USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 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 1 MET CE :methyl -164:sc= -6.75! (180deg=-7.41!) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0126 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 108:sc= 1.01 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -2.83 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.15 F(o=-1.8,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -39:sc= 0.811 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -13.8! C(o=-15!,f=-14!) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc=-0.00659 (180deg=-0.0918) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.921 4.080 -7.428 1.00 0.00 N ATOM 37 CA MET A 1 12.533 3.662 -7.523 1.00 0.00 C ATOM 38 C MET A 1 11.930 4.061 -8.871 1.00 0.00 C ATOM 39 O MET A 1 12.253 5.118 -9.411 1.00 0.00 O ATOM 40 CB MET A 1 11.727 4.306 -6.393 1.00 0.00 C ATOM 41 CG MET A 1 10.371 4.802 -6.899 1.00 0.00 C ATOM 42 SD MET A 1 9.259 5.048 -5.525 1.00 0.00 S ATOM 43 CE MET A 1 9.125 3.370 -4.931 1.00 0.00 C ATOM 0 H1 MET A 1 14.143 4.326 -6.442 1.00 0.00 H new ATOM 0 H2 MET A 1 14.539 3.304 -7.739 1.00 0.00 H new ATOM 0 H3 MET A 1 14.076 4.910 -8.035 1.00 0.00 H new ATOM 0 HA MET A 1 12.494 2.576 -7.436 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.577 3.583 -5.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.288 5.139 -5.971 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.498 5.736 -7.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.947 4.079 -7.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.264 3.287 -4.267 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.998 2.694 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.031 3.103 -4.386 1.00 0.00 H new ATOM 53 N ASP A 2 11.065 3.194 -9.377 1.00 0.00 N ATOM 54 CA ASP A 2 10.414 3.443 -10.652 1.00 0.00 C ATOM 55 C ASP A 2 9.086 2.684 -10.699 1.00 0.00 C ATOM 56 O ASP A 2 8.889 1.725 -9.954 1.00 0.00 O ATOM 57 CB ASP A 2 11.279 2.956 -11.816 1.00 0.00 C ATOM 58 CG ASP A 2 12.549 2.207 -11.408 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.434 2.867 -10.822 1.00 0.00 O ATOM 60 OD2 ASP A 2 12.607 0.991 -11.693 1.00 0.00 O ATOM 0 H ASP A 2 10.800 2.318 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 2 10.255 4.517 -10.746 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.677 2.303 -12.448 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.561 3.816 -12.424 1.00 0.00 H new ATOM 65 N LEU A 3 8.210 3.142 -11.581 1.00 0.00 N ATOM 66 CA LEU A 3 6.907 2.518 -11.735 1.00 0.00 C ATOM 67 C LEU A 3 7.091 1.027 -12.023 1.00 0.00 C ATOM 68 O LEU A 3 6.408 0.189 -11.436 1.00 0.00 O ATOM 69 CB LEU A 3 6.084 3.252 -12.796 1.00 0.00 C ATOM 70 CG LEU A 3 5.266 4.447 -12.301 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.105 3.989 -11.416 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.159 5.467 -11.593 1.00 0.00 C ATOM 0 H LEU A 3 8.377 3.938 -12.196 1.00 0.00 H new ATOM 0 HA LEU A 3 6.335 2.596 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.761 3.599 -13.577 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.403 2.537 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 3 4.832 4.946 -13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.540 4.858 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.450 3.330 -11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.496 3.452 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.553 6.306 -11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.642 4.996 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.920 5.827 -12.286 1.00 0.00 H new ATOM 84 N GLU A 4 8.018 0.741 -12.926 1.00 0.00 N ATOM 85 CA GLU A 4 8.300 -0.635 -13.298 1.00 0.00 C ATOM 86 C GLU A 4 8.865 -1.403 -12.102 1.00 0.00 C ATOM 87 O GLU A 4 8.545 -2.574 -11.905 1.00 0.00 O ATOM 88 CB GLU A 4 9.257 -0.694 -14.490 1.00 0.00 C ATOM 89 CG GLU A 4 8.554 -0.267 -15.780 1.00 0.00 C ATOM 90 CD GLU A 4 9.419 -0.575 -17.004 1.00 0.00 C ATOM 91 OE1 GLU A 4 10.658 -0.485 -16.861 1.00 0.00 O ATOM 92 OE2 GLU A 4 8.823 -0.893 -18.056 1.00 0.00 O ATOM 0 H GLU A 4 8.583 1.438 -13.411 1.00 0.00 H new ATOM 0 HA GLU A 4 7.366 -1.109 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.113 -0.045 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.644 -1.707 -14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.599 -0.784 -15.866 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.336 0.800 -15.743 1.00 0.00 H new ATOM 99 N THR A 5 9.697 -0.713 -11.335 1.00 0.00 N ATOM 100 CA THR A 5 10.309 -1.316 -10.164 1.00 0.00 C ATOM 101 C THR A 5 9.245 -1.647 -9.116 1.00 0.00 C ATOM 102 O THR A 5 9.286 -2.711 -8.500 1.00 0.00 O ATOM 103 CB THR A 5 11.390 -0.362 -9.652 1.00 0.00 C ATOM 104 OG1 THR A 5 12.599 -0.881 -10.198 1.00 0.00 O ATOM 105 CG2 THR A 5 11.591 -0.463 -8.138 1.00 0.00 C ATOM 0 H THR A 5 9.961 0.258 -11.502 1.00 0.00 H new ATOM 0 HA THR A 5 10.783 -2.266 -10.411 1.00 0.00 H new ATOM 0 HB THR A 5 11.124 0.662 -9.915 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.921 -0.285 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.369 