARG A 59 4.928 -4.103 11.278 1.00 0.00 H new ATOM 0 HA ARG A 59 7.593 -3.783 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.740 -6.012 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.981 -6.412 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.415 -4.962 11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.243 -5.809 12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.914 -7.953 11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.265 -7.028 10.831 1.00 0.00 H new ATOM 0 HE ARG A 59 9.466 -6.574 13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.141 -9.512 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.026 -10.521 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.610 -7.878 15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.860 -9.593 14.701 1.00 0.00 H new ATOM 964 N LEU A 60 5.220 -4.403 8.185 1.00 0.00 N ATOM 965 CA LEU A 60 4.898 -4.460 6.770 1.00 0.00 C ATOM 966 C LEU A 60 5.417 -3.196 6.081 1.00 0.00 C ATOM 967 O LEU A 60 6.090 -3.276 5.054 1.00 0.00 O ATOM 968 CB LEU A 60 3.400 -4.697 6.571 1.00 0.00 C ATOM 969 CG LEU A 60 3.011 -5.562 5.369 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.732 -5.043 4.711 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.168 -5.667 4.373 1.00 0.00 C ATOM 0 H LEU A 60 4.412 -4.408 8.807 1.00 0.00 H new ATOM 0 HA LEU A 60 5.397 -5.307 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.003 -5.164 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.909 -3.729 6.471 1.00 0.00 H new ATOM 0 HG LEU A 60 2.801 -6.570 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.478 -5.675 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.917 -5.063 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.888 -4.020 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.866 -6.287 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.433 -4.672 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.031 -6.118 4.864 1.00 0.00 H new ATOM 983 N LYS A 61 5.086 -2.059 6.675 1.00 0.00 N ATOM 984 CA LYS A 61 5.511 -0.780 6.132 1.00 0.00 C ATOM 985 C LYS A 61 7.037 -0.752 6.039 1.00 0.00 C ATOM 986 O LYS A 61 7.594 -0.311 5.034 1.00 0.00 O ATOM 987 CB LYS A 61 4.923 0.371 6.950 1.00 0.00 C ATOM 988 CG LYS A 61 5.497 1.715 6.497 1.00 0.00 C ATOM 989 CD LYS A 61 6.941 1.884 6.975 1.00 0.00 C ATOM 990 CE LYS A 61 7.223 3.336 7.364 1.00 0.00 C ATOM 991 NZ LYS A 61 6.490 3.694 8.599 1.00 0.00 N ATOM 0 H LYS A 61 4.528 -1.997 7.527 1.00 0.00 H new ATOM 0 HA LYS A 61 5.128 -0.649 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.838 0.380 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.138 0.217 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.460 1.782 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.883 2.527 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.123 1.233 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.627 1.575 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.293 3.477 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.926 4.000 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.971 4.486 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.518 3.975 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.464 2.874 9.238 1.00 0.00 H new ATOM 1005 N LEU A 62 7.672 -1.228 7.100 1.00 0.00 N ATOM 1006 CA LEU A 62 9.123 -1.263 7.151 1.00 0.00 C ATOM 1007 C LEU A 62 9.647 -2.159 6.027 1.00 0.00 C ATOM 1008 O LEU A 62 10.685 -1.871 5.431 1.00 0.00 O ATOM 1009 CB LEU A 62 9.601 -1.681 8.543 1.00 0.00 C ATOM 1010 CG LEU A 62 10.344 -3.016 8.625 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.806 -2.857 8.203 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.213 -3.631 10.019 1.00 0.00 C ATOM 0 H LEU A 62 7.207 -1.593 7.932 1.00 0.00 H new ATOM 0 HA LEU A 62 9.534 -0.267 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.255 -0.900 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.735 -1.729 9.203 1.00 0.00 H new ATOM 0 HG LEU A 62 9.880 -3.709 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.311 -3.821 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.851 -2.495 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.299 -2.142 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.750 -4.579 10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.635 -2.950 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.160 -3.803 10.243 1.00 0.00 H new ATOM 1024 N ALA A 63 8.906 -3.227 5.770 1.00 0.00 N ATOM 1025 CA ALA A 63 9.283 -4.166 4.728 1.00 0.00 C ATOM 1026 C ALA A 63 9.019 -3.536 3.359 1.00 0.00 C ATOM 1027 O ALA A 63 9.780 -3.749 2.416 1.00 0.00 O ATOM 1028 CB ALA A 63 8.521 -5.478 4.923 1.00 0.00 C ATOM 0 H ALA A 63 8.046 -3.463 6.266 1.00 0.00 H new ATOM 0 HA ALA A 63 10.347 -4.395 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.804 -6.183 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.766 -5.900 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.449 -5.288 4.869 1.00 0.00 H new ATOM 1034 N LEU A 64 7.938 -2.773 3.293 1.00 0.00 N ATOM 1035 CA LEU A 64 7.563 -2.110 2.056 1.00 0.00 C ATOM 1036 C LEU A 64 8.551 -0.977 1.770 1.00 0.00 C ATOM 1037 O LEU A 64 8.999 -0.809 0.637 1.00 0.00 O ATOM 1038 CB LEU A 64 6.104 -1.655 2.112 1.00 0.00 C ATOM 1039 CG LEU A 64 5.068 -2.753 2.357 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.804 -2.510 1.530 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.664 -4.138 2.097 1.00 0.00 C ATOM 0 