USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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 35 HIS : no HE2:sc= -0.881 X(o=-0.84,f=-0.74) USER MOD Set 1.2: A 73 THR OG1 : rot 152:sc= 0.0441 USER MOD Set 2.1: A 36 MET CE :methyl -161:sc= -9.45! (180deg=-12.3!) USER MOD Set 2.2: A 57 TYR OH : rot -7:sc= -1.06 USER MOD Set 3.1: A 21 SER OG : rot 180:sc= -1.25 USER MOD Set 3.2: A 52 MET CE :methyl -167:sc= -1.82 (180deg=-2.12) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0313 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 13:sc= 0.595 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 14 SER OG : rot 162:sc= 0.422 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 30 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -7:sc= 0.228 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 48 GLN : amide:sc=-0.00401 X(o=-0.004,f=-0.05) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 156:sc= -3.71 (180deg=-6.27!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 164:sc= -0.901 (180deg=-2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -141:sc= 1.17 (180deg=0.856) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -70:sc= -0.0378 USER MOD Single : A 78 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.0022) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 11:sc= 0.366 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.670 1.029 -11.628 1.00 0.00 N ATOM 2 CA GLY A 1 15.722 1.618 -10.817 1.00 0.00 C ATOM 3 C GLY A 1 15.136 2.470 -9.690 1.00 0.00 C ATOM 4 O GLY A 1 14.068 2.160 -9.165 1.00 0.00 O ATOM 0 H1 GLY A 1 14.834 0.006 -11.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.749 1.192 -11.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.673 1.466 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.345 0.829 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.368 2.233 -11.444 1.00 0.00 H new ATOM 8 N SER A 2 15.860 3.527 -9.353 1.00 0.00 N ATOM 9 CA SER A 2 15.424 4.426 -8.298 1.00 0.00 C ATOM 10 C SER A 2 15.227 3.648 -6.995 1.00 0.00 C ATOM 11 O SER A 2 14.294 2.855 -6.877 1.00 0.00 O ATOM 12 CB SER A 2 14.132 5.147 -8.687 1.00 0.00 C ATOM 13 OG SER A 2 14.350 6.125 -9.700 1.00 0.00 O ATOM 0 H SER A 2 16.745 3.781 -9.792 1.00 0.00 H new ATOM 0 HA SER A 2 16.198 5.180 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.402 4.418 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.705 5.627 -7.806 1.00 0.00 H new ATOM 0 HG SER A 2 13.501 6.561 -9.921 1.00 0.00 H new ATOM 19 N SER A 3 16.120 3.902 -6.050 1.00 0.00 N ATOM 20 CA SER A 3 16.056 3.235 -4.761 1.00 0.00 C ATOM 21 C SER A 3 15.747 4.252 -3.661 1.00 0.00 C ATOM 22 O SER A 3 16.653 4.900 -3.138 1.00 0.00 O ATOM 23 CB SER A 3 17.363 2.501 -4.454 1.00 0.00 C ATOM 24 OG SER A 3 17.221 1.591 -3.367 1.00 0.00 O ATOM 0 H SER A 3 16.892 4.561 -6.151 1.00 0.00 H new ATOM 0 HA SER A 3 15.256 2.495 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.691 1.958 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.141 3.228 -4.219 1.00 0.00 H new ATOM 0 HG SER A 3 18.076 1.141 -3.203 1.00 0.00 H new ATOM 30 N GLY A 4 14.466 4.361 -3.341 1.00 0.00 N ATOM 31 CA GLY A 4 14.027 5.289 -2.313 1.00 0.00 C ATOM 32 C GLY A 4 12.521 5.540 -2.408 1.00 0.00 C ATOM 33 O GLY A 4 11.746 4.611 -2.630 1.00 0.00 O ATOM 0 H GLY A 4 13.718 3.822 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.271 4.889 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.564 6.232 -2.416 1.00 0.00 H new ATOM 37 N SER A 5 12.152 6.801 -2.234 1.00 0.00 N ATOM 38 CA SER A 5 10.752 7.186 -2.297 1.00 0.00 C ATOM 39 C SER A 5 10.633 8.669 -2.654 1.00 0.00 C ATOM 40 O SER A 5 11.290 9.512 -2.045 1.00 0.00 O ATOM 41 CB SER A 5 10.042 6.900 -0.972 1.00 0.00 C ATOM 42 OG SER A 5 10.606 7.641 0.107 1.00 0.00 O ATOM 0 H SER A 5 12.798 7.569 -2.050 1.00 0.00 H new ATOM 0 HA SER A 5 10.268 6.592 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.984 7.146 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.103 5.834 -0.751 1.00 0.00 H new ATOM 0 HG SER A 5 10.124 7.432 0.934 1.00 0.00 H new ATOM 48 N SER A 6 9.791 8.942 -3.640 1.00 0.00 N ATOM 49 CA SER A 6 9.578 10.308 -4.085 1.00 0.00 C ATOM 50 C SER A 6 8.648 11.037 -3.112 1.00 0.00 C ATOM 51 O SER A 6 7.506 10.626 -2.915 1.00 0.00 O ATOM 52 CB SER A 6 8.997 10.342 -5.500 1.00 0.00 C ATOM 53 OG SER A 6 7.624 9.959 -5.523 1.00 0.00 O ATOM 0 H SER A 6 9.248 8.240 -4.143 1.00 0.00 H new ATOM 0 HA SER A 6 10.543 10.815 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.100 11.347 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.570 9.675 -6.143 1.00 0.00 H new ATOM 0 HG SER A 6 7.271 9.951 -4.609 1.00 0.00 H new ATOM 59 N GLY A 7 9.173 12.105 -2.530 1.00 0.00 N ATOM 60 CA GLY A 7 8.404 12.894 -1.582 1.00 0.00 C ATOM 61 C GLY A 7 8.763 14.378 -1.687 1.00 0.00 C ATOM 62 O GLY A 7 9.698 14.842 -1.036 1.00 0.00 O ATOM 0 H GLY A 7 10.121 12.443 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.339 12.759 -1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.596 12.540 -0.569 1.00 0.00 H new ATOM 66 N GLY A 8 8.001 15.082 -2.511 1.00 0.00 N ATOM 67 CA GLY A 8 8.227 16.503 -2.709 1.00 0.00 C ATOM 68 C GLY A 8 6.951 17.199 -3.189 1.00 0.00 C ATOM 69 O GLY A 8 6.127 17.621 -2.379 1.00 0.00 O ATOM 0 H GLY A 8 7.226 14.694 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.563 16.955 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.023 16.650 -3.439 1.00 0.00 H new ATOM 73 N PRO A 9 6.825 17.300 -4.540 1.00 0.00 N ATOM 74 CA PRO A 9 5.665 17.938 -5.137 1.00 0.00 C ATOM 75 C PRO A 9 4.437 17.028 -5.056 1.00 0.00 C ATOM 76 O PRO A 9 4.565 15.805 -5.058 1.00 0.00 O ATOM 77 CB PRO A 9 6.079 18.249 -6.566 1.00 0.00 C ATOM 78 CG PRO A 9 7.280 17.364 -6.854 1.00 0.00 C ATOM 79 CD PRO A 9 7.781 16.812 -5.529 1.00 0.00 C ATOM 0 HA PRO A 9 5.370 18.848 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.266 18.042 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.335 19.303 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.003 16.551 -7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.064 17.935 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.817 15.723 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.790 17.161 -5.311 1.00 0.00 H new ATOM 87 N PRO A 10 3.244 17.677 -4.984 1.00 0.00 N ATOM 88 CA PRO A 10 1.994 16.941 -4.902 1.00 0.00 C ATOM 89 C PRO A 10 1.624 16.338 -6.259 1.00 0.00 C ATOM 90 O PRO A 10 1.729 17.003 -7.288 1.00 0.00 O ATOM 91 CB PRO A 10 0.974 17.951 -4.403 1.00 0.00 C ATOM 92 CG PRO A 10 1.580 19.320 -4.666 1.00 0.00 C ATOM 93 CD PRO A 10 3.054 19.125 -4.979 1.00 0.00 C ATOM 0 HA PRO A 10 2.052 16.087 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.024 17.837 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.773 17.811 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.074 19.808 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.457 19.966 -3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.315 19.562 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.685 19.604 -4.230 1.00 0.00 H new ATOM 101 N THR A 11 1.197 15.084 -6.216 1.00 0.00 N ATOM 102 CA THR A 11 0.810 14.384 -7.429 1.00 0.00 C ATOM 103 C THR A 11 -0.564 14.860 -7.904 1.00 0.00 C ATOM 104 O THR A 11 -1.563 14.676 -7.210 1.00 0.00 O ATOM 105 CB THR A 11 0.869 12.881 -7.147 1.00 0.00 C ATOM 106 OG1 THR A 11 0.372 12.284 -8.341 1.00 0.00 O ATOM 107 CG2 THR A 11 -0.129 12.448 -6.070 1.00 0.00 C ATOM 0 H THR A 11 1.111 14.535 -5.361 1.00 0.00 H new ATOM 0 HA THR A 11 1.496 14.603 -8.248 1.00 0.00 H new ATOM 0 HB THR A 11 1.878 12.609 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.377 11.309 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.046 11.373 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.089 12.973 -5.140 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.141 12.689 -6.394 1.00 0.00 H new ATOM 115 N ARG A 12 -0.570 15.461 -9.085 1.00 0.00 N ATOM 116 CA ARG A 12 -1.805 15.965 -9.661 1.00 0.00 C ATOM 117 C ARG A 12 -2.633 14.812 -10.233 1.00 0.00 C ATOM 118 O ARG A 12 -2.894 14.767 -11.434 1.00 0.00 O ATOM 119 CB ARG A 12 -1.522 16.980 -10.770 1.00 0.00 C ATOM 120 CG ARG A 12 -0.453 16.457 -11.732 1.00 0.00 C ATOM 121 CD ARG A 12 0.923 17.030 -11.387 1.00 0.00 C ATOM 122 NE ARG A 12 1.388 17.920 -12.474 1.00 0.00 N ATOM 123 CZ ARG A 12 1.711 17.498 -13.704 1.00 0.00 C ATOM 124 NH1 ARG A 12 1.623 16.197 -14.010 1.00 0.00 N ATOM 125 NH2 ARG A 12 2.124 18.377 -14.627 1.00 0.00 N ATOM 0 H ARG A 12 0.260 15.610 -9.658 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.364 16.459 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.440 17.189 -11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.192 17.921 -10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.419 15.368 -11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.717 16.726 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.871 17.584 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.637 16.220 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 12 1.468 18.917 -12.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.310 15.528 -13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.869 15.876 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.193 19.368 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.370 18.056 -15.563 1.00 0.00 H new ATOM 139 N ARG A 13 -3.023 13.909 -9.346 1.00 0.00 N ATOM 140 CA ARG A 13 -3.816 12.759 -9.748 1.00 0.00 C ATOM 141 C ARG A 13 -5.058 12.635 -8.863 1.00 0.00 C ATOM 142 O ARG A 13 -5.198 13.361 -7.880 1.00 0.00 O ATOM 143 CB ARG A 13 -3.000 11.468 -9.654 1.00 0.00 C ATOM 144 CG ARG A 13 -2.503 11.032 -11.034 1.00 0.00 C ATOM 145 CD ARG A 13 -1.151 11.672 -11.356 1.00 0.00 C ATOM 146 NE ARG A 13 -0.433 10.858 -12.363 1.00 0.00 N ATOM 147 CZ ARG A 13 0.630 11.287 -13.056 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.106 12.523 -12.856 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.218 10.479 -13.949 1.00 0.00 N ATOM 0 H ARG A 13 -2.805 13.950 -8.350 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.118 12.910 -10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.150 11.618 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.611 10.678 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.412 9.946 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.233 11.313 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.299 12.684 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.553 11.754 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.769 9.911 -12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.659 13.138 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.915 12.849 -13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.856 9.538 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.027 10.806 -14.477 1.00 0.00 H new ATOM 163 N SER A 14 -5.926 11.710 -9.243 1.00 0.00 N ATOM 164 CA SER A 14 -7.152 11.482 -8.497 1.00 0.00 C ATOM 165 C SER A 14 -6.863 11.517 -6.995 1.00 0.00 C ATOM 166 O SER A 14 -5.712 11.402 -6.577 1.00 0.00 O ATOM 167 CB SER A 14 -7.792 10.147 -8.883 1.00 0.00 C ATOM 168 OG SER A 14 -8.133 10.099 -10.266 1.00 0.00 O ATOM 0 H SER A 14 -5.805 11.109 -10.058 1.00 0.00 H new ATOM 0 HA SER A 14 -7.856 12.276 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.104 9.334 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.688 