0.235 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.659 -0.217 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.889 -1.479 -7.877 1.00 0.00 H new ATOM 113 N LEU A 6 8.317 -0.717 -8.947 1.00 0.00 N ATOM 114 CA LEU A 6 7.243 -0.897 -7.984 1.00 0.00 C ATOM 115 C LEU A 6 6.484 -2.184 -8.309 1.00 0.00 C ATOM 116 O LEU A 6 6.152 -2.957 -7.412 1.00 0.00 O ATOM 117 CB LEU A 6 6.353 0.347 -7.936 1.00 0.00 C ATOM 118 CG LEU A 6 6.923 1.550 -7.182 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.726 2.841 -7.979 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.327 1.649 -5.776 1.00 0.00 C ATOM 0 H LEU A 6 8.286 0.164 -9.461 1.00 0.00 H new ATOM 0 HA LEU A 6 7.647 -1.010 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.136 0.654 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.403 0.072 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 6 7.997 1.403 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.140 3.680 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.236 2.757 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.662 3.006 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.749 2.512 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.245 1.762 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.562 0.743 -5.217 1.00 0.00 H new ATOM 132 N ARG A 7 6.229 -2.375 -9.596 1.00 0.00 N ATOM 133 CA ARG A 7 5.515 -3.556 -10.050 1.00 0.00 C ATOM 134 C ARG A 7 6.318 -4.818 -9.730 1.00 0.00 C ATOM 135 O ARG A 7 5.752 -5.831 -9.320 1.00 0.00 O ATOM 136 CB ARG A 7 5.252 -3.495 -11.556 1.00 0.00 C ATOM 137 CG ARG A 7 4.973 -2.060 -12.007 1.00 0.00 C ATOM 138 CD ARG A 7 3.820 -2.015 -13.012 1.00 0.00 C ATOM 139 NE ARG A 7 4.353 -1.925 -14.389 1.00 0.00 N ATOM 140 CZ ARG A 7 4.685 -2.986 -15.138 1.00 0.00 C ATOM 141 NH1 ARG A 7 4.541 -4.224 -14.646 1.00 0.00 N ATOM 142 NH2 ARG A 7 5.161 -2.808 -16.378 1.00 0.00 N ATOM 0 H ARG A 7 6.504 -1.731 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 7 4.559 -3.587 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.114 -3.888 -12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.402 -4.130 -11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.730 -1.444 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.870 -1.636 -12.458 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.202 -2.907 -12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.179 -1.158 -12.805 1.00 0.00 H new ATOM 0 HE ARG A 7 4.476 -0.997 -14.794 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.179 -4.359 -13.702 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.793 -5.032 -15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.271 -1.865 -16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.414 -3.615 -16.948 1.00 0.00 H new ATOM 156 N ALA A 8 7.624 -4.717 -9.929 1.00 0.00 N ATOM 157 CA ALA A 8 8.510 -5.838 -9.666 1.00 0.00 C ATOM 158 C ALA A 8 8.484 -6.164 -8.172 1.00 0.00 C ATOM 159 O ALA A 8 8.279 -7.313 -7.786 1.00 0.00 O ATOM 160 CB ALA A 8 9.917 -5.505 -10.167 1.00 0.00 C ATOM 0 H ALA A 8 8.090 -3.876 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 8 8.175 -6.726 -10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.582 -6.346 -9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.885 -5.311 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.288 -4.620 -9.649 1.00 0.00 H new ATOM 166 N ARG A 9 8.697 -5.130 -7.370 1.00 0.00 N ATOM 167 CA ARG A 9 8.701 -5.291 -5.926 1.00 0.00 C ATOM 168 C ARG A 9 7.288 -5.594 -5.422 1.00 0.00 C ATOM 169 O ARG A 9 7.119 -6.267 -4.406 1.00 0.00 O ATOM 170 CB ARG A 9 9.224 -4.032 -5.232 1.00 0.00 C ATOM 171 CG ARG A 9 8.452 -2.793 -5.691 1.00 0.00 C ATOM 172 CD ARG A 9 7.276 -2.503 -4.756 1.00 0.00 C ATOM 173 NE ARG A 9 7.753 -2.402 -3.358 1.00 0.00 N ATOM 174 CZ ARG A 9 6.962 -2.127 -2.312 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.650 -1.924 -2.499 1.00 0.00 N ATOM 176 NH2 ARG A 9 7.482 -2.055 -1.080 1.00 0.00 N ATOM 0 H ARG A 9 8.868 -4.178 -7.693 1.00 0.00 H new ATOM 0 HA ARG A 9 9.362 -6.124 -5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.132 -4.143 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.284 -3.906 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.121 -1.933 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.085 -2.944 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.787 -1.574 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.531 -3.295 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 9 8.746 -2.551 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.254 -1.979 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.048 -1.715 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.480 -2.209 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.880 -1.846 -0.284 1.00 0.00 H new ATOM 190 N ARG A 10 6.310 -5.082 -6.154 1.00 0.00 N ATOM 191 CA ARG A 10 4.918 -5.289 -5.794 1.00 0.00 C ATOM 192 C ARG A 10 4.611 -6.784 -5.697 1.00 0.00 C ATOM 193 O ARG A 10 3.928 -7.223 -4.774 1.00 0.00 O ATOM 194 CB ARG A 10 3.982 -4.648 -6.821 1.00 0.00 C ATOM 195 CG ARG A 10 2.994 -3.697 -6.144 1.00 0.00 C ATOM 196 CD ARG A 10 