H LEU A 64 7.309 -2.599 4.077 1.00 0.00 H new ATOM 0 HA LEU A 64 7.623 -2.805 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.007 -0.909 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.863 -1.159 1.172 1.00 0.00 H new ATOM 0 HG LEU A 64 4.778 -2.719 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.084 -3.305 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.367 -1.550 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.059 -2.501 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.906 -4.900 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.001 -4.201 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.510 -4.301 2.765 1.00 0.00 H new ATOM 1053 N GLU A 65 8.861 -0.227 2.818 1.00 0.00 N ATOM 1054 CA GLU A 65 9.787 0.886 2.694 1.00 0.00 C ATOM 1055 C GLU A 65 11.185 0.376 2.338 1.00 0.00 C ATOM 1056 O GLU A 65 11.961 1.080 1.694 1.00 0.00 O ATOM 1057 CB GLU A 65 9.817 1.719 3.977 1.00 0.00 C ATOM 1058 CG GLU A 65 8.712 2.777 3.970 1.00 0.00 C ATOM 1059 CD GLU A 65 9.018 3.896 4.968 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.039 3.761 5.677 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.224 4.860 5.001 1.00 0.00 O ATOM 0 H GLU A 65 8.487 -0.368 3.756 1.00 0.00 H new ATOM 0 HA GLU A 65 9.442 1.533 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.695 1.066 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.788 2.203 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.611 3.196 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.758 2.313 4.220 1.00 0.00 H new ATOM 1068 N GLY A 66 11.463 -0.844 2.773 1.00 0.00 N ATOM 1069 CA GLY A 66 12.754 -1.456 2.508 1.00 0.00 C ATOM 1070 C GLY A 66 12.874 -1.868 1.039 1.00 0.00 C ATOM 1071 O GLY A 66 13.870 -1.563 0.384 1.00 0.00 O ATOM 0 H GLY A 66 10.817 -1.425 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.551 -0.756 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.884 -2.330 3.146 1.00 0.00 H new ATOM 1075 N LEU A 67 11.846 -2.556 0.565 1.00 0.00 N ATOM 1076 CA LEU A 67 11.824 -3.013 -0.815 1.00 0.00 C ATOM 1077 C LEU A 67 11.827 -1.802 -1.749 1.00 0.00 C ATOM 1078 O LEU A 67 12.577 -1.767 -2.724 1.00 0.00 O ATOM 1079 CB LEU A 67 10.648 -3.964 -1.045 1.00 0.00 C ATOM 1080 CG LEU A 67 11.012 -5.400 -1.430 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.606 -6.154 -0.239 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.807 -6.129 -2.027 1.00 0.00 C ATOM 0 H LEU A 67 11.022 -2.808 1.111 1.00 0.00 H new ATOM 0 HA LEU A 67 12.721 -3.591 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.047 -3.994 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.017 -3.547 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 67 11.781 -5.362 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.856 -7.171 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.508 -5.645 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.879 -6.184 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.092 -7.147 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.000 -6.157 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.469 -5.603 -2.920 1.00 0.00 H new ATOM 1094 N LEU A 68 10.981 -0.837 -1.419 1.00 0.00 N ATOM 1095 CA LEU A 68 10.876 0.373 -2.216 1.00 0.00 C ATOM 1096 C LEU A 68 11.989 1.342 -1.813 1.00 0.00 C ATOM 1097 O LEU A 68 12.270 2.303 -2.527 1.00 0.00 O ATOM 1098 CB LEU A 68 9.472 0.968 -2.105 1.00 0.00 C ATOM 1099 CG LEU A 68 8.311 -0.008 -2.307 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.247 0.173 -1.222 1.00 0.00 C ATOM 1101 CD2 LEU A 68 7.723 0.123 -3.713 1.00 0.00 C ATOM 0 H LEU A 68 10.361 -0.869 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 68 11.017 0.146 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.369 1.425 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.379 1.769 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 68 8.698 -1.023 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.433 -0.533 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.691 -0.010 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.858 1.191 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.900 -0.582 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.355 1.138 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.494 -0.094 -4.452 1.00 0.00 H new ATOM 1113 N GLY A 69 12.594 1.055 -0.669 1.00 0.00 N ATOM 1114 CA GLY A 69 13.670 1.890 -0.162 1.00 0.00 C ATOM 1115 C GLY A 69 13.276 3.368 -0.187 1.00 0.00 C ATOM 1116 O GLY A 69 14.138 4.244 -0.162 1.00 0.00 O ATOM 0 H GLY A 69 12.360 0.256 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.916 1.593 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.566 1.739 -0.763 1.00 0.00 H new ATOM 1120 N VAL A 70 11.972 3.599 -0.235 1.00 0.00 N ATOM 1121 CA VAL A 70 11.453 4.956 -0.263 1.00 0.00 C ATOM 1122 C VAL A 70 10.262 5.062 0.690 1.00 0.00 C ATOM 1123 O VAL A 70 9.633 4.057 1.018 1.00 0.00 O ATOM 1124 CB VAL A 70 11.106 5.354 -1.700 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.314 5.182 -2.623 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.905 4.558 -2.214 1.00 0.00 C ATOM 0 H VAL A 70 11.260 2.869 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 70 12.209 5.661 0.082 1.00 0.00 H new ATOM 0 HB VAL A 70 10.833 6.409 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.041 5.471 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.132 5.812 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.632 