9.987 -8.283 1.00 0.00 H new ATOM 0 HG SER A 14 -8.264 9.167 -10.538 1.00 0.00 H new ATOM 174 N ASP A 15 -7.929 11.678 -6.223 1.00 0.00 N ATOM 175 CA ASP A 15 -7.805 11.730 -4.777 1.00 0.00 C ATOM 176 C ASP A 15 -8.458 10.487 -4.168 1.00 0.00 C ATOM 177 O ASP A 15 -9.509 10.581 -3.536 1.00 0.00 O ATOM 178 CB ASP A 15 -8.510 12.962 -4.207 1.00 0.00 C ATOM 179 CG ASP A 15 -7.637 14.213 -4.096 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.445 14.108 -4.460 1.00 0.00 O ATOM 181 OD2 ASP A 15 -8.180 15.246 -3.649 1.00 0.00 O ATOM 0 H ASP A 15 -8.882 11.774 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.744 11.776 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.371 13.192 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.894 12.716 -3.217 1.00 0.00 H new ATOM 186 N PHE A 16 -7.809 9.352 -4.380 1.00 0.00 N ATOM 187 CA PHE A 16 -8.314 8.093 -3.860 1.00 0.00 C ATOM 188 C PHE A 16 -7.166 7.135 -3.533 1.00 0.00 C ATOM 189 O PHE A 16 -6.641 6.464 -4.420 1.00 0.00 O ATOM 190 CB PHE A 16 -9.183 7.473 -4.956 1.00 0.00 C ATOM 191 CG PHE A 16 -10.273 8.405 -5.489 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.169 8.963 -4.631 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.345 8.677 -6.819 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.180 9.829 -5.125 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.357 9.542 -7.313 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.253 10.100 -6.456 1.00 0.00 C ATOM 0 H PHE A 16 -6.938 9.278 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.878 8.268 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.543 7.169 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.651 6.569 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.111 8.747 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.633 8.235 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.891 10.273 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.415 9.757 -8.370 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.022 10.758 -6.832 1.00 0.00 H new ATOM 206 N ARG A 17 -6.811 7.102 -2.257 1.00 0.00 N ATOM 207 CA ARG A 17 -5.735 6.238 -1.802 1.00 0.00 C ATOM 208 C ARG A 17 -6.246 5.277 -0.726 1.00 0.00 C ATOM 209 O ARG A 17 -7.411 5.338 -0.337 1.00 0.00 O ATOM 210 CB ARG A 17 -4.574 7.056 -1.235 1.00 0.00 C ATOM 211 CG ARG A 17 -5.032 7.913 -0.053 1.00 0.00 C ATOM 212 CD ARG A 17 -3.926 8.874 0.388 1.00 0.00 C ATOM 213 NE ARG A 17 -3.741 9.934 -0.629 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.053 11.065 -0.419 1.00 0.00 C ATOM 215 NH1 ARG A 17 -2.482 11.290 0.772 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.937 11.970 -1.400 1.00 0.00 N ATOM 0 H ARG A 17 -7.249 7.660 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.379 5.671 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.775 6.387 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.161 7.696 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.921 8.479 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.313 7.269 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.183 9.321 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.993 8.328 0.530 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.164 9.795 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.571 10.601 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.958 12.151 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.372 11.798 -2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.414 12.831 -1.240 1.00 0.00 H new ATOM 230 N VAL A 18 -5.348 4.412 -0.276 1.00 0.00 N ATOM 231 CA VAL A 18 -5.693 3.440 0.747 1.00 0.00 C ATOM 232 C VAL A 18 -4.584 3.398 1.799 1.00 0.00 C ATOM 233 O VAL A 18 -3.425 3.144 1.475 1.00 0.00 O ATOM 234 CB VAL A 18 -5.960 2.077 0.105 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.279 2.084 -0.670 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.797 1.659 -0.797 1.00 0.00 C ATOM 0 H VAL A 18 -4.382 4.365 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.612 3.731 1.255 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.046 1.341 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.444 1.103 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.099 2.316 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.235 2.837 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.012 0.687 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.666 2.398 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.883 1.594 -0.206 1.00 0.00 H new ATOM 246 N LEU A 19 -4.978 3.652 3.039 1.00 0.00 N ATOM 247 CA LEU A 19 -4.031 3.647 4.141 1.00 0.00 C ATOM 248 C LEU A 19 -3.806 2.207 4.607 1.00 0.00 C ATOM 249 O LEU A 19 -4.762 1.479 4.868 1.00 0.00 O ATOM 250 CB LEU A 19 -4.499 4.587 5.254 1.00 0.00 C ATOM 251 CG LEU A 19 -4.620 6.065 4.876 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.621 6.951 6.123 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.526 6.470 3.886 1.00 0.00 C ATOM 0 H LEU A 19 -5.940 3.862 3.304 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.065 4.032 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.470 4.242 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.805 4.502 6.090 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.577 6.212 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.708 7.996 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.464 6.683 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.691 6.806 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.635 7.525 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.548 6.304 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.614 5.870 2.980 1.00 0.00 H new ATOM 265 N VAL A 20 -2.536 1.840 4.698 1.00 0.00 N ATOM 266 CA VAL A 20 -2.173 0.501 5.128 1.00 0.00 C ATOM 267 C VAL A 20 -1.311 0.591 6.388 1.00 0.00 C ATOM 268 O VAL A 20 -0.524 1.524 6.541 1.00 0.00 O ATOM 269 CB VAL A 20 -1.483 -0.247 3.984 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.547 -1.330 4.524 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.511 -0.841 3.020 1.00 0.00 C ATOM 0 H VAL A 20 -1.746 2.447 4.481 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.064 -0.073 5.384 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.879 0.471 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.069 -1.846 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.216 -0.871 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.120 -2.045 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.995 -1.367 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.153 -1.539 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.119 -0.041 2.598 1.00 0.00 H new ATOM 281 N SER A 21 -1.489 -0.391 7.260 1.00 0.00 N ATOM 282 CA SER A 21 -0.737 -0.435 8.502 1.00 0.00 C ATOM 283 C SER A 21 -0.547 -1.886 8.948 1.00 0.00 C ATOM 284 O SER A 21 -1.407 -2.731 8.708 1.00 0.00 O ATOM 285 CB SER A 21 -1.438 0.370 9.599 1.00 0.00 C ATOM 286 OG SER A 21 -0.511 1.069 10.424 1.00 0.00 O ATOM 0 H SER A 21 -2.144 -1.162 7.130 1.00 0.00 H new ATOM 0 HA SER A 21 0.240 0.015 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.126 1.082 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.037 -0.301 10.215 1.00 0.00 H new ATOM 0 HG SER A 21 -0.998 1.572 11.110 1.00 0.00 H new ATOM 292 N GLY A 22 0.587 -2.130 9.590 1.00 0.00 N ATOM 293 CA GLY A 22 0.901 -3.464 10.071 1.00 0.00 C ATOM 294 C GLY A 22 1.856 -4.182 9.115 1.00 0.00 C ATOM 295 O GLY A 22 1.851 -5.409 9.032 1.00 0.00 O ATOM 0 H GLY A 22 1.299 -1.426 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.352 -3.400 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.017 -4.042 10.175 1.00 0.00 H new ATOM 299 N LEU A 23 2.652 -3.386 8.416 1.00 0.00 N ATOM 300 CA LEU A 23 3.610 -3.929 7.469 1.00 0.00 C ATOM 301 C LEU A 23 4.733 -4.633 8.233 1.00 0.00 C ATOM 302 O LEU A 23 4.987 -4.323 9.396 1.00 0.00 O ATOM 303 CB LEU A 23 4.103 -2.836 6.519 1.00 0.00 C ATOM 304 CG LEU A 23 3.183 -2.504 5.343 1.00 0.00 C ATOM 305 CD1 LEU A 23 3.386 -1.060 4.879 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.369 -3.505 4.201 1.00 0.00 C ATOM 0 H LEU A 23 2.653 -2.368 8.487 1.00 0.00 H new ATOM 0 HA LEU A 23 3.136 -4.679 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.264 -1.926 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.072 -3.137 6.122 1.00 0.00 H new ATOM 0 HG LEU A 23 2.151 -2.591 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.720 -0.850 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.163 -0.379 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.420 -0.921 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.703 -3.246 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.402 -3.475 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.134 -4.509 4.555 1.00 0.00 H new ATOM 318 N PRO A 24 5.393 -5.592 7.530 1.00 0.00 N ATOM 319 CA PRO A 24 6.483 -6.343 8.129 1.00 0.00 C ATOM 320 C PRO A 24 7.750 -5.490 8.222 1.00 0.00 C ATOM 321 O PRO A 24 7.795 -4.379 7.696 1.00 0.00 O ATOM 322 CB PRO A 24 6.654 -7.565 7.242 1.00 0.00 C ATOM 323 CG PRO A 24 5.974 -7.224 5.927 1.00 0.00 C ATOM 324 CD PRO A 24 5.120 -5.986 6.151 1.00 0.00 C ATOM 0 HA PRO A 24 6.274 -6.640 9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.709 -7.792 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.202 -8.445 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.716 -7.040 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.358 -8.057 5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.383 -5.192 5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.062 -6.203 6.003 1.00 0.00 H new ATOM 332 N PRO A 25 8.776 -6.057 8.913 1.00 0.00 N ATOM 333 CA PRO A 25 10.040 -5.361 9.081 1.00 0.00 C ATOM 334 C PRO A 25 10.854 -5.382 7.786 1.00 0.00 C ATOM 335 O PRO A 25 11.822 -4.636 7.645 1.00 0.00 O ATOM 336 CB PRO A 25 10.732 -6.075 10.230 1.00 0.00 C ATOM 337 CG PRO A 25 10.045 -7.425 10.356 1.00 0.00 C ATOM 338 CD PRO A 25 8.759 -7.371 9.549 1.00 0.00 C ATOM 0 HA PRO A 25 9.911 -4.303 9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.797 -6.196 10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.644 -5.504 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.694 -8.219 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.831 -7.648 11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.723 -8.169 8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.885 -7.490 10.189 1.00 0.00 H new ATOM 346 N SER A 26 10.432 -6.245 6.874 1.00 0.00 N ATOM 347 CA SER A 26 11.111 -6.373 5.595 1.00 0.00 C ATOM 348 C SER A 26 10.207 -5.866 4.470 1.00 0.00 C ATOM 349 O SER A 26 10.689 -5.494 3.401 1.00 0.00 O ATOM 350 CB SER A 26 11.522 -7.824 5.333 1.00 0.00 C ATOM 351 OG SER A 26 12.047 -8.449 6.500 1.00 0.00 O ATOM 0 H SER A 26 9.629 -6.862 6.995 1.00 0.00 H new ATOM 0 HA SER A 26 12.016 -5.767 5.626 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.659 -8.387 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.269 -7.852 4.540 1.00 0.00 H new ATOM 0 HG SER A 26 12.296 -9.374 6.292 1.00 0.00 H new ATOM 357 N GLY A 27 8.911 -5.868 4.748 1.00 0.00 N ATOM 358 CA GLY A 27 7.936 -5.412 3.773 1.00 0.00 C ATOM 359 C GLY A 27 8.444 -4.179 3.023 1.00 0.00 C ATOM 360 O GLY A 27 9.195 -3.378 3.576 1.00 0.00 O ATOM 0 H GLY A 27 8.514 -6.178 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.725 -6.212 