3.650 -2.348 -5.843 1.00 0.00 C ATOM 197 NE ARG A 10 3.124 -1.313 -6.762 1.00 0.00 N ATOM 198 CZ ARG A 10 1.843 -0.925 -6.802 1.00 0.00 C ATOM 199 NH1 ARG A 10 0.948 -1.482 -5.975 1.00 0.00 N ATOM 200 NH2 ARG A 10 1.456 0.021 -7.668 1.00 0.00 N ATOM 0 H ARG A 10 6.454 -4.524 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 10 4.753 -4.818 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.567 -4.103 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.436 -5.425 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.127 -3.548 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.630 -4.143 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.455 -2.062 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.732 -2.428 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 10 3.779 -0.868 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.242 -2.202 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.028 -1.186 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.137 0.446 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.480 0.316 -7.698 1.00 0.00 H new ATOM 214 N GLU A 11 5.132 -7.526 -6.664 1.00 0.00 N ATOM 215 CA GLU A 11 4.923 -8.964 -6.699 1.00 0.00 C ATOM 216 C GLU A 11 5.465 -9.611 -5.423 1.00 0.00 C ATOM 217 O GLU A 11 4.779 -10.413 -4.791 1.00 0.00 O ATOM 218 CB GLU A 11 5.566 -9.581 -7.943 1.00 0.00 C ATOM 219 CG GLU A 11 4.511 -9.906 -9.002 1.00 0.00 C ATOM 220 CD GLU A 11 3.941 -11.311 -8.795 1.00 0.00 C ATOM 221 OE1 GLU A 11 3.029 -11.435 -7.950 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.431 -12.230 -9.487 1.00 0.00 O ATOM 0 H GLU A 11 5.698 -7.158 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 11 3.851 -9.155 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.301 -8.891 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.101 -10.489 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.706 -9.173 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.953 -9.832 -9.996 1.00 0.00 H new ATOM 229 N ALA A 12 6.690 -9.238 -5.083 1.00 0.00 N ATOM 230 CA ALA A 12 7.331 -9.772 -3.894 1.00 0.00 C ATOM 231 C ALA A 12 6.689 -9.152 -2.651 1.00 0.00 C ATOM 232 O ALA A 12 6.538 -9.819 -1.628 1.00 0.00 O ATOM 233 CB ALA A 12 8.837 -9.509 -3.964 1.00 0.00 C ATOM 0 H ALA A 12 7.255 -8.573 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 12 7.190 -10.851 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.318 -9.910 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.250 -9.994 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.017 -8.435 -4.022 1.00 0.00 H new ATOM 239 N VAL A 13 6.328 -7.884 -2.780 1.00 0.00 N ATOM 240 CA VAL A 13 5.705 -7.167 -1.681 1.00 0.00 C ATOM 241 C VAL A 13 4.344 -7.796 -1.373 1.00 0.00 C ATOM 242 O VAL A 13 3.989 -7.976 -0.210 1.00 0.00 O ATOM 243 CB VAL A 13 5.614 -5.676 -2.013 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.649 -4.962 -1.064 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.997 -5.023 -1.984 1.00 0.00 C ATOM 0 H VAL A 13 6.455 -7.334 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 13 6.312 -7.249 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 13 5.220 -5.580 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.602 -3.904 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.656 -5.402 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.000 -5.071 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.904 -3.964 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.431 -5.134 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.643 -5.506 -2.718 1.00 0.00 H new ATOM 255 N LEU A 14 3.620 -8.111 -2.437 1.00 0.00 N ATOM 256 CA LEU A 14 2.307 -8.715 -2.296 1.00 0.00 C ATOM 257 C LEU A 14 2.430 -10.013 -1.495 1.00 0.00 C ATOM 258 O LEU A 14 1.619 -10.281 -0.610 1.00 0.00 O ATOM 259 CB LEU A 14 1.651 -8.899 -3.666 1.00 0.00 C ATOM 260 CG LEU A 14 0.655 -7.814 -4.083 1.00 0.00 C ATOM 261 CD1 LEU A 14 1.049 -7.196 -5.426 1.00 0.00 C ATOM 262 CD2 LEU A 14 -0.774 -8.359 -4.100 1.00 0.00 C ATOM 0 H LEU A 14 3.918 -7.959 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 14 1.644 -8.056 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.437 -8.952 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.136 -9.860 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 14 0.686 -7.017 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.325 -6.428 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.039 -6.748 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.063 -7.971 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.462 -7.568 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.840 -9.185 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.040 -8.713 -3.104 1.00 0.00 H new ATOM 274 N SER A 15 3.453 -10.785 -1.834 1.00 0.00 N ATOM 275 CA SER A 15 3.693 -12.048 -1.157 1.00 0.00 C ATOM 276 C SER A 15 4.041 -11.798 0.311 1.00 0.00 C ATOM 277 O SER A 15 3.618 -12.547 1.190 1.00 0.00 O ATOM 278 CB SER A 15 4.813 -12.835 -1.842 1.00 0.00 C ATOM 279 OG SER A 15 4.379 -14.126 -2.262 1.00 0.00 O ATOM 0 H SER A 15 4.124 -10.560 -2.568 1.00 0.00 H new ATOM 0 HA SER A 15 2.781 -12.643 