4.139 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.679 4.860 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.138 3.493 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.041 4.753 -1.579 1.00 0.00 H new ATOM 1136 N ARG A 71 9.987 6.289 1.109 1.00 0.00 N ATOM 1137 CA ARG A 71 8.882 6.539 2.019 1.00 0.00 C ATOM 1138 C ARG A 71 7.602 5.889 1.490 1.00 0.00 C ATOM 1139 O ARG A 71 7.225 6.098 0.338 1.00 0.00 O ATOM 1140 CB ARG A 71 8.647 8.040 2.200 1.00 0.00 C ATOM 1141 CG ARG A 71 9.882 8.721 2.793 1.00 0.00 C ATOM 1142 CD ARG A 71 10.670 9.465 1.713 1.00 0.00 C ATOM 1143 NE ARG A 71 10.883 10.872 2.120 1.00 0.00 N ATOM 1144 CZ ARG A 71 11.688 11.250 3.122 1.00 0.00 C ATOM 1145 NH1 ARG A 71 12.361 10.329 3.825 1.00 0.00 N ATOM 1146 NH2 ARG A 71 11.820 12.549 3.421 1.00 0.00 N ATOM 0 H ARG A 71 10.510 7.120 0.835 1.00 0.00 H new ATOM 0 HA ARG A 71 9.142 6.105 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.405 8.492 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.790 8.201 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.577 9.420 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.521 7.975 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.630 8.976 1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.129 9.429 0.767 1.00 0.00 H new ATOM 0 HE ARG A 71 10.386 11.599 1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.261 9.340 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.974 10.617 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.308 13.250 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.433 12.837 4.184 1.00 0.00 H new ATOM 1160 N VAL A 72 6.967 5.115 2.358 1.00 0.00 N ATOM 1161 CA VAL A 72 5.737 4.433 1.993 1.00 0.00 C ATOM 1162 C VAL A 72 4.707 4.617 3.109 1.00 0.00 C ATOM 1163 O VAL A 72 5.047 4.554 4.289 1.00 0.00 O ATOM 1164 CB VAL A 72 6.025 2.963 1.682 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.730 2.197 1.405 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.001 2.832 0.511 1.00 0.00 C ATOM 0 H VAL A 72 7.281 4.945 3.313 1.00 0.00 H new ATOM 0 HA VAL A 72 5.315 4.866 1.086 1.00 0.00 H new ATOM 0 HB VAL A 72 6.494 2.520 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.963 1.155 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.083 2.248 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.220 2.641 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.189 1.777 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.571 3.299 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.939 3.326 0.762 1.00 0.00 H new ATOM 1176 N ASP A 73 3.468 4.841 2.696 1.00 0.00 N ATOM 1177 CA ASP A 73 2.386 5.034 3.646 1.00 0.00 C ATOM 1178 C ASP A 73 1.316 3.963 3.420 1.00 0.00 C ATOM 1179 O ASP A 73 0.615 3.986 2.409 1.00 0.00 O ATOM 1180 CB ASP A 73 1.730 6.404 3.463 1.00 0.00 C ATOM 1181 CG ASP A 73 0.740 6.799 4.561 1.00 0.00 C ATOM 1182 OD1 ASP A 73 1.098 6.608 5.743 1.00 0.00 O ATOM 1183 OD2 ASP A 73 -0.352 7.284 4.193 1.00 0.00 O ATOM 0 H ASP A 73 3.190 4.893 1.716 1.00 0.00 H new ATOM 0 HA ASP A 73 2.804 4.965 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.513 7.161 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.211 6.416 2.505 1.00 0.00 H new ATOM 1188 N ILE A 74 1.225 3.052 4.377 1.00 0.00 N ATOM 1189 CA ILE A 74 0.253 1.975 4.294 1.00 0.00 C ATOM 1190 C ILE A 74 -1.023 2.388 5.030 1.00 0.00 C ATOM 1191 O ILE A 74 -0.963 3.082 6.043 1.00 0.00 O ATOM 1192 CB ILE A 74 0.859 0.666 4.803 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.975 0.181 3.875 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.222 -0.398 5.004 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.681 -1.044 4.460 1.00 0.00 C ATOM 0 H ILE A 74 1.808 3.037 5.214 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.022 1.790 3.256 1.00 0.00 H new ATOM 0 HB ILE A 74 1.309 0.855 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.559 -0.067 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.698 0.982 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.236 -1.318 5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.950 -0.044 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.723 -0.591 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.469 -1.368 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.117 -0.786 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.960 -1.851 4.591 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.149 1.944 4.491 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.438 2.259 5.083 1.00 0.00 C ATOM 1209 C VAL A 75 -4.208 0.962 5.337 1.00 0.00 C ATOM 1210 O VAL A 75 -4.131 0.024 4.545 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.199 3.241 4.189 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.711 3.053 4.331 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.795 4.685 4.494 1.00 0.00 C ATOM 0 H VAL A 75 -2.195 1.368 3.650 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.306 2.753 6.046 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.931 3.029 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.228 3.763 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.980 2.037 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.003 3.225 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.350 5.363 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.020 4.914 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.726 4.809 4.319 1.00 