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.998 -5.175 4.275 1.00 0.00 H new ATOM 364 N SER A 28 8.015 -4.067 1.774 1.00 0.00 N ATOM 365 CA SER A 28 8.418 -2.945 0.943 1.00 0.00 C ATOM 366 C SER A 28 7.204 -2.380 0.203 1.00 0.00 C ATOM 367 O SER A 28 6.136 -2.991 0.197 1.00 0.00 O ATOM 368 CB SER A 28 9.501 -3.361 -0.055 1.00 0.00 C ATOM 369 OG SER A 28 9.014 -4.295 -1.014 1.00 0.00 O ATOM 0 H SER A 28 7.393 -4.734 1.318 1.00 0.00 H new ATOM 0 HA SER A 28 8.834 -2.172 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.879 -2.477 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.341 -3.799 0.484 1.00 0.00 H new ATOM 0 HG SER A 28 9.735 -4.534 -1.633 1.00 0.00 H new ATOM 375 N TRP A 29 7.408 -1.220 -0.404 1.00 0.00 N ATOM 376 CA TRP A 29 6.343 -0.566 -1.145 1.00 0.00 C ATOM 377 C TRP A 29 6.112 -1.354 -2.436 1.00 0.00 C ATOM 378 O TRP A 29 4.974 -1.515 -2.874 1.00 0.00 O ATOM 379 CB TRP A 29 6.675 0.907 -1.396 1.00 0.00 C ATOM 380 CG TRP A 29 7.982 1.130 -2.159 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.151 1.576 -1.680 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.207 0.897 -3.565 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.109 1.647 -2.670 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.517 1.221 -3.853 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.332 0.427 -4.561 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.069 1.112 -5.135 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.900 0.324 -5.836 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.217 0.646 -6.143 1.00 0.00 C ATOM 0 H TRP A 29 8.295 -0.716 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 29 5.418 -0.563 -0.569 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.858 1.363 -1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.733 1.424 -0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.322 1.846 -0.648 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.074 1.955 -2.555 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.304 0.166 -4.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.097 1.374 -5.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.270 -0.031 -6.638 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.581 0.537 -7.154 1.00 0.00 H new ATOM 399 N GLN A 30 7.210 -1.826 -3.008 1.00 0.00 N ATOM 400 CA GLN A 30 7.141 -2.593 -4.240 1.00 0.00 C ATOM 401 C GLN A 30 6.181 -3.774 -4.077 1.00 0.00 C ATOM 402 O GLN A 30 5.091 -3.776 -4.646 1.00 0.00 O ATOM 403 CB GLN A 30 8.530 -3.072 -4.667 1.00 0.00 C ATOM 404 CG GLN A 30 8.716 -2.938 -6.180 1.00 0.00 C ATOM 405 CD GLN A 30 8.936 -4.306 -6.828 1.00 0.00 C ATOM 406 OE1 GLN A 30 9.558 -5.194 -6.268 1.00 0.00 O ATOM 407 NE2 GLN A 30 8.395 -4.425 -8.037 1.00 0.00 N ATOM 0 H GLN A 30 8.152 -1.692 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 30 6.758 -1.944 -5.028 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.294 -2.491 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.667 -4.112 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.839 -2.461 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.568 -2.291 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.887 -3.642 -8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.488 -5.300 -8.554 1.00 0.00 H new ATOM 416 N ASP A 31 6.621 -4.749 -3.296 1.00 0.00 N ATOM 417 CA ASP A 31 5.815 -5.933 -3.050 1.00 0.00 C ATOM 418 C ASP A 31 4.425 -5.508 -2.572 1.00 0.00 C ATOM 419 O ASP A 31 3.433 -6.170 -2.871 1.00 0.00 O ATOM 420 CB ASP A 31 6.441 -6.810 -1.964 1.00 0.00 C ATOM 421 CG ASP A 31 7.418 -7.871 -2.473 1.00 0.00 C ATOM 422 OD1 ASP A 31 8.578 -7.491 -2.744 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.984 -9.038 -2.580 1.00 0.00 O ATOM 0 H ASP A 31 7.526 -4.744 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 31 5.755 -6.499 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.963 -6.167 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.642 -7.307 -1.414 1.00 0.00 H new ATOM 428 N LEU A 32 4.399 -4.405 -1.837 1.00 0.00 N ATOM 429 CA LEU A 32 3.147 -3.884 -1.314 1.00 0.00 C ATOM 430 C LEU A 32 2.225 -3.521 -2.480 1.00 0.00 C ATOM 431 O LEU A 32 1.072 -3.947 -2.520 1.00 0.00 O ATOM 432 CB LEU A 32 3.410 -2.723 -0.353 1.00 0.00 C ATOM 433 CG LEU A 32 2.182 -1.918 0.078 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.507 -1.023 1.275 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.610 -1.121 -1.096 1.00 0.00 C ATOM 0 H LEU A 32 5.224 -3.858 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 32 2.633 -4.644 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.892 -3.119 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.120 -2.042 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 32 1.410 -2.617 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.618 -0.462 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.832 -1.640 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.303 -0.329 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.738 -0.558 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.366 -0.431 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.317 -1.805 -1.892 1.00 0.00 H new ATOM 447 N LYS A 33 2.768 -2.737 -3.400 1.00 0.00 N ATOM 448 CA LYS A 33 2.008 -2.311 -4.563 1.00 0.00 C ATOM 449 C LYS A 33 1.471 -3.543 -5.294 1.00 0.00 C ATOM 450 O LYS A 33 0.260 -3.701 -5.445 1.00 0.00 O ATOM 451 CB LYS A 33 2.852 -1.391 -5.447 1.00 0.00 C ATOM 452 CG LYS A 33 1.966 -0.556 -6.374 1.00 0.00 C ATOM 453 CD LYS A 33 2.784 0.516 -7.096 1.00 0.00 C ATOM 454 CE LYS A 33 3.099 0.090 -8.532 1.00 0.00 C ATOM 455 NZ LYS A 33 3.907 1.126 -9.214 1.00 0.00 N ATOM 0 H LYS A 33 3.725 -2.386 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 33 1.145 -1.718 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.453 -0.731 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.545 -1.987 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.485 -1.206 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.172 -0.084 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.232 1.456 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.712 0.697 -6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.640 -0.856 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.172 -0.076 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.112 0.822 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.377 2.021 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.800 1.264 -8.699 1.00 0.00 H new ATOM 469 N ASP A 34 2.397 -4.384 -5.730 1.00 0.00 N ATOM 470 CA ASP A 34 2.031 -5.597 -6.442 1.00 0.00 C ATOM 471 C ASP A 34 0.800 -6.220 -5.780 1.00 0.00 C ATOM 472 O ASP A 34 0.005 -6.885 -6.443 1.00 0.00 O ATOM 473 CB ASP A 34 3.164 -6.625 -6.396 1.00 0.00 C ATOM 474 CG ASP A 34 4.269 -6.416 -7.433 1.00 0.00 C ATOM 475 OD1 ASP A 34 3.986 -5.718 -8.431 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.371 -6.959 -7.205 1.00 0.00 O ATOM 0 H ASP A 34 3.400 -4.250 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 34 1.827 -5.331 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.611 -6.606 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.739 -7.619 -6.536 1.00 0.00 H new ATOM 481 N HIS A 35 0.682 -5.983 -4.482 1.00 0.00 N ATOM 482 CA HIS A 35 -0.439 -6.512 -3.724 1.00 0.00 C ATOM 483 C HIS A 35 -1.633 -5.563 -3.842 1.00 0.00 C ATOM 484 O HIS A 35 -2.692 -5.950 -4.335 1.00 0.00 O ATOM 485 CB HIS A 35 -0.035 -6.780 -2.273 1.00 0.00 C ATOM 486 CG HIS A 35 -1.103 -7.466 -1.455 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.840 -8.556 -0.642 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.436 -7.207 -1.332 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.972 -8.927 -0.062 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.960 -8.091 -0.492 1.00 0.00 N ATOM 0 H HIS A 35 1.344 -5.432 -3.936 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.742 -7.473 -4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.865 -7.394 -2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.221 -5.833 -1.797 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.070 -8.998 -0.512 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.974 -6.416 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.091 -9.748 0.630 1.00 0.00 H new ATOM 498 N MET A 36 -1.422 -4.339 -3.382 1.00 0.00 N ATOM 499 CA MET A 36 -2.468 -3.331 -3.430 1.00 0.00 C ATOM 500 C MET A 36 -3.067 -3.229 -4.834 1.00 0.00 C ATOM 501 O MET A 36 -4.273 -3.036 -4.986 1.00 0.00 O ATOM 502 CB MET A 36 -1.889 -1.974 -3.023 1.00 0.00 C ATOM 503 CG MET A 36 -1.583 -1.937 -1.524 1.00 0.00 C ATOM 504 SD MET A 36 -3.066 -2.270 -0.590 1.00 0.00 S ATOM 505 CE MET A 36 -4.277 -1.485 -1.640 1.00 0.00 C ATOM 0 H MET A 36 -0.542 -4.022 -2.974 1.00 0.00 H new ATOM 0 HA MET A 36 -3.258 -3.622 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.978 -1.779 -3.589 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.596 -1.183 -3.273 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.818 -2.675 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.182 -0.961 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.187 -1.298 -1.069 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.880 -0.540 -2.010 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.505 -2.137 -2.483 1.00 0.00 H new ATOM 515 N ARG A 37 -2.199 -3.364 -5.825 1.00 0.00 N ATOM 516 CA ARG A 37 -2.627 -3.290 -7.212 1.00 0.00 C ATOM 517 C ARG A 37 -3.916 -4.090 -7.412 1.00 0.00 C ATOM 518 O ARG A 37 -4.687 -3.812 -8.329 1.00 0.00 O ATOM 519 CB ARG A 37 -1.548 -3.831 -8.152 1.00 0.00 C ATOM 520 CG ARG A 37 -0.217 -3.110 -7.929 1.00 0.00 C ATOM 521 CD ARG A 37 0.218 -2.360 -9.190 1.00 0.00 C ATOM 522 NE ARG A 37 0.516 -3.321 -10.275 1.00 0.00 N ATOM 523 CZ ARG A 37 0.579 -2.994 -11.572 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.367 -1.728 -11.955 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.856 -3.933 -12.487 1.00 0.00 N ATOM 0 H ARG A 37 -1.200 -3.524 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.805 -2.241 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.419 -4.901 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.865 -3.705 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.313 -2.409 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.550 -3.832 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.570 -1.676 -9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.099 -1.755 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 37 0.684 -4.294 -10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.158 -1.013 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.415 -1.479 -12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.019 -4.897 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.904 -3.684 -13.475 1.00 0.00 H new ATOM 539 N GLU A 38 -4.110 -5.068 -6.539 1.00 0.00 N ATOM 540 CA GLU A 38 -5.291 -5.910 -6.609 1.00 0.00 C ATOM 541 C GLU A 38 -6.480 -5.113 -7.150 1.00 0.00 C ATOM 542 O GLU A 38 -7.265 -5.626 -7.946 1.00 0.00 O ATOM 543 CB GLU A 38 -5.614 -6.516 -5.242 1.00 0.00 C ATOM 544 CG GLU A 38 -5.236 -7.998 -5.196 1.00 0.00 C ATOM 545 CD GLU A 38 -5.892 -8.767 -6.345 1.00 0.00 C ATOM 546 OE1 GLU A 38 -7.140 -8.731 -6.413 1.00 0.00 O ATOM 547 OE2 GLU A 38 -5.131 -9.374 -7.129 1.00 0.00 O ATOM 0 H GLU A 38 -3.468 -5.296 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.087 -6.732 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.075 -5.975 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.677 -6.402 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.153 -8.103 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.546 -8.427 -4.243 1.00 0.00 H new ATOM 554 N ALA A 39 -6.576 -3.872 -6.696 1.00 0.00 N ATOM 555 CA ALA A 39 -7.655 -3.000 -7.124 1.00 0.00 C ATOM 556 C ALA A 39 -7.584 -2.814 -8.641 1.00 0.00 C ATOM 557 O ALA A 39 -8.412 -3.351 -9.375 1.00 0.00 O ATOM 558 CB ALA A 39 -7.568 -1.671 -6.370 1.00 0.00 C ATOM 0 H ALA A 39 -5.923 -3.450 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.622 -3.445 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.378 -1.017 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.653 -1.854 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.611 -1.194 -6.582 1.00 0.00 H new ATOM 564 N GLY A 40 -6.586 -2.053 -9.066 1.00 0.00 N ATOM 565 CA GLY A 40 -6.396 -1.790 -10.482 1.00 0.00 C ATOM 566 C GLY A 40 -4.944 -1.410 -10.779 1.00 0.00 C ATOM 567 O GLY A 40 -4.047 -2.244 -10.675 1.00 0.00 O ATOM 0 H GLY A 40 -5.900 -1.610 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.670 -2.673 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.058 -0.984 -10.798 1.00 0.00 H new ATOM 571 N ASP A 41 -4.759 -0.150 -11.144 1.00 0.00 N ATOM 572 CA ASP A 41 -3.431 0.351 -11.457 1.00 0.00 C ATOM 573 C ASP A 41 -3.030 1.403 -10.421 1.00 0.00 C ATOM 574 O ASP A 41 -3.720 2.407 -10.251 1.00 0.00 O ATOM 575 CB ASP A 41 -3.403 1.012 -12.836 1.00 0.00 C ATOM 576 CG ASP A 41 -2.169 0.690 -13.682 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.938 -0.517 -13.912 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.485 1.658 -14.080 1.00 0.00 O ATOM 0 H ASP A 41 -5.506 0.539 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.741 -0.493 -11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.293 0.707 -13.387 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.464 2.092 -12.706 1.00 0.00 H new ATOM 583 N VAL A 42 -1.917 1.136 -9.754 1.00 0.00 N ATOM 584 CA VAL A 42 -1.416 2.048 -8.739 1.00 0.00 C ATOM 585 C VAL A 42 -0.561 3.127 -9.406 1.00 0.00 C ATOM 586 O VAL A 42 0.357 2.817 -10.163 1.00 0.00 O ATOM 587 CB VAL A 42 -0.659 1.267 -7.663 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.353 2.155 -6.455 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.437 0.018 -7.242 1.00 0.00 C ATOM 0 H VAL A 42 -1.348 0.302 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.242 2.552 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 42 0.290 0.942 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.185 1.576 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.260 3.000 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.286 2.523 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.877 -0.519 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.408 0.311 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.581 -0.629 -8.107 1.00 0.00 H new ATOM 599 N CYS A 43 -0.894 4.373 -9.101 1.00 0.00 N ATOM 600 CA CYS A 43 -0.169 5.500 -9.661 1.00 0.00 C ATOM 601 C CYS A 43 0.993 5.837 -8.725 1.00 0.00 C ATOM 602 O CYS A 43 2.059 6.254 -9.177 1.00 0.00 O ATOM 603 CB CYS A 43 -1.084 6.704 -9.891 1.00 0.00 C ATOM 604 SG CYS A 43 -0.088 8.170 -10.346 1.00 0.00 S ATOM 0 H CYS A 43 -1.657 4.626 -8.473 1.00 0.00 H new ATOM 0 HA CYS A 43 0.222 5.232 -10.642 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.800 6.481 -10.682 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.660 6.911 -8.989 1.00 0.00 H new ATOM 0 HG CYS A 43 1.176 7.890 -10.225 1.00 0.00 H new ATOM 610 N TYR A 44 0.748 5.645 -7.437 1.00 0.00 N ATOM 611 CA TYR A 44 1.761 5.923 -6.433 1.00 0.00 C ATOM 612 C TYR A 44 1.693 4.909 -5.290 1.00 0.00 C ATOM 613 O TYR A 44 0.608 4.486 -4.893 1.00 0.00 O ATOM 614 CB TYR A 44 1.439 7.315 -5.884 1.00 0.00 C ATOM 615 CG TYR A 44 2.347 7.756 -4.734 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.696 7.945 -4.955 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.818 7.965 -3.477 1.00 0.00 C ATOM 618 CE1 TYR A 44 4.552 8.360 -3.873 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.673 8.380 -2.395 1.00 0.00 C ATOM 620 CZ TYR A 44 3.997 8.557 -2.647 1.00 0.00 C ATOM 621 OH TYR A 44 4.805 8.949 -1.625 1.00 0.00 O ATOM 0 H TYR A 44 -0.137 5.300 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 44 2.759 5.865 -6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.517 8.041 -6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.404 7.329 -5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.110 7.782 -5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.762 7.817 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.610 8.511 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.272 8.547 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 44 4.273 9.052 -0.808 1.00 0.00 H new ATOM 631 N ALA A 45 2.866 4.547 -4.791 1.00 0.00 N ATOM 632 CA ALA A 45 2.954 3.590 -3.702 1.00 0.00 C ATOM 633 C ALA A 45 4.169 3.923 -2.833 1.00 0.00 C ATOM 634 O ALA A 45 5.300 3.922 -3.316 1.00 0.00 O ATOM 635 CB ALA A 45 3.015 2.172 -4.271 1.00 0.00 C ATOM 0 H ALA A 45 3.764 4.900 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 45 2.069 3.648 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.081 1.454 -3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.116 1.975 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.892 2.074 -4.911 1.00 0.00 H new ATOM 641 N ASP A 46 3.894 4.198 -1.567 1.00 0.00 N ATOM 642 CA ASP A 46 4.950 4.531 -0.627 1.00 0.00 C ATOM 643 C ASP A 46 4.726 3.765 0.678 1.00 0.00 C ATOM 644 O ASP A 46 3.654 3.203 0.896 1.00 0.00 O ATOM 645 CB ASP A 46 4.948 6.027 -0.303 1.00 0.00 C ATOM 646 CG ASP A 46 6.173 6.524 0.467 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.287 6.094 0.098 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.967 7.322 1.407 1.00 0.00 O ATOM 0 H ASP A 46 2.954 4.197 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 46 5.903 4.262 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.873 6.585 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.055 6.256 0.278 1.00 0.00 H new ATOM 653 N VAL A 47 5.756 3.766 1.512 1.00 0.00 N ATOM 654 CA VAL A 47 5.685 3.077 2.790 1.00 0.00 C ATOM 655 C VAL A 47 6.313 3.956 3.873 1.00 0.00 C ATOM 656 O VAL A 47 7.304 4.641 3.625 1.00 0.00 O ATOM 657 CB VAL A 47 6.344 1.701 2.680 1.00 0.00 C ATOM 658 CG1 VAL A 47 6.506 1.059 4.059 1.00 0.00 C ATOM 659 CG2 VAL A 47 5.554 0.788 1.739 1.00 0.00 C ATOM 0 H VAL A 47 6.644 4.233 1.328 1.00 0.00 H new ATOM 0 HA VAL A 47 4.647 2.903 3.073 1.00 0.00 H new ATOM 0 HB VAL A 47 7.339 1.839 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.977 0.082 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.130 1.696 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.527 0.941 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.044 -0.184 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.541 0.661 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.514 1.236 0.746 1.00 0.00 H new ATOM 669 N GLN A 48 5.710 3.907 5.052 1.00 0.00 N ATOM 670 CA GLN A 48 6.198 4.691 6.175 1.00 0.00 C ATOM 671 C GLN A 48 6.642 3.769 7.312 1.00 0.00 C ATOM 672 O GLN A 48 6.336 2.577 7.306 1.00 0.00 O ATOM 673 CB GLN A 48 5.136 5.682 6.655 1.00 0.00 C ATOM 674 CG GLN A 48 4.896 6.775 5.612 1.00 0.00 C ATOM 675 CD GLN A 48 4.824 8.155 6.271 1.00 0.00 C ATOM 676 OE1 GLN A 48 5.750 8.609 6.923 1.00 0.00 O ATOM 677 NE2 GLN A 48 3.676 8.793 6.065 1.00 0.00 N ATOM 0 H GLN A 48 4.889 3.337 5.254 1.00 0.00 H new ATOM 0 HA GLN A 48 7.061 5.268 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.204 5.153 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.453 6.134 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.698 6.762 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.968 6.575 5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.942 8.355 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.529 9.721 6.463 1.00 0.00 H new ATOM 686 N LYS A 49 7.355 4.355 8.262 1.00 0.00 N ATOM 687 CA LYS A 49 7.844 3.601 9.404 1.00 0.00 C ATOM 688 C LYS A 49 6.656 3.135 10.248 1.00 0.00 C ATOM 689 O LYS A 49 5.539 3.620 10.076 1.00 0.00 O ATOM 690 CB LYS A 49 8.871 4.421 10.188 1.00 0.00 C ATOM 691 CG LYS A 49 8.194 5.556 10.958 1.00 0.00 C ATOM 692 CD LYS A 49 9.158 6.186 11.966 1.00 0.00 C ATOM 693 CE LYS A 49 8.480 7.321 12.737 1.00 0.00 C ATOM 694 NZ LYS A 49 9.488 8.137 13.450 1.00 0.00 N ATOM 0 H LYS A 49 7.606 5.344 8.265 1.00 0.00 H new ATOM 0 HA LYS A 49 8.371 2.706 9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.405 3.773 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.612 4.833 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.844 6.316 10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.316 5.174 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.508 5.426 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.036 6.569 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.915 7.950 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.766 6.909 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.011 8.903 13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.009 7.537 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.153 8.546 12.763 1.00 0.00 H new ATOM 708 N ASP A 50 6.937 2.199 11.143 1.00 0.00 N ATOM 709 CA ASP A 50 5.906 1.662 12.014 1.00 0.00 C ATOM 710 C ASP A 50 5.222 0.482 11.321 1.00 0.00 C ATOM 711 O ASP A 50 4.819 -0.479 11.975 1.00 0.00 O ATOM 712 CB ASP A 50 4.839 2.715 12.318 1.00 0.00 C ATOM 713 CG ASP A 50 4.163 2.576 13.684 1.00 0.00 C ATOM 714 OD1 ASP A 50 4.905 2.602 14.689 1.00 0.00 O ATOM 715 OD2 ASP A 50 2.920 2.445 13.691 1.00 0.00 O ATOM 0 H ASP A 50 7.865 1.799 11.283 1.00 0.00 H new ATOM 0 HA ASP A 50 6.380 1.349 12.944 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.296 3.702 12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.073 2.668 11.544 1.00 0.00 H new ATOM 720 N GLY A 51 5.112 0.593 10.005 1.00 0.00 N ATOM 721 CA GLY A 51 4.484 -0.453 9.216 1.00 0.00 C ATOM 722 C GLY A 51 3.357 0.115 8.351 1.00 0.00 C ATOM 723 O GLY A 51 2.636 -0.634 7.694 1.00 0.00 O ATOM 0 H GLY A 51 5.447 1.391 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.229 -0.931 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.087 -1.223 9.877 1.00 0.00 H new ATOM 727 N MET A 52 3.241 1.435 8.378 1.00 0.00 N ATOM 728 CA MET A 52 2.214 2.112 7.604 1.00 0.00 C ATOM 729 C MET A 52 2.565 2.119 6.115 1.00 0.00 C ATOM 730 O MET A 52 3.731 1.982 5.748 1.00 0.00 O ATOM 731 CB MET A 52 2.067 3.551 8.101 1.00 0.00 C ATOM 732 CG MET A 52 1.119 3.623 9.300 1.00 0.00 C ATOM 733 SD MET A 52 1.959 4.344 10.700 1.00 0.00 S ATOM 734 CE MET A 52 1.061 3.568 12.033 1.00 0.00 C ATOM 0 H MET A 52 3.841 2.053 8.924 1.00 0.00 H new ATOM 0 HA MET A 52 1.274 1.575 7.734 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.044 3.944 8.381 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.689 4.181 7.296 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.242 4.218 9.045 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.764 2.624 9.554 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.294 4.072 12.971 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.009 3.638 11.840 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.349 2.519 12.104 1.00 0.00 H new ATOM 744 N GLY