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.174 -12.275 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.654 -12.940 -1.156 1.00 0.00 H new ATOM 0 HG SER A 15 5.122 -14.596 -2.696 1.00 0.00 H new ATOM 285 N LEU A 16 4.810 -10.741 0.532 1.00 0.00 N ATOM 286 CA LEU A 16 5.220 -10.382 1.879 1.00 0.00 C ATOM 287 C LEU A 16 4.049 -9.714 2.603 1.00 0.00 C ATOM 288 O LEU A 16 3.836 -9.947 3.792 1.00 0.00 O ATOM 289 CB LEU A 16 6.489 -9.528 1.843 1.00 0.00 C ATOM 290 CG LEU A 16 6.559 -8.388 2.862 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.953 -7.759 2.884 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.466 -7.351 2.599 1.00 0.00 C ATOM 0 H LEU A 16 5.160 -10.122 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 16 5.480 -11.274 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.347 -10.181 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.589 -9.103 0.844 1.00 0.00 H new ATOM 0 HG LEU A 16 6.377 -8.803 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.976 -6.952 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.689 -8.516 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.188 -7.361 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.538 -6.552 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.592 -6.935 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.488 -7.826 2.673 1.00 0.00 H new ATOM 304 N CYS A 17 3.321 -8.897 1.855 1.00 0.00 N ATOM 305 CA CYS A 17 2.178 -8.194 2.411 1.00 0.00 C ATOM 306 C CYS A 17 1.202 -9.231 2.972 1.00 0.00 C ATOM 307 O CYS A 17 0.648 -9.045 4.055 1.00 0.00 O ATOM 308 CB CYS A 17 1.512 -7.288 1.374 1.00 0.00 C ATOM 309 SG CYS A 17 2.070 -5.560 1.603 1.00 0.00 S ATOM 0 H CYS A 17 3.501 -8.707 0.869 1.00 0.00 H new ATOM 0 HA CYS A 17 2.509 -7.536 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.760 -7.629 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.428 -7.345 1.472 1.00 0.00 H new ATOM 0 HG CYS A 17 1.501 -4.799 0.716 1.00 0.00 H new ATOM 315 N ALA A 18 1.022 -10.300 2.211 1.00 0.00 N ATOM 316 CA ALA A 18 0.124 -11.366 2.619 1.00 0.00 C ATOM 317 C ALA A 18 0.596 -11.943 3.955 1.00 0.00 C ATOM 318 O ALA A 18 -0.218 -12.353 4.781 1.00 0.00 O ATOM 319 CB ALA A 18 0.057 -12.427 1.518 1.00 0.00 C ATOM 0 H ALA A 18 1.483 -10.451 1.314 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.886 -10.981 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.617 -13.227 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.312 -11.974 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.052 -12.837 1.347 1.00 0.00 H new ATOM 325 N ARG A 19 1.910 -11.955 4.127 1.00 0.00 N ATOM 326 CA ARG A 19 2.500 -12.474 5.349 1.00 0.00 C ATOM 327 C ARG A 19 2.287 -11.490 6.501 1.00 0.00 C ATOM 328 O ARG A 19 2.241 -11.890 7.663 1.00 0.00 O ATOM 329 CB ARG A 19 3.999 -12.725 5.173 1.00 0.00 C ATOM 330 CG ARG A 19 4.301 -14.224 5.118 1.00 0.00 C ATOM 331 CD ARG A 19 4.650 -14.662 3.695 1.00 0.00 C ATOM 332 NE ARG A 19 3.420 -15.040 2.965 1.00 0.00 N ATOM 333 CZ ARG A 19 3.395 -15.419 1.680 1.00 0.00 C ATOM 334 NH1 ARG A 19 4.533 -15.474 0.975 1.00 0.00 N ATOM 335 NH2 ARG A 19 2.232 -15.745 1.100 1.00 0.00 N ATOM 0 H ARG A 19 2.582 -11.614 3.440 1.00 0.00 H new ATOM 0 HA ARG A 19 2.009 -13.420 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.346 -12.247 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.547 -12.270 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.130 -14.456 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.437 -14.786 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.159 -13.853 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.339 -15.506 3.724 1.00 0.00 H new ATOM 0 HE ARG A 19 2.535 -15.010 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.419 -15.227 1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.514 -15.763 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.366 -15.705 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.213 -16.033 0.122 1.00 0.00 H new ATOM 349 N HIS A 20 2.162 -10.221 6.138 1.00 0.00 N ATOM 350 CA HIS A 20 1.955 -9.177 7.127 1.00 0.00 C ATOM 351 C HIS A 20 0.463 -8.853 7.226 1.00 0.00 C ATOM 352 O HIS A 20 0.072 -7.919 7.925 1.00 0.00 O ATOM 353 CB HIS A 20 2.808 -7.948 6.807 1.00 0.00 C ATOM 354 CG HIS A 20 4.280 -8.131 7.094 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.269 -8.701 6.349 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.873 -7.701 8.268 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.406 -8.623 7.030 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.162 -8.004 8.220 1.00 0.00 N flip ATOM 0 H HIS A 20 2.200 -9.893 5.173 1.00 0.00 H new ATOM 0 HA HIS A 20 2.281 -9.529 8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.682 -7.695 5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.438 -7.101 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.371 -7.203 9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.366 -8.989 6.696 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.851 -7.808 8.946 1.00 0.00 H new ATOM 366 N GLY A 21 -0.330 -9.643 6.516 1.00 0.00 N ATOM 367 CA GLY A 21 -1.770 -9.451 6.515 1.00 0.00 C ATOM 368 C GLY A 21 -2.173 -8.326 5.560 1.00 0.00 C ATOM 369 O GLY A 21 -2.519 -7.230 5.998 1.00 0.00 O ATOM 0 H GLY A 21 -0.002 -10.417 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.264 -10.377 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.110 -9.216 7.524 1.00 0.00 H new ATOM 373 N ALA A 22 -2.116 -8.636 4.273 1.00 0.00 N ATOM 374 CA ALA A 22 -2.471 -7.665 3.253 1.00 0.00 C ATOM 375 C ALA A 22 -2.874 -8.400 1.973 1.00 0.00 C ATOM 376 O ALA A 22 -2.032 -8.675 1.119 1.00 0.00 O ATOM 377 CB ALA A 22 -1.299 -6.707 3.030 1.00 0.00 C ATOM 0 H ALA A 22 -1.829 -9.546 3.914 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.325 -7.068 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.565 -5.978 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.071 -6.188 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.425 -7.271 2.705 1.00 0.00 H new ATOM 383 N VAL A 23 -4.162 -8.698 1.881 1.00 0.00 N ATOM 384 CA VAL A 23 -4.687 -9.397 0.720 1.00 0.00 C ATOM 385 C VAL A 23 -5.113 -8.374 -0.336 1.00 0.00 C ATOM 386 O VAL A 23 -4.994 -8.626 -1.533 1.00 0.00 O ATOM 387 CB VAL A 23 -5.823 -10.331 1.140 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.274 -11.621 1.752 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.780 -9.630 2.106 1.00 0.00 C ATOM 0 H VAL A 23 -4.857 -8.468 2.591 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.917 -10.025 0.272 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.386 -10.598 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.102 -12.267 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.652 -12.135 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.676 -11.381 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.578 -10.316 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.235 -9.320 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.210 -8.754 1.621 1.00 0.00 H new ATOM 399 N ARG A 24 -5.602 -7.241 0.148 1.00 0.00 N ATOM 400 CA ARG A 24 -6.047 -6.179 -0.739 1.00 0.00 C ATOM 401 C ARG A 24 -4.898 -5.210 -1.024 1.00 0.00 C ATOM 402 O ARG A 24 -5.033 -4.005 -0.820 1.00 0.00 O ATOM 403 CB ARG A 24 -7.217 -5.406 -0.128 1.00 0.00 C ATOM 404 CG ARG A 24 -8.557 -5.987 -0.586 1.00 0.00 C ATOM 405 CD ARG A 24 -9.621 -4.892 -0.693 1.00 0.00 C ATOM 406 NE ARG A 24 -9.996 -4.687 -2.110 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.168 -4.177 -2.510 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.086 -3.816 -1.604 1.00 0.00 N ATOM 409 NH2 ARG A 24 -11.422 -4.026 -3.817 1.00 0.00 N ATOM 0 H ARG A 24 -5.700 -7.036 1.142 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.377 -6.640 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.153 -5.443 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.154 -4.357 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.434 -6.476 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.886 -6.751 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.500 -5.170 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.241 -3.962 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.320 -4.951 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.893 -3.929 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.978 -3.428 -1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.723 -4.300 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.315 -3.638 -4.122 1.00 0.00 H new ATOM 423 N VAL A 25 -3.793 -5.773 -1.492 1.00 0.00 N ATOM 424 CA VAL A 25 -2.622 -4.974 -1.808 1.00 0.00 C ATOM 425 C VAL A 25 -2.899 -4.145 -3.063 1.00 0.00 C ATOM 426 O VAL A 25 -2.392 -4.454 -4.140 1.00 0.00 O ATOM 427 CB VAL A 25 -1.394 -5.877 -1.946 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.117 -5.047 -2.094 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.287 -6.842 -0.764 1.00 0.00 C ATOM 0 H VAL A 25 -3.685 -6.773 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.406 -4.276 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.515 -6.470 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.741 -5.713 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.191 -4.420 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.011 -4.416 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.406 -7.472 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.201 -6.274 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.178 -7.468 -0.724 1.00 0.00 H new ATOM 439 N ARG A 26 -3.702 -3.107 -2.883 1.00 0.00 N ATOM 440 CA ARG A 26 -4.053 -2.231 -3.987 1.00 0.00 C ATOM 441 C ARG A 26 -3.401 -0.858 -3.804 1.00 0.00 C ATOM 442 O ARG A 26 -3.094 -0.458 -2.682 1.00 0.00 O ATOM 443 CB ARG A 26 -5.569 -2.057 -4.093 1.00 0.00 C ATOM 444 CG ARG A 26 -6.207 -3.240 -4.825 1.00 0.00 C ATOM 445 CD ARG A 26 -7.237 -3.942 -3.939 1.00 0.00 C ATOM 446 NE ARG A 26 -7.228 -5.398 -4.207 1.00 0.00 N ATOM 447 CZ ARG A 26 -7.918 -5.984 -5.195 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.677 -5.243 -6.013 1.00 0.00 N ATOM 449 NH2 ARG A 26 -7.849 -7.311 -5.364 1.00 0.00 N ATOM 0 H ARG A 26 -4.120 -2.853 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.687 -2.692 