0.00 H new ATOM 1223 N SER A 76 -4.934 0.950 6.446 1.00 0.00 N ATOM 1224 CA SER A 76 -5.718 -0.217 6.814 1.00 0.00 C ATOM 1225 C SER A 76 -7.207 0.068 6.610 1.00 0.00 C ATOM 1226 O SER A 76 -7.754 0.992 7.209 1.00 0.00 O ATOM 1227 CB SER A 76 -5.449 -0.625 8.264 1.00 0.00 C ATOM 1228 OG SER A 76 -5.378 0.503 9.132 1.00 0.00 O ATOM 0 H SER A 76 -4.996 1.729 7.101 1.00 0.00 H new ATOM 0 HA SER A 76 -5.422 -1.046 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.238 -1.295 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.514 -1.182 8.316 1.00 0.00 H new ATOM 0 HG SER A 76 -6.088 1.138 8.902 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.821 -0.745 5.763 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.237 -0.592 5.472 1.00 0.00 C ATOM 1236 C GLU A 77 -10.016 -0.317 6.759 1.00 0.00 C ATOM 1237 O GLU A 77 -10.988 0.437 6.752 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.785 -1.826 4.752 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.520 -1.746 3.248 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.219 -2.888 2.506 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.395 -3.147 2.842 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.561 -3.476 1.621 1.00 0.00 O ATOM 0 H GLU A 77 -7.364 -1.512 5.269 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.361 0.262 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.322 -2.725 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.857 -1.910 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.872 -0.789 2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.447 -1.789 3.061 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.561 -0.943 7.835 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.204 -0.775 9.127 1.00 0.00 C ATOM 1251 C ARG A 78 -10.243 0.705 9.512 1.00 0.00 C ATOM 1252 O ARG A 78 -11.253 1.193 10.015 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.466 -1.559 10.215 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.422 -2.490 10.963 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.332 -2.269 12.474 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.609 -1.718 12.981 1.00 0.00 N ATOM 1257 CZ ARG A 78 -11.919 -0.414 12.975 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.047 0.479 12.487 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -13.100 -0.004 13.456 1.00 0.00 N ATOM 0 H ARG A 78 -8.754 -1.567 7.838 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.221 -1.159 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.662 -2.142 9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.004 -0.866 10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.444 -2.315 10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.183 -3.527 10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.108 -3.211 12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.515 -1.585 12.702 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.296 -2.371 13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.148 0.166 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.282 1.471 12.482 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.763 -0.684 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.336 0.988 13.451 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.129 1.379 9.261 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.024 2.793 9.575 1.00 0.00 C ATOM 1275 C GLY A 79 -9.807 3.638 8.568 1.00 0.00 C ATOM 1276 O GLY A 79 -10.417 4.641 8.935 1.00 0.00 O ATOM 0 H GLY A 79 -8.292 0.971 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.403 2.975 10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.976 3.093 9.570 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.764 3.202 7.317 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.462 3.906 6.255 1.00 0.00 C ATOM 1282 C LEU A 80 -11.958 3.949 6.575 1.00 0.00 C ATOM 1283 O LEU A 80 -12.520 2.971 7.065 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.141 3.279 4.897 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.780 3.637 4.298 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.907 3.984 2.813 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -8.109 4.759 5.093 1.00 0.00 C ATOM 0 H LEU A 80 -9.257 2.370 7.016 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.120 4.939 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.198 2.195 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.916 3.575 4.190 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.135 2.761 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.925 4.235 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.312 3.128 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.575 4.837 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.143 4.994 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.742 5.646 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.963 4.437 6.124 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.560 5.093 6.284 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.979 5.276 6.534 1.00 0.00 C ATOM 1301 C ALA A 81 -14.782 4.489 5.496 1.00 0.00 C ATOM 1302 O ALA A 81 -14.219 3.979 4.528 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.312 6.769 6.518 1.00 0.00 C ATOM 0 H ALA A 81 -12.091 5.902 5.877 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.247 4.892 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.377 6.906 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.738 