A 53 1.535 2.279 5.298 1.00 0.00 N ATOM 745 CA GLY A 53 1.719 2.306 3.857 1.00 0.00 C ATOM 746 C GLY A 53 0.677 3.203 3.187 1.00 0.00 C ATOM 747 O GLY A 53 -0.335 3.546 3.796 1.00 0.00 O ATOM 0 H GLY A 53 0.569 2.391 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.720 2.667 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.643 1.294 3.458 1.00 0.00 H new ATOM 751 N MET A 54 0.960 3.557 1.942 1.00 0.00 N ATOM 752 CA MET A 54 0.059 4.408 1.183 1.00 0.00 C ATOM 753 C MET A 54 0.112 4.070 -0.308 1.00 0.00 C ATOM 754 O MET A 54 1.189 3.843 -0.859 1.00 0.00 O ATOM 755 CB MET A 54 0.446 5.874 1.389 1.00 0.00 C ATOM 756 CG MET A 54 -0.695 6.806 0.976 1.00 0.00 C ATOM 757 SD MET A 54 -0.126 7.956 -0.265 1.00 0.00 S ATOM 758 CE MET A 54 -0.949 7.292 -1.703 1.00 0.00 C ATOM 0 H MET A 54 1.800 3.270 1.440 1.00 0.00 H new ATOM 0 HA MET A 54 -0.957 4.238 1.539 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.698 6.044 2.436 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.337 6.104 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.530 6.222 0.587 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.064 7.350 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.067 8.077 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.353 6.480 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.930 6.913 -1.418 1.00 0.00 H new ATOM 768 N VAL A 55 -1.063 4.048 -0.920 1.00 0.00 N ATOM 769 CA VAL A 55 -1.164 3.741 -2.337 1.00 0.00 C ATOM 770 C VAL A 55 -2.283 4.580 -2.957 1.00 0.00 C ATOM 771 O VAL A 55 -3.434 4.499 -2.530 1.00 0.00 O ATOM 772 CB VAL A 55 -1.364 2.237 -2.534 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.094 1.582 -3.080 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.810 1.568 -1.232 1.00 0.00 C ATOM 0 H VAL A 55 -1.954 4.238 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.239 4.002 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.156 2.098 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.263 0.513 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.162 2.029 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.726 1.736 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.945 0.499 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.051 1.722 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.752 2.005 -0.902 1.00 0.00 H new ATOM 784 N GLU A 56 -1.906 5.367 -3.954 1.00 0.00 N ATOM 785 CA GLU A 56 -2.864 6.220 -4.637 1.00 0.00 C ATOM 786 C GLU A 56 -3.309 5.572 -5.950 1.00 0.00 C ATOM 787 O GLU A 56 -2.497 5.366 -6.851 1.00 0.00 O ATOM 788 CB GLU A 56 -2.280 7.613 -4.883 1.00 0.00 C ATOM 789 CG GLU A 56 -3.150 8.693 -4.237 1.00 0.00 C ATOM 790 CD GLU A 56 -2.919 10.052 -4.901 1.00 0.00 C ATOM 791 OE1 GLU A 56 -1.757 10.306 -5.284 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.910 10.806 -5.010 1.00 0.00 O ATOM 0 H GLU A 56 -0.951 5.432 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.739 6.337 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.269 7.664 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.204 7.795 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.201 8.417 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.922 8.760 -3.173 1.00 0.00 H new ATOM 799 N TYR A 57 -4.597 5.270 -6.017 1.00 0.00 N ATOM 800 CA TYR A 57 -5.159 4.651 -7.205 1.00 0.00 C ATOM 801 C TYR A 57 -5.556 5.707 -8.239 1.00 0.00 C ATOM 802 O TYR A 57 -5.444 6.904 -7.982 1.00 0.00 O ATOM 803 CB TYR A 57 -6.416 3.912 -6.741 1.00 0.00 C ATOM 804 CG TYR A 57 -6.134 2.574 -6.054 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.444 1.586 -6.726 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.570 2.355 -4.763 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.178 0.327 -6.080 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.304 1.096 -4.117 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.621 0.144 -4.808 1.00 0.00 C ATOM 810 OH TYR A 57 -5.370 -1.045 -4.198 1.00 0.00 O ATOM 0 H TYR A 57 -5.267 5.442 -5.268 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.431 3.987 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.968 4.552 -6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.061 3.738 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.103 1.757 -7.737 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.111 3.128 -4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.639 -0.454 -6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.639 0.912 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.976 -1.667 -4.844 1.00 0.00 H new ATOM 820 N LEU A 58 -6.010 5.224 -9.386 1.00 0.00 N ATOM 821 CA LEU A 58 -6.424 6.111 -10.460 1.00 0.00 C ATOM 822 C LEU A 58 -7.951 6.200 -10.483 1.00 0.00 C ATOM 823 O LEU A 58 -8.512 7.182 -10.968 1.00 0.00 O ATOM 824 CB LEU A 58 -5.814 5.664 -11.790 1.00 0.00 C ATOM 825 CG LEU A 58 -4.320 5.943 -11.971 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.908 5.794 -13.436 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.947 7.315 -11.407 1.00 0.00 C ATOM 0 H LEU A 58 -6.100 4.230 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.048 7.119 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.979 4.592 -11.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.356 6.155 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.762 5.199 -11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.842 5.998 -13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.117 4.778 -13.771 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.471 6.500 -14.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.880 7.489 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.512 8.088 -11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.182 7.347 -10.343 1.00 0.00 H new ATOM 839 N ARG A 59 -8.580 5.162 -9.953 1.00 0.00 N ATOM 840 CA ARG A 59 -10.032 5.110 -9.906 1.00 0.00 C ATOM 841 C ARG A 59 -10.511 4.961 -8.461 1.00 0.00 C ATOM 842 O ARG A 59 -9.877 4.276 -7.660 1.00 0.00 O ATOM 843 CB ARG A 59 -10.568 3.944 -10.737 1.00 0.00 C ATOM 844 CG ARG A 59 -9.845 3.850 -12.082 1.00 0.00 C ATOM 845 CD ARG A 59 -10.147 5.071 -12.954 1.00 0.00 C ATOM 846 NE ARG A 59 -10.436 4.644 -14.341 1.00 0.00 N ATOM 847 CZ ARG A 59 -11.462 3.852 -14.685 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.302 3.398 -13.745 1.00 0.00 N ATOM 849 NH2 ARG A 59 -11.647 3.516 -15.968 1.00 0.00 N ATOM 0 H ARG A 59 -8.111 4.350 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.411 6.043 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.441 3.012 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.637 4.073 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.770 3.774 -11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.153 2.943 -12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.999 5.616 -12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.297 5.754 -12.945 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.816 4.973 -15.082 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.161 3.655 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.082 2.796 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.008 3.862 -16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.427 2.914 -16.230 1.00 0.00 H new ATOM 863 N LYS A 60 -11.627 5.614 -8.171 1.00 0.00 N ATOM 864 CA LYS A 60 -12.199 5.563 -6.836 1.00 0.00 C ATOM 865 C LYS A 60 -12.529 4.111 -6.483 1.00 0.00 C ATOM 866 O LYS A 60 -12.082 3.602 -5.457 1.00 0.00 O ATOM 867 CB LYS A 60 -13.397 6.509 -6.730 1.00 0.00 C ATOM 868 CG LYS A 60 -13.889 6.610 -5.285 1.00 0.00 C ATOM 869 CD LYS A 60 -15.285 7.234 -5.223 1.00 0.00 C ATOM 870 CE LYS A 60 -15.915 7.032 -3.844 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.353 7.381 -3.875 1.00 0.00 N ATOM 0 H LYS A 60 -12.150 6.181 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.478 5.915 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.117 7.498 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.205 6.152 -7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.910 5.618 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.192 7.211 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.221 8.299 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.921 6.787 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.793 5.995 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.400 7.650 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.765 7.238 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.463 8.377 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.843 6.773 -4.562 1.00 0.00 H new ATOM 885 N GLU A 61 -13.308 3.486 -7.353 1.00 0.00 N ATOM 886 CA GLU A 61 -13.703 2.103 -7.146 1.00 0.00 C ATOM 887 C GLU A 61 -12.519 1.286 -6.625 1.00 0.00 C ATOM 888 O GLU A 61 -12.614 0.647 -5.578 1.00 0.00 O ATOM 889 CB GLU A 61 -14.265 1.495 -8.432 1.00 0.00 C ATOM 890 CG GLU A 61 -15.599 0.792 -8.169 1.00 0.00 C ATOM 891 CD GLU A 61 -15.543 -0.673 -8.606 1.00 0.00 C ATOM 892 OE1 GLU A 61 -14.572 -1.349 -8.203 1.00 0.00 O ATOM 893 OE2 GLU A 61 -16.472 -1.084 -9.334 1.00 0.00 O ATOM 0 H GLU A 61 -13.677 3.912 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.494 2.079 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.403 2.277 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.550 0.783 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.841 0.850 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.397 1.305 -8.706 1.00 0.00 H new ATOM 900 N ASP A 62 -11.431 1.332 -7.380 1.00 0.00 N ATOM 901 CA ASP A 62 -10.230 0.604 -7.007 1.00 0.00 C ATOM 902 C ASP A 62 -9.981 0.773 -5.507 1.00 0.00 C ATOM 903 O ASP A 62 -9.786 -0.209 -4.792 1.00 0.00 O ATOM 904 CB ASP A 62 -9.007 1.140 -7.753 1.00 0.00 C ATOM 905 CG ASP A 62 -9.094 1.061 -9.279 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.044 0.408 -9.760 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.207 1.656 -9.929 1.00 0.00 O ATOM 0 H ASP A 62 -11.356 1.862 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.378 -0.445 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.852 2.180 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.128 0.585 -7.425 1.00 0.00 H new ATOM 912 N MET A 63 -9.995 2.025 -5.075 1.00 0.00 N ATOM 913 CA MET A 63 -9.773 2.336 -3.673 1.00 0.00 C ATOM 914 C MET A 63 -10.675 1.487 -2.774 1.00 0.00 C ATOM 915 O MET A 63 -10.190 0.653 -2.012 1.00 0.00 O ATOM 916 CB MET A 63 -10.057 3.819 -3.427 1.00 0.00 C ATOM 917 CG MET A 63 -9.542 4.255 -2.054 1.00 0.00 C ATOM 918 SD MET A 63 -9.871 5.991 -1.802 1.00 0.00 S ATOM 919 CE MET A 63 -11.548 6.080 -2.406 1.00 0.00 C ATOM 0 H MET A 63 -10.157 2.837 -5.671 1.00 0.00 H new ATOM 0 HA MET A 63 -8.734 2.111 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.582 4.418 -4.204 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.129 4.003 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.024 3.668 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.471 4.065 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.008 7.009 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.544 6.052 -3.496 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.118 5.233 -2.023 1.00 0.00 H new ATOM 929 N GLU A 64 -11.972 1.730 -2.894 1.00 0.00 N ATOM 930 CA GLU A 64 -12.947 0.999 -2.101 1.00 0.00 C ATOM 931 C GLU A 64 -12.797 -0.506 -2.332 1.00 0.00 C ATOM 932 O GLU A 64 -12.802 -1.287 -1.382 1.00 0.00 O ATOM 933 CB GLU A 