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.999 -1.967 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.796 -1.132 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.687 -2.891 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.434 -3.949 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.012 -3.756 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.230 -3.535 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.661 -5.992 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.730 -4.233 -5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.202 -5.689 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.271 -7.875 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.374 -7.757 -6.116 1.00 0.00 H new ATOM 463 N VAL A 27 -3.209 -0.176 -4.923 1.00 0.00 N ATOM 464 CA VAL A 27 -2.600 1.143 -4.900 1.00 0.00 C ATOM 465 C VAL A 27 -3.670 2.200 -5.182 1.00 0.00 C ATOM 466 O VAL A 27 -4.260 2.218 -6.262 1.00 0.00 O ATOM 467 CB VAL A 27 -1.431 1.197 -5.886 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.792 0.505 -7.202 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.985 2.640 -6.129 1.00 0.00 C ATOM 0 H VAL A 27 -3.464 -0.512 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.186 1.355 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.593 0.658 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.944 0.557 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.038 -0.539 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.651 1.003 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.153 2.650 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.816 3.213 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.668 3.086 -5.187 1.00 0.00 H new ATOM 479 N PHE A 28 -3.887 3.055 -4.194 1.00 0.00 N ATOM 480 CA PHE A 28 -4.875 4.112 -4.323 1.00 0.00 C ATOM 481 C PHE A 28 -4.240 5.486 -4.101 1.00 0.00 C ATOM 482 O PHE A 28 -3.297 5.620 -3.323 1.00 0.00 O ATOM 483 CB PHE A 28 -5.932 3.871 -3.242 1.00 0.00 C ATOM 484 CG PHE A 28 -5.595 4.504 -1.891 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.800 5.834 -1.693 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.091 3.737 -0.887 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.487 6.421 -0.438 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.779 4.324 0.367 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.983 5.654 0.565 1.00 0.00 C ATOM 0 H PHE A 28 -3.395 3.037 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.306 4.098 -5.324 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.887 4.265 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.060 2.797 -3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.201 6.443 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.928 2.681 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.649 7.477 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.380 3.714 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.745 6.101 1.519 1.00 0.00 H new ATOM 499 N GLY A 29 -4.783 6.473 -4.798 1.00 0.00 N ATOM 500 CA GLY A 29 -4.282 7.832 -4.687 1.00 0.00 C ATOM 501 C GLY A 29 -3.600 8.273 -5.984 1.00 0.00 C ATOM 502 O GLY A 29 -3.675 7.578 -6.996 1.00 0.00 O ATOM 0 H GLY A 29 -5.566 6.358 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.105 8.509 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.575 7.896 -3.860 1.00 0.00 H new ATOM 506 N SER A 30 -2.949 9.425 -5.911 1.00 0.00 N ATOM 507 CA SER A 30 -2.254 9.966 -7.067 1.00 0.00 C ATOM 508 C SER A 30 -1.183 8.982 -7.542 1.00 0.00 C ATOM 509 O SER A 30 -0.940 8.854 -8.741 1.00 0.00 O ATOM 510 CB SER A 30 -1.623 11.322 -6.745 1.00 0.00 C ATOM 511 OG SER A 30 -2.303 12.394 -7.392 1.00 0.00 O ATOM 0 H SER A 30 -2.888 9.998 -5.070 1.00 0.00 H new ATOM 0 HA SER A 30 -2.982 10.114 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.637 11.482 -5.667 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.577 11.318 -7.053 1.00 0.00 H new ATOM 0 HG SER A 30 -1.871 13.243 -7.160 1.00 0.00 H new ATOM 517 N VAL A 31 -0.572 8.311 -6.577 1.00 0.00 N ATOM 518 CA VAL A 31 0.467 7.342 -6.881 1.00 0.00 C ATOM 519 C VAL A 31 -0.107 6.254 -7.791 1.00 0.00 C ATOM 520 O VAL A 31 0.590 5.738 -8.664 1.00 0.00 O ATOM 521 CB VAL A 31 1.061 6.786 -5.585 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.944 7.827 -4.896 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.041 6.292 -4.645 1.00 0.00 C ATOM 0 H VAL A 31 -0.777 8.419 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 31 1.287 7.818 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 31 1.689 5.933 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.354 7.406 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.760 8.110 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.349 8.708 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.408 5.902 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.706 7.119 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.611 5.502 -5.135 1.00 0.00 H new ATOM 533 N ALA A 32 -1.372 5.937 -7.556 1.00 0.00 N ATOM 534 CA ALA A 32 -2.047 4.919 -8.343 1.00 0.00 C ATOM 535 C ALA A 32 -2.051 5.338 -9.814 1.00 0.00 C ATOM 536 O