7.278 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -14.058 7.188 5.544 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.118 4.413 5.739 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.003 3.696 4.837 1.00 0.00 C ATOM 1311 C PRO A 82 -17.246 4.498 3.557 1.00 0.00 C ATOM 1312 O PRO A 82 -17.234 3.941 2.460 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.272 3.457 5.638 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.230 4.447 6.791 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.818 5.004 6.875 1.00 0.00 C ATOM 0 HA PRO A 82 -16.580 2.751 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.158 3.612 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.315 2.432 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.949 5.251 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.503 3.957 7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.818 6.092 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.341 4.734 7.818 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.462 5.792 3.739 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.708 6.676 2.612 1.00 0.00 C ATOM 1325 C ARG A 83 -16.398 6.986 1.884 1.00 0.00 C ATOM 1326 O ARG A 83 -16.404 7.303 0.696 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.351 7.986 3.070 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.573 8.601 4.235 1.00 0.00 C ATOM 1329 CD ARG A 83 -18.438 8.671 5.495 1.00 0.00 C ATOM 1330 NE ARG A 83 -19.118 9.983 5.571 1.00 0.00 N ATOM 1331 CZ ARG A 83 -19.897 10.368 6.591 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -20.101 9.542 7.627 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -20.473 11.577 6.575 1.00 0.00 N ATOM 0 H ARG A 83 -17.472 6.250 4.650 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.392 6.166 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.383 8.690 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.382 7.803 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.681 8.008 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -17.237 9.602 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.177 7.870 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.819 8.521 6.380 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.985 10.635 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.663 8.621 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.694 9.835 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.319 12.205 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.066 11.870 7.352 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.306 6.883 2.628 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.992 7.148 2.069 1.00 0.00 C ATOM 1349 C LEU A 84 -13.489 5.898 1.345 1.00 0.00 C ATOM 1350 O LEU A 84 -12.823 5.998 0.316 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.040 7.655 3.154 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.811 9.167 3.193 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -13.641 9.819 4.300 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.322 9.492 3.326 1.00 0.00 C ATOM 0 H LEU A 84 -15.305 6.620 3.613 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.047 7.946 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.426 7.341 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.076 7.165 3.021 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.150 9.589 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.459 10.894 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.699 9.631 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.356 9.398 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.186 10.573 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.935 9.056 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.782 9.079 2.474 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.827 4.749 1.910 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.418 3.480 1.331 1.00 0.00 C ATOM 1368 C ARG A 85 -13.832 3.410 -0.140 1.00 0.00 C ATOM 1369 O ARG A 85 -13.018 3.087 -1.003 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.041 2.304 2.086 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.574 0.969 1.502 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.603 -0.133 1.762 1.00 0.00 C ATOM 1373 NE ARG A 85 -13.958 -1.278 2.442 1.00 0.00 N ATOM 1374 CZ ARG A 85 -14.511 -2.493 2.555 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -15.722 -2.730 2.034 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -13.852 -3.473 3.189 1.00 0.00 N ATOM 0 H ARG A 85 -14.380 4.670 2.763 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.333 3.414 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.769 2.359 3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.128 2.368 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.412 1.074 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.617 0.690 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.416 0.255 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.044 -0.460 0.820 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.035 -1.133 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.224 -1.985 1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.142 -3.655 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.929 -3.294 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.273 -4.398 3.275 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.098 3.719 -0.381 