64 -14.370 1.464 -2.418 1.00 0.00 C ATOM 934 CG GLU A 64 -14.543 2.952 -2.107 1.00 0.00 C ATOM 935 CD GLU A 64 -16.005 3.281 -1.798 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.677 2.395 -1.226 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.417 4.410 -2.139 1.00 0.00 O ATOM 0 H GLU A 64 -12.371 2.422 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.759 1.205 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.590 1.281 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.085 0.882 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.918 3.225 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.204 3.546 -2.956 1.00 0.00 H new ATOM 944 N TYR A 65 -12.666 -0.867 -3.600 1.00 0.00 N ATOM 945 CA TYR A 65 -12.515 -2.265 -3.968 1.00 0.00 C ATOM 946 C TYR A 65 -11.408 -2.931 -3.148 1.00 0.00 C ATOM 947 O TYR A 65 -11.670 -3.855 -2.380 1.00 0.00 O ATOM 948 CB TYR A 65 -12.114 -2.271 -5.445 1.00 0.00 C ATOM 949 CG TYR A 65 -11.757 -3.657 -5.986 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.510 -4.195 -5.737 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.681 -4.369 -6.724 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.174 -5.499 -6.247 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.345 -5.673 -7.234 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.108 -6.174 -6.970 1.00 0.00 C ATOM 955 OH TYR A 65 -10.791 -7.405 -7.452 1.00 0.00 O ATOM 0 H TYR A 65 -12.661 -0.216 -4.385 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.439 -2.813 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.934 -1.862 -6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.260 -1.607 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.787 -3.638 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.656 -3.948 -6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.202 -5.931 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.059 -6.240 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.554 -7.769 -7.948 1.00 0.00 H new ATOM 965 N ALA A 66 -10.194 -2.436 -3.340 1.00 0.00 N ATOM 966 CA ALA A 66 -9.046 -2.971 -2.628 1.00 0.00 C ATOM 967 C ALA A 66 -9.271 -2.824 -1.122 1.00 0.00 C ATOM 968 O ALA A 66 -8.894 -3.700 -0.346 1.00 0.00 O ATOM 969 CB ALA A 66 -7.776 -2.261 -3.100 1.00 0.00 C ATOM 0 H ALA A 66 -9.980 -1.670 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.924 -4.033 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.915 -2.662 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.646 -2.421 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.861 -1.193 -2.901 1.00 0.00 H new ATOM 975 N LEU A 67 -9.885 -1.709 -0.754 1.00 0.00 N ATOM 976 CA LEU A 67 -10.165 -1.435 0.645 1.00 0.00 C ATOM 977 C LEU A 67 -10.896 -2.632 1.258 1.00 0.00 C ATOM 978 O LEU A 67 -10.443 -3.198 2.251 1.00 0.00 O ATOM 979 CB LEU A 67 -10.920 -0.113 0.792 1.00 0.00 C ATOM 980 CG LEU A 67 -10.059 1.152 0.820 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.923 2.407 0.678 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.188 1.194 2.077 1.00 0.00 C ATOM 0 H LEU A 67 -10.197 -0.985 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.236 -1.308 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.628 -0.028 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.504 -0.151 1.711 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.386 1.127 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.286 3.291 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.462 2.372 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.637 2.452 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.586 2.103 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.825 1.185 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.532 0.324 2.094 1.00 0.00 H new ATOM 994 N ARG A 68 -12.014 -2.981 0.640 1.00 0.00 N ATOM 995 CA ARG A 68 -12.812 -4.100 1.112 1.00 0.00 C ATOM 996 C ARG A 68 -12.119 -5.423 0.782 1.00 0.00 C ATOM 997 O ARG A 68 -11.693 -6.147 1.681 1.00 0.00 O ATOM 998 CB ARG A 68 -14.205 -4.090 0.479 1.00 0.00 C ATOM 999 CG ARG A 68 -14.862 -2.716 0.622 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.102 -2.373 2.094 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.084 -1.272 2.203 1.00 0.00 N ATOM 1002 CZ ARG A 68 -16.789 -1.002 3.310 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.625 -1.752 4.409 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -17.658 0.018 3.319 1.00 0.00 N ATOM 0 H ARG A 68 -12.387 -2.509 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.916 -4.000 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.131 -4.354 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.830 -4.847 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.227 -1.956 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.809 -2.704 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.468 -3.251 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.163 -2.082 2.566 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.234 -0.682 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.963 -2.528 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.162 -1.546 5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.783 0.589 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.195 0.223 4.162 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.026 -5.699 -0.511 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.391 -6.923 -0.971 1.00 0.00 C ATOM 1020 C LYS A 69 -10.204 -7.249 -0.063 1.00 0.00 C ATOM 1021 O LYS A 69 -10.175 -8.302 0.572 1.00 0.00 O ATOM 1022 CB LYS A 69 -11.021 -6.810 -2.451 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.154 -7.324 -3.341 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.322 -6.337 -3.367 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.520 -6.923 -4.118 1.00 0.00 C ATOM 1026 NZ LYS A 69 -14.172 -7.170 -5.535 1.00 0.00 N ATOM 0 H LYS A 69 -12.380 -5.096 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.084 -7.761 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.804 -5.770 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.113 -7.380 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.783 -7.480 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.499 -8.291 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.615 -6.088 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.008 -5.409 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.832 -7.855 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.365 -6.237 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.981 -6.922 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.352 -6.587 -5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.938 -8.175 -5.665 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.254 -6.327 -0.030 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.067 -6.503 0.790 1.00 0.00 C ATOM 1042 C LEU A 70 -8.467 -6.493 2.266 1.00 0.00 C ATOM 1043 O LEU A 70 -8.278 -7.484 2.971 1.00 0.00 O ATOM 1044 CB LEU A 70 -7.009 -5.458 0.432 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.742 -5.257 -1.061 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.865 -4.026 -1.301 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.141 -6.519 -1.685 1.00 0.00 C ATOM 0 H LEU A 70 -9.282 -5.455 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.606 -7.470 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.313 -4.502 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.072 -5.739 0.914 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.695 -5.075 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.691 -3.906 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.368 -3.140 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.911 -4.154 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.961 -6.350 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.199 -6.756 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.835 -7.351 -1.563 1.00 0.00 H new ATOM 1059 N ASP A 71 -9.012 -5.363 2.691 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.440 -5.211 4.072 1.00 0.00 C ATOM 1061 C ASP A 71 -8.774 -6.289 4.929 1.00 0.00 C ATOM 1062 O ASP A 71 -9.397 -7.298 5.259 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.956 -5.375 4.200 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.519 -5.117 5.599 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.383 -3.964 6.061 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.072 -6.079 6.174 1.00 0.00 O ATOM 0 H ASP A 71 -9.167 -4.544 2.104 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.156 -4.213 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.440 -4.695 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.223 -6.388 3.898 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.517 -6.040 5.266 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.760 -6.977 6.078 1.00 0.00 C ATOM 1073 C ASP A 72 -6.383 -8.193 5.229 1.00 0.00 C ATOM 1074 O ASP A 72 -7.226 -9.041 4.945 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.588 -7.469 7.267 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.772 -7.915 8.482 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.533 -7.765 8.420 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.407 -8.397 9.445 1.00 0.00 O ATOM 0 H ASP A 72 -7.004 -5.202 4.991 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.871 -6.464 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.264 -6.671 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.208 -8.303 6.938 1.00 0.00 H new ATOM 1083 N THR A 73 -5.115 -8.238 4.848 1.00 0.00 N ATOM 1084 CA THR A 73 -4.615 -9.335 4.038 1.00 0.00 C ATOM 1085 C THR A 73 -3.236 -9.777 4.530 1.00 0.00 C ATOM 1086 O THR A 73 -2.621 -9.101 5.353 1.00 0.00 O ATOM 1087 CB THR A 73 -4.624 -8.885 2.576 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.041 -7.585 2.609 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.039 -8.646 2.044 1.00 0.00 C ATOM 0 H THR A 73 -4.419 -7.532 5.086 1.00 0.00 H new ATOM 0 HA THR A 73 -5.253 -10.214 4.126 1.00 0.00 H new ATOM 0 HB THR A 73 -4.129 -9.638 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.608 -7.399 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.987 -8.329 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.615 -9.569 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.524 -7.870 2.636 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.790 -10.909 4.004 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.494 -11.449 4.379 1.00 0.00 C ATOM 1099 C LYS A 74 -0.448 -11.015 3.350 1.00 0.00 C ATOM 1100 O LYS A 74 -0.334 -11.618 2.284 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.580 -12.964 4.568 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.226 -13.542 4.987 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.392 -14.926 5.618 1.00 0.00 C ATOM 1104 CE LYS A 74 -0.007 -14.904 7.098 1.00 0.00 C ATOM 1105 NZ LYS A 74 -0.192 -16.242 7.702 1.00 0.00 N ATOM 0 H LYS A 74 -3.303 -11.467 3.321 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.178 -11.048 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.329 -13.198 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.908 -13.432 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.429 -13.611 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.256 -12.870 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.425 -15.256 