ALA A 32 -1.926 4.498 -10.703 1.00 0.00 O ATOM 537 CB ALA A 32 -3.459 4.703 -7.794 1.00 0.00 C ATOM 0 H ALA A 32 -1.947 6.367 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.521 3.967 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.966 3.939 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.400 4.379 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.018 5.637 -7.851 1.00 0.00 H new ATOM 543 N ARG A 33 -2.197 6.638 -10.026 1.00 0.00 N ATOM 544 CA ARG A 33 -2.219 7.179 -11.374 1.00 0.00 C ATOM 545 C ARG A 33 -0.792 7.411 -11.877 1.00 0.00 C ATOM 546 O ARG A 33 -0.591 8.019 -12.926 1.00 0.00 O ATOM 547 CB ARG A 33 -2.991 8.499 -11.425 1.00 0.00 C ATOM 548 CG ARG A 33 -4.371 8.303 -12.057 1.00 0.00 C ATOM 549 CD ARG A 33 -4.799 9.548 -12.836 1.00 0.00 C ATOM 550 NE ARG A 33 -5.712 9.167 -13.937 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.207 10.029 -14.835 1.00 0.00 C ATOM 552 NH1 ARG A 33 -5.882 11.328 -14.767 1.00 0.00 N ATOM 553 NH2 ARG A 33 -7.029 9.594 -15.800 1.00 0.00 N ATOM 0 H ARG A 33 -2.301 7.332 -9.286 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.720 6.453 -12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.102 8.899 -10.417 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.425 9.233 -11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.350 7.441 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.104 8.086 -11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.295 10.252 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.922 10.055 -13.239 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.981 8.186 -14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.258 11.660 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.259 11.984 -15.451 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.278 8.606 -15.851 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.406 10.251 -16.484 1.00 0.00 H new ATOM 567 N GLY A 34 0.162 6.913 -11.103 1.00 0.00 N ATOM 568 CA GLY A 34 1.563 7.058 -11.457 1.00 0.00 C ATOM 569 C GLY A 34 2.073 8.459 -11.114 1.00 0.00 C ATOM 570 O GLY A 34 3.161 8.848 -11.535 1.00 0.00 O ATOM 0 H GLY A 34 -0.008 6.409 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.155 6.312 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.694 6.870 -12.523 1.00 0.00 H new ATOM 574 N GLU A 35 1.263 9.179 -10.352 1.00 0.00 N ATOM 575 CA GLU A 35 1.618 10.529 -9.948 1.00 0.00 C ATOM 576 C GLU A 35 2.403 10.500 -8.635 1.00 0.00 C ATOM 577 O GLU A 35 1.941 9.937 -7.643 1.00 0.00 O ATOM 578 CB GLU A 35 0.373 11.410 -9.823 1.00 0.00 C ATOM 579 CG GLU A 35 -0.252 11.673 -11.195 1.00 0.00 C ATOM 580 CD GLU A 35 0.214 13.016 -11.760 1.00 0.00 C ATOM 581 OE1 GLU A 35 -0.255 14.047 -11.233 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.029 12.981 -12.708 1.00 0.00 O ATOM 0 H GLU A 35 0.362 8.853 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 35 2.253 10.963 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.356 10.925 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.639 12.357 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.019 10.871 -11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.339 11.667 -11.111 1.00 0.00 H new ATOM 589 N ALA A 36 3.576 11.115 -8.670 1.00 0.00 N ATOM 590 CA ALA A 36 4.429 11.166 -7.495 1.00 0.00 C ATOM 591 C ALA A 36 5.654 12.032 -7.797 1.00 0.00 C ATOM 592 O ALA A 36 6.116 12.085 -8.936 1.00 0.00 O ATOM 593 CB ALA A 36 4.809 9.745 -7.077 1.00 0.00 C ATOM 0 H ALA A 36 3.956 11.582 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 36 3.901 11.622 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.449 9.784 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.906 9.180 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.343 9.257 -7.892 1.00 0.00 H new ATOM 599 N ARG A 37 6.145 12.690 -6.757 1.00 0.00 N ATOM 600 CA ARG A 37 7.307 13.551 -6.897 1.00 0.00 C ATOM 601 C ARG A 37 8.387 13.153 -5.889 1.00 0.00 C ATOM 602 O ARG A 37 8.234 12.170 -5.166 1.00 0.00 O ATOM 603 CB ARG A 37 6.934 15.019 -6.682 1.00 0.00 C ATOM 604 CG ARG A 37 5.973 15.173 -5.502 1.00 0.00 C ATOM 605 CD ARG A 37 6.066 16.576 -4.899 1.00 0.00 C ATOM 606 NE ARG A 37 5.079 17.471 -5.545 1.00 0.00 N ATOM 607 CZ ARG A 37 4.991 18.787 -5.308 1.00 0.00 C ATOM 608 NH1 ARG A 37 5.829 19.369 -4.439 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.065 19.521 -5.940 1.00 0.00 N ATOM 0 H ARG A 37 5.759 12.644 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 37 7.689 13.430 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.835 15.604 -6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.473 15.417 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.952 14.982 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.205 14.429 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.882 16.532 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.072 16.973 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 37 4.425 17.060 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.534 18.810 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.762 20.371 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.427 