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.630 3.695 -1.732 1.00 0.00 C ATOM 1392 C GLU A 86 -14.800 4.599 -2.646 1.00 0.00 C ATOM 1393 O GLU A 86 -14.514 4.240 -3.787 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.104 4.104 -1.749 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.938 3.189 -0.849 1.00 0.00 C ATOM 1396 CD GLU A 86 -18.356 1.920 -1.595 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.303 2.024 -2.404 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -17.719 0.876 -1.340 1.00 0.00 O ATOM 0 H GLU A 86 -15.771 3.987 0.337 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.566 2.674 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.202 5.137 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.485 4.062 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.362 2.921 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.825 3.721 -0.504 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.435 5.754 -2.109 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.644 6.712 -2.861 1.00 0.00 C ATOM 1407 C GLN A 87 -12.209 6.205 -3.022 1.00 0.00 C ATOM 1408 O GLN A 87 -11.588 6.407 -4.064 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.667 8.088 -2.193 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.054 9.152 -3.106 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.371 10.560 -2.598 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.512 10.990 -2.557 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.302 11.251 -2.214 1.00 0.00 N ATOM 0 H GLN A 87 -14.673 6.048 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.085 6.819 -3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.694 8.361 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.116 8.049 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.974 9.014 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.438 9.032 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.374 10.831 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.409 12.201 -1.859 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.723 5.557 -1.973 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.373 5.020 -1.984 1.00 0.00 C ATOM 1424 C VAL A 88 -10.276 3.920 -3.043 1.00 0.00 C ATOM 1425 O VAL A 88 -9.358 3.920 -3.861 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.990 4.538 -0.584 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.540 4.053 -0.549 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.227 5.634 0.457 1.00 0.00 C ATOM 0 H VAL A 88 -12.240 5.392 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.655 5.795 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.632 3.693 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.293 3.716 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.416 3.227 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.876 4.870 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.947 5.265 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.622 6.507 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.281 5.912 0.459 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.235 3.007 -2.992 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.269 1.903 -3.936 1.00 0.00 C ATOM 1440 C LEU A 89 -11.331 2.458 -5.360 1.00 0.00 C ATOM 1441 O LEU A 89 -10.667 1.945 -6.260 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.413 0.945 -3.599 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.442 0.412 -2.165 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -13.873 0.096 -1.726 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.514 -0.795 -2.010 1.00 0.00 C ATOM 0 H LEU A 89 -11.995 3.009 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.357 1.311 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.357 1.454 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.362 0.096 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.068 1.193 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.865 -0.281 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.477 1.002 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.298 -0.659 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.553 -1.154 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.834 -1.589 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.493 -0.502 -2.253 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.135 3.499 -5.522 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.292 4.129 -6.822 1.00 0.00 C ATOM 1459 C ARG A 90 -10.926 4.515 -7.393 1.00 0.00 C ATOM 1460 O ARG A 90 -10.757 4.591 -8.609 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.168 5.379 -6.725 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.540 5.137 -7.358 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.637 5.876 -6.588 1.00 0.00 C ATOM 1464 NE ARG A 90 -15.513 7.335 -6.806 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.319 8.249 -6.248 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.311 7.861 -5.435 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -16.132 9.551 -6.503 1.00 0.00 N ATOM 0 H ARG A 90 -12.685 3.922 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.776 3.410 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.291 5.661 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.675 6.213 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.530 5.472 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.756 4.069 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.618 