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.229 -15.648 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.032 -14.591 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.617 -14.172 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.074 -16.209 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.189 -16.527 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.409 -16.932 7.207 1.00 0.00 H new ATOM 1119 N PHE A 75 0.289 -9.973 3.705 1.00 0.00 N ATOM 1120 CA PHE A 75 1.322 -9.452 2.826 1.00 0.00 C ATOM 1121 C PHE A 75 2.639 -10.205 3.022 1.00 0.00 C ATOM 1122 O PHE A 75 3.081 -10.406 4.152 1.00 0.00 O ATOM 1123 CB PHE A 75 1.527 -7.983 3.198 1.00 0.00 C ATOM 1124 CG PHE A 75 2.630 -7.286 2.398 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.705 -7.458 1.051 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.535 -6.496 3.035 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.729 -6.812 0.309 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.559 -5.849 2.293 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.634 -6.021 0.946 1.00 0.00 C ATOM 0 H PHE A 75 0.191 -9.475 4.590 1.00 0.00 H new ATOM 0 HA PHE A 75 1.019 -9.569 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.590 -7.447 3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.766 -7.918 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.986 -8.086 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.475 -6.360 4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.789 -6.949 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.278 -5.221 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.413 -5.529 0.382 1.00 0.00 H new ATOM 1139 N ARG A 76 3.230 -10.600 1.903 1.00 0.00 N ATOM 1140 CA ARG A 76 4.489 -11.325 1.938 1.00 0.00 C ATOM 1141 C ARG A 76 5.631 -10.431 1.451 1.00 0.00 C ATOM 1142 O ARG A 76 5.692 -10.083 0.272 1.00 0.00 O ATOM 1143 CB ARG A 76 4.425 -12.580 1.065 1.00 0.00 C ATOM 1144 CG ARG A 76 5.544 -13.558 1.429 1.00 0.00 C ATOM 1145 CD ARG A 76 5.155 -14.994 1.070 1.00 0.00 C ATOM 1146 NE ARG A 76 5.941 -15.455 -0.096 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.622 -16.521 -0.843 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.532 -17.242 -0.550 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.394 -16.866 -1.882 1.00 0.00 N ATOM 0 H ARG A 76 2.860 -10.432 0.967 1.00 0.00 H new ATOM 0 HA ARG A 76 4.672 -11.622 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.457 -13.066 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.508 -12.301 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.458 -13.283 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.758 -13.491 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.332 -15.651 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.090 -15.045 0.844 1.00 0.00 H new ATOM 0 HE ARG A 76 6.778 -14.929 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.945 -16.980 0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.289 -18.053 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.225 -16.317 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.151 -17.677 -2.451 1.00 0.00 H new ATOM 1163 N SER A 77 6.507 -10.084 2.382 1.00 0.00 N ATOM 1164 CA SER A 77 7.643 -9.237 2.063 1.00 0.00 C ATOM 1165 C SER A 77 8.567 -9.952 1.075 1.00 0.00 C ATOM 1166 O SER A 77 8.375 -11.131 0.782 1.00 0.00 O ATOM 1167 CB SER A 77 8.414 -8.849 3.326 1.00 0.00 C ATOM 1168 OG SER A 77 9.073 -9.968 3.913 1.00 0.00 O ATOM 0 H SER A 77 6.453 -10.374 3.358 1.00 0.00 H new ATOM 0 HA SER A 77 7.269 -8.322 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.149 -8.083 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.727 -8.412 4.050 1.00 0.00 H new ATOM 0 HG SER A 77 8.407 -10.574 4.299 1.00 0.00 H new ATOM 1174 N HIS A 78 9.550 -9.208 0.589 1.00 0.00 N ATOM 1175 CA HIS A 78 10.505 -9.756 -0.359 1.00 0.00 C ATOM 1176 C HIS A 78 11.454 -10.714 0.364 1.00 0.00 C ATOM 1177 O HIS A 78 12.179 -11.475 -0.275 1.00 0.00 O ATOM 1178 CB HIS A 78 11.241 -8.637 -1.098 1.00 0.00 C ATOM 1179 CG HIS A 78 12.298 -7.946 -0.271 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.511 -7.536 -0.795 1.00 0.00 N ATOM 1181 CD2 HIS A 78 12.311 -7.598 1.048 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.215 -6.968 0.173 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.470 -7.008 1.315 1.00 0.00 N ATOM 0 H HIS A 78 9.706 -8.230 0.834 1.00 0.00 H new ATOM 0 HA HIS A 78 9.978 -10.329 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.707 -9.051 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.514 -7.897 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.514 -7.773 1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.205 -6.547 0.075 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.756 -6.645 2.224 1.00 0.00 H new ATOM 1191 N GLU A 79 11.420 -10.644 1.686 1.00 0.00 N ATOM 1192 CA GLU A 79 12.269 -11.495 2.503 1.00 0.00 C ATOM 1193 C GLU A 79 11.526 -12.778 2.882 1.00 0.00 C ATOM 1194 O GLU A 79 12.103 -13.674 3.496 1.00 0.00 O ATOM 1195 CB GLU A 79 12.751 -10.752 3.750 1.00 0.00 C ATOM 1196 CG GLU A 79 14.115 -10.102 3.508 1.00 0.00 C ATOM 1197 CD GLU A 79 15.240 -11.134 3.606 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.375 -11.723 4.700 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.939 -11.310 2.585 1.00 0.00 O ATOM 0 H GLU A 79 10.818 -10.011 2.212 1.00 0.00 H new ATOM 0 HA GLU A 79 13.149 -11.766 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.024 -9.988 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.818 -11.446 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.130 -9.635 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.279 -9.310 4.238 1.00 0.00 H new ATOM 1206 N GLY A 80 10.258 -12.825 2.499 1.00 0.00 N ATOM 1207 CA GLY A 80 9.431 -13.983 2.791 1.00 0.00 C ATOM 1208 C GLY A 80 8.490 -13.704 3.965 1.00 0.00 C ATOM 1209 O GLY A 80 7.364 -14.198 3.993 1.00 0.00 O ATOM 0 H GLY A 80 9.784 -12.080 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.849 -14.250 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.066 -14.838 3.024 1.00 0.00 H new ATOM 1213 N GLU A 81 8.987 -12.912 4.904 1.00 0.00 N ATOM 1214 CA GLU A 81 8.205 -12.561 6.077 1.00 0.00 C ATOM 1215 C GLU A 81 6.764 -12.235 5.676 1.00 0.00 C ATOM 1216 O GLU A 81 6.518 -11.745 4.576 1.00 0.00 O ATOM 1217 CB GLU A 81 8.842 -11.392 6.831 1.00 0.00 C ATOM 1218 CG GLU A 81 9.464 -11.862 8.147 1.00 0.00 C ATOM 1219 CD GLU A 81 8.393 -12.061 9.221 1.00 0.00 C ATOM 1220 OE1 GLU A 81 8.106 -11.070 9.927 1.00 0.00 O ATOM 1221 OE2 GLU A 81 7.884 -13.199 9.311 1.00 0.00 O ATOM 0 H GLU A 81 9.921 -12.504 4.876 1.00 0.00 H new ATOM 0 HA GLU A 81 8.189 -13.419 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.607 -10.927 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.088 -10.631 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.000 -12.797 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.195 -11.130 8.489 1.00 0.00 H new ATOM 1228 N THR A 82 5.850 -12.522 6.592 1.00 0.00 N ATOM 1229 CA THR A 82 4.441 -12.265 6.348 1.00 0.00 C ATOM 1230 C THR A 82 3.838 -11.460 7.500 1.00 0.00 C ATOM 1231 O THR A 82 4.238 -11.622 8.652 1.00 0.00 O ATOM 1232 CB THR A 82 3.749 -13.610 6.120 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.385 -14.490 7.043 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.072 -14.211 4.750 1.00 0.00 C ATOM 0 H THR A 82 6.058 -12.930 7.504 1.00 0.00 H new ATOM 0 HA THR A 82 4.299 -11.654 5.457 1.00 0.00 H new ATOM 0 HB THR A 82 2.671 -13.483 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.995 -15.385 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.556 -15.165 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.744 -13.528 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.147 -14.369 4.666 1.00 0.00 H new ATOM 1242 N SER A 83 2.885 -10.608 7.150 1.00 0.00 N ATOM 1243 CA SER A 83 2.223 -9.776 8.140 1.00 0.00 C ATOM 1244 C SER A 83 0.812 -9.423 7.668 1.00 0.00 C ATOM 1245 O SER A 83 0.507 -9.524 6.480 1.00 0.00 O ATOM 1246 CB SER A 83 3.025 -8.503 8.415 1.00 0.00 C ATOM 1247 OG SER A 83 4.205 -8.767 9.169 1.00 0.00 O ATOM 0 H SER A 83 2.556 -10.476 6.194 1.00 0.00 H new ATOM 0 HA SER A 83 2.157 -10.339 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.297 -8.034 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.401 -7.791 8.956 1.00 0.00 H new ATOM 0 HG SER A 83 4.357 -9.734 9.210 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.013 -9.016 8.622 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.385 -8.648 8.318 1.00 0.00 C ATOM 1255 C TYR A 84 -1.537 -7.128 8.228 1.00 0.00 C ATOM 1256 O TYR A 84 -1.454 -6.431 9.238 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.229 -9.164 9.486 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.306 -10.171 9.077 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.030 -11.127 8.120 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.553 -10.124 9.666 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.043 -12.074 7.736 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.567 -11.072 9.282 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.262 -12.000 8.335 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.219 -12.896 7.973 1.00 0.00 O ATOM 0 H TYR A 84 0.243 -8.933 9.606 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.693 -9.070 7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.570 -9.629 10.219 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.706 -8.317 9.978 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.054 -11.164 7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.769 -9.376 10.415 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.840 -12.827 6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.547 -11.047 9.735 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.038 -12.724 8.483 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.757 -6.659 7.008 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.922 -5.235 6.773 1.00 0.00 C ATOM 1276 C ILE A 85 -3.395 -4.936 6.488 1.00 0.00 C ATOM 1277 O ILE A 85 -4.017 -5.597 5.658 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.974 -4.761 5.669 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.261 -5.484 4.352 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.487 -4.912 6.099 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.923 -4.595 3.153 1.00 0.00 C ATOM 0 H ILE A 85 -1.825 -7.240 6.172 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.648 -4.668 7.663 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.152 -3.699 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.678 -6.404 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.312 -5.771 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.140 -4.568 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.666 -4.316 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.697 -5.960 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.136 -5.133 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.526 -3.687 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.134 -4.330 3.183 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.911 -3.940 7.193 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.299 -3.545 7.026 1.00 0.00 C ATOM 1295 C ARG A 86 -5.415 -2.445 5.970 1.00 0.00 C ATOM 1296 O ARG A 86 -4.504 -1.634 5.810 