5.533 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.561 5.651 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.768 7.665 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.453 6.870 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.924 8.557 -5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.377 9.846 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.745 10.247 -6.079 1.00 0.00 H new ATOM 1481 N GLU A 91 -9.986 4.747 -6.489 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.640 5.123 -6.888 1.00 0.00 C ATOM 1483 C GLU A 91 -7.697 3.924 -6.768 1.00 0.00 C ATOM 1484 O GLU A 91 -6.802 3.750 -7.593 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.133 6.305 -6.060 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.087 7.497 -6.163 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.612 8.490 -7.225 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.662 8.113 -8.416 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.210 9.602 -6.822 1.00 0.00 O ATOM 0 H GLU A 91 -10.130 4.682 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.665 5.438 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.031 6.006 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.142 6.597 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.088 7.145 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.155 7.997 -5.197 1.00 0.00 H new ATOM 1496 N ALA A 92 -7.930 3.130 -5.734 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.112 1.952 -5.496 1.00 0.00 C ATOM 1498 C ALA A 92 -7.160 1.045 -6.727 1.00 0.00 C ATOM 1499 O ALA A 92 -8.229 0.814 -7.290 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.596 1.243 -4.229 1.00 0.00 C ATOM 0 H ALA A 92 -8.673 3.279 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.071 2.233 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.983 0.360 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.514 1.920 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.636 0.943 -4.355 1.00 0.00 H new ATOM 1506 N ILE A 93 -5.990 0.556 -7.108 1.00 0.00 N ATOM 1507 CA ILE A 93 -5.885 -0.320 -8.262 1.00 0.00 C ATOM 1508 C ILE A 93 -5.157 -1.604 -7.858 1.00 0.00 C ATOM 1509 O ILE A 93 -4.113 -1.552 -7.209 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.232 0.414 -9.435 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -3.827 0.895 -9.067 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.119 1.559 -9.928 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.066 1.367 -10.308 1.00 0.00 C ATOM 0 H ILE A 93 -5.106 0.750 -6.638 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.876 -0.611 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.126 -0.289 -10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.895 1.710 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.277 0.087 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.631 2.064 -10.762 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.079 1.160 -10.256 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.280 2.270 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.071 1.704 -10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.979 0.543 -11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.606 2.191 -10.774 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.752 -2.756 -8.268 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.171 -4.051 -7.956 1.00 0.00 C ATOM 1527 C PRO A 94 -3.948 -4.329 -8.832 1.00 0.00 C ATOM 1528 O PRO A 94 -4.030 -4.264 -10.058 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.297 -5.049 -8.172 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.323 -4.338 -9.040 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.988 -2.856 -9.039 1.00 0.00 C ATOM 0 HA PRO A 94 -4.796 -4.109 -6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.930 -5.952 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.735 -5.356 -7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.303 -4.733 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.329 -4.502 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.854 -2.480 -10.053 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.787 -2.270 -8.585 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.842 -4.634 -8.169 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.604 -4.922 -8.872 1.00 0.00 C ATOM 1541 C LEU A 95 -1.542 -6.416 -9.195 1.00 0.00 C ATOM 1542 O LEU A 95 -1.353 -6.799 -10.349 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.402 -4.416 -8.071 1.00 0.00 C ATOM 1544 CG LEU A 95 0.974 -4.848 -8.581 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.799 -3.638 -9.025 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.707 -5.689 -7.535 1.00 0.00 C ATOM 0 H LEU A 95 -2.778 -4.688 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.572 -4.388 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.435 -3.327 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.508 -4.755 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 95 0.831 -5.479 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.773 -3.973 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.277 -3.116 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.936 -2.962 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.682 -5.983 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.840 -5.103 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.122 -6.581 -7.310 1.00 0.00 H new TER 1558 LEU A 95