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.891 -3.042 8.344 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.934 -4.022 8.886 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.339 -3.644 8.412 1.00 0.00 C ATOM 1300 NE ARG A 86 -9.199 -3.331 9.576 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.606 -4.238 10.474 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -9.236 -5.519 10.348 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.385 -3.863 11.499 1.00 0.00 N ATOM 0 H ARG A 86 -3.392 -3.395 7.881 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.857 -4.424 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.095 -2.910 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.349 -2.065 8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.695 -5.033 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.903 -4.026 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.288 -2.783 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.772 -4.465 7.840 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.500 -2.365 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.644 -5.804 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.546 -6.209 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.667 -2.888 11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.695 -4.553 12.183 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.544 -2.451 5.276 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.791 -1.463 4.240 1.00 0.00 C ATOM 1319 C VAL A 87 -7.963 -0.573 4.659 1.00 0.00 C ATOM 1320 O VAL A 87 -9.075 -1.058 4.858 1.00 0.00 O ATOM 1321 CB VAL A 87 -7.020 -2.159 2.897 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.723 -1.214 1.731 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.185 -3.437 2.793 1.00 0.00 C ATOM 0 H VAL A 87 -7.298 -3.125 5.411 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.922 -0.818 4.113 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.072 -2.440 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.894 -1.734 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.379 -0.346 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.684 -0.888 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.366 -3.913 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.127 -3.189 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.466 -4.121 3.594 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.672 0.715 4.780 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.688 1.677 5.172 1.00 0.00 C ATOM 1335 C TYR A 88 -8.424 3.043 4.535 1.00 0.00 C ATOM 1336 O TYR A 88 -7.294 3.346 4.155 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.581 1.807 6.692 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.175 2.146 7.191 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.197 1.172 7.212 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.884 3.425 7.619 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.874 1.490 7.681 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.560 3.743 8.088 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.620 2.760 8.096 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.370 3.061 8.539 1.00 0.00 O ATOM 0 H TYR A 88 -6.748 1.114 4.614 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.675 1.346 4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.271 2.580 7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.902 0.871 7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.425 0.171 6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.649 4.187 7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.100 0.737 7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.319 4.740 8.426 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.334 4.004 8.802 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.513 3.851 4.436 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.410 5.178 3.852 1.00 0.00 C ATOM 1356 C PRO A 89 -8.732 6.151 4.818 1.00 0.00 C ATOM 1357 O PRO A 89 -8.359 5.772 5.928 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.839 5.572 3.517 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.728 4.659 4.344 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.866 3.525 4.876 1.00 0.00 C ATOM 0 HA PRO A 89 -8.786 5.197 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.022 6.619 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.038 5.451 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.182 5.211 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.543 4.266 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.924 3.459 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.190 2.562 4.481 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.592 7.387 4.362 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.966 8.418 5.172 1.00 0.00 C ATOM 1370 C GLU A 90 -8.984 9.023 6.141 1.00 0.00 C ATOM 1371 O GLU A 90 -10.171 9.105 5.828 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.335 9.499 4.292 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.028 10.009 4.902 1.00 0.00 C ATOM 1374 CD GLU A 90 -6.046 11.532 5.044 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.419 12.190 4.048 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.686 12.004 6.144 1.00 0.00 O ATOM 0 H GLU A 90 -8.902 7.698 3.441 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.167 7.960 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.144 9.097 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.032 10.328 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.876 9.551 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.188 9.709 4.275 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.482 9.433 7.297 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.333 10.029 8.313 1.00 0.00 C ATOM 1385 C ARG A 91 -10.682 9.309 8.363 1.00 0.00 C ATOM 1386 O ARG A 91 -10.797 8.166 7.924 1.00 0.00 O ATOM 1387 CB ARG A 91 -9.565 11.515 8.035 1.00 0.00 C ATOM 1388 CG ARG A 91 -10.456 11.711 6.806 1.00 0.00 C ATOM 1389 CD ARG A 91 -9.615 11.869 5.538 1.00 0.00 C ATOM 1390 NE ARG A 91 -10.258 11.156 4.412 1.00 0.00 N ATOM 1391 CZ ARG A 91 -10.058 11.455 3.121 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -9.232 12.455 2.786 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -10.684 10.754 2.166 1.00 0.00 N ATOM 0 H ARG A 91 -7.497 9.364 7.552 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.826 9.926 9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.029 11.983 8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.608 12.013 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.126 10.858 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.082 12.593 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.504 12.926 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.613 11.474 5.705 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.893 10.389 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.756 12.988 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.079 12.683 1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.313 9.993 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.532 10.982 1.183 1.00 0.00 H new ATOM 1407 N SER A 92 -11.670 10.009 8.902 1.00 0.00 N ATOM 1408 CA SER A 92 -13.007 9.452 9.016 1.00 0.00 C ATOM 1409 C SER A 92 -14.044 10.576 9.018 1.00 0.00 C ATOM 1410 O SER A 92 -14.004 11.461 9.871 1.00 0.00 O ATOM 1411 CB SER A 92 -13.144 8.602 10.281 1.00 0.00 C ATOM 1412 OG SER A 92 -14.298 7.768 10.241 1.00 0.00 O ATOM 0 H SER A 92 -11.571 10.957 9.265 1.00 0.00 H new ATOM 0 HA SER A 92 -13.182 8.806 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.254 7.984 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.198 9.255 11.152 1.00 0.00 H new ATOM 0 HG SER A 92 -14.349 7.240 11.065 1.00 0.00 H new ATOM 1418 N SER A 93 -14.949 10.505 8.052 1.00 0.00 N ATOM 1419 CA SER A 93 -15.995 11.507 7.931 1.00 0.00 C ATOM 1420 C SER A 93 -15.383 12.909 7.959 1.00 0.00 C ATOM 1421 O SER A 93 -15.312 13.539 9.013 1.00 0.00 O ATOM 1422 CB SER A 93 -17.031 11.358 9.047 1.00 0.00 C ATOM 1423 OG SER A 93 -18.308 10.977 8.543 1.00 0.00 O ATOM 0 H SER A 93 -14.979 9.769 7.346 1.00 0.00 H new ATOM 0 HA SER A 93 -16.503 11.358 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.687 10.612 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.121 12.301 9.586 1.00 0.00 H new ATOM 0 HG SER A 93 -18.941 10.891 9.286 1.00 0.00 H new ATOM 1429 N GLY A 94 -14.956 13.356 6.787 1.00 0.00 N ATOM 1430 CA GLY A 94 -14.353 14.672 6.663 1.00 0.00 C ATOM 1431 C GLY A 94 -15.423 15.752 6.493 1.00 0.00 C ATOM 1432 O GLY A 94 -16.463 15.710 7.147 1.00 0.00 O ATOM 0 H GLY A 94 -15.016 12.830 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.753 14.886 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.677 14.687 5.808 1.00 0.00 H new ATOM 1436 N PRO A 95 -15.123 16.721 5.586 1.00 0.00 N ATOM 1437 CA PRO A 95 -16.047 17.810 5.321 1.00 0.00 C ATOM 1438 C PRO A 95 -17.228 17.333 4.473 1.00 0.00 C ATOM 1439 O PRO A 95 -17.051 16.942 3.320 1.00 0.00 O ATOM 1440 CB PRO A 95 -15.212 18.876 4.630 1.00 0.00 C ATOM 1441 CG PRO A 95 -13.970 18.164 4.118 1.00 0.00 C ATOM 1442 CD PRO A 95 -13.901 16.803 4.792 1.00 0.00 C ATOM 0 HA PRO A 95 -16.502 18.206 6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.765 19.335 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.947 19.675 5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.014 18.052 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.076 18.747 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.851 15.999 4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.014 16.716 5.420 1.00 0.00 H new ATOM 1450 N SER A 96 -18.407 17.382 5.076 1.00 0.00 N ATOM 1451 CA SER A 96 -19.616 16.960 4.391 1.00 0.00 C ATOM 1452 C SER A 96 -19.915 17.906 3.226 1.00 0.00 C ATOM 1453 O SER A 96 -19.407 19.026 3.185 1.00 0.00 O ATOM 1454 CB SER A 96 -20.805 16.910 5.352 1.00 0.00 C ATOM 1455 OG SER A 96 -20.593 15.987 6.416 1.00 0.00 O ATOM 0 H SER A 96 -18.550 17.708 6.032 1.00 0.00 H new ATOM 0 HA SER A 96 -19.455 15.954 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.980 17.904 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.704 16.630 4.803 1.00 0.00 H new ATOM 0 HG SER A 96 -21.374 15.986 7.008 1.00 0.00 H new ATOM 1461 N SER A 97 -20.738 17.421 2.307 1.00 0.00 N ATOM 1462 CA SER A 97 -21.110 18.210 1.145 1.00 0.00 C ATOM 1463 C SER A 97 -19.873 18.505 0.295 1.00 0.00 C ATOM 1464 O SER A 97 -18.744 18.327 0.752 1.00 0.00 O ATOM 1465 CB SER A 97 -21.792 19.515 1.560 1.00 0.00 C ATOM 1466 OG SER A 97 -22.956 19.779 0.782 1.00 0.00 O ATOM 0 H SER A 97 -21.157 16.492 2.344 1.00 0.00 H new ATOM 0 HA SER A 97 -21.821 17.633 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 97 -22.065 19.463 2.614 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.089 20.341 1.453 1.00 0.00 H new ATOM 0 HG SER A 97 -23.364 20.619 1.078 1.00 0.00 H new ATOM 1472 N GLY A 98 -20.126 18.951 -0.927 1.00 0.00 N ATOM 1473 CA GLY A 98 -19.047 19.272 -1.845 1.00 0.00 C ATOM 1474 C GLY A 98 -19.190 18.493 -3.153 1.00 0.00 C ATOM 1475 O GLY A 98 -18.218 18.324 -3.889 1.00 0.00 O ATOM 0 H GLY A 98 -21.063 19.098 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -19.048 20.342 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.089 19.038 -1.381 1.00 0.00 H new TER 1479 GLY A 98