19.078 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.998 20.523 -5.760 1.00 0.00 H new ATOM 623 N GLU A 38 9.455 13.938 -5.873 1.00 0.00 N ATOM 624 CA GLU A 38 10.560 13.680 -4.965 1.00 0.00 C ATOM 625 C GLU A 38 10.208 14.153 -3.553 1.00 0.00 C ATOM 626 O GLU A 38 11.005 14.003 -2.628 1.00 0.00 O ATOM 627 CB GLU A 38 11.845 14.345 -5.463 1.00 0.00 C ATOM 628 CG GLU A 38 12.100 14.012 -6.934 1.00 0.00 C ATOM 629 CD GLU A 38 12.953 15.093 -7.601 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.349 16.084 -8.067 1.00 0.00 O ATOM 631 OE2 GLU A 38 14.188 14.905 -7.629 1.00 0.00 O ATOM 0 H GLU A 38 9.578 14.753 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 38 10.736 12.605 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.771 15.425 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.689 14.011 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.603 13.048 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.150 13.918 -7.459 1.00 0.00 H new ATOM 638 N ASP A 39 9.015 14.715 -3.432 1.00 0.00 N ATOM 639 CA ASP A 39 8.548 15.212 -2.149 1.00 0.00 C ATOM 640 C ASP A 39 7.097 14.776 -1.935 1.00 0.00 C ATOM 641 O ASP A 39 6.269 15.564 -1.479 1.00 0.00 O ATOM 642 CB ASP A 39 8.595 16.740 -2.099 1.00 0.00 C ATOM 643 CG ASP A 39 9.025 17.330 -0.754 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.247 16.524 0.175 1.00 0.00 O ATOM 645 OD2 ASP A 39 9.121 18.575 -0.686 1.00 0.00 O ATOM 0 H ASP A 39 8.357 14.837 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 39 9.198 14.806 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.281 17.093 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.607 17.127 -2.350 1.00 0.00 H new ATOM 650 N SER A 40 6.833 13.523 -2.275 1.00 0.00 N ATOM 651 CA SER A 40 5.496 12.973 -2.126 1.00 0.00 C ATOM 652 C SER A 40 5.549 11.682 -1.307 1.00 0.00 C ATOM 653 O SER A 40 6.628 11.222 -0.937 1.00 0.00 O ATOM 654 CB SER A 40 4.853 12.711 -3.490 1.00 0.00 C ATOM 655 OG SER A 40 5.739 12.033 -4.376 1.00 0.00 O ATOM 0 H SER A 40 7.522 12.873 -2.653 1.00 0.00 H new ATOM 0 HA SER A 40 4.882 13.704 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.949 12.117 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.549 13.658 -3.936 1.00 0.00 H new ATOM 0 HG SER A 40 6.647 12.384 -4.262 1.00 0.00 H new ATOM 661 N ASP A 41 4.371 11.133 -1.049 1.00 0.00 N ATOM 662 CA ASP A 41 4.270 9.904 -0.281 1.00 0.00 C ATOM 663 C ASP A 41 3.567 8.838 -1.124 1.00 0.00 C ATOM 664 O ASP A 41 3.097 9.122 -2.224 1.00 0.00 O ATOM 665 CB ASP A 41 3.451 10.116 0.993 1.00 0.00 C ATOM 666 CG ASP A 41 2.486 11.303 0.951 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.414 11.141 0.329 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.842 12.345 1.542 1.00 0.00 O ATOM 0 H ASP A 41 3.478 11.517 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 41 5.279 9.590 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.880 9.210 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.137 10.254 1.829 1.00 0.00 H new ATOM 673 N LEU A 42 3.516 7.633 -0.574 1.00 0.00 N ATOM 674 CA LEU A 42 2.878 6.524 -1.261 1.00 0.00 C ATOM 675 C LEU A 42 1.648 6.078 -0.468 1.00 0.00 C ATOM 676 O LEU A 42 1.760 5.698 0.696 1.00 0.00 O ATOM 677 CB LEU A 42 3.885 5.400 -1.516 1.00 0.00 C ATOM 678 CG LEU A 42 3.720 4.637 -2.832 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.308 4.061 -2.958 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.088 5.518 -4.027 1.00 0.00 C ATOM 0 H LEU A 42 3.906 7.401 0.339 1.00 0.00 H new ATOM 0 HA LEU A 42 2.528 6.837 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.888 5.825 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.819 4.687 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 42 4.412 3.795 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.217 3.524 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.119 3.376 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.580 4.872 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.962 4.951 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.439 6.393 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.126 5.838 -3.937 1.00 0.00 H new ATOM 692 N ASP A 43 0.502 6.140 -1.131 1.00 0.00 N ATOM 693 CA ASP A 43 -0.748 5.747 -0.502 1.00 0.00 C ATOM 694 C ASP A 43 -1.181 4.384 -1.045 1.00 0.00 C ATOM 695 O ASP A 43 -1.500 4.254 -2.225 1.00 0.00 O ATOM 696 CB ASP A 43 -1.859 6.753 -0.810 1.00 0.00 C ATOM 697 CG ASP A 43 -1.640 8.155 -0.238 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.505 8.657 -0.385 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.612 8.693 0.334 1.00 0.00 O ATOM 0 H ASP A 43 0.413 6.456 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.586 5.707 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.968 6.831 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.800 6.362 -0.423 1.00 0.00 H new ATOM 704 N LEU A 44 -1.177 3.401 -0.156 1.00 0.00 N ATOM 705 CA LEU A 44 -1.565 2.052 -0.531 1.00 0.00 C ATOM 706 C LEU A 44 -2.573 1.514 0.487 1.00 0.00 C ATOM 707 O LEU A 44 -2.321 1.544 1.691 1.00 0.00 O ATOM 708 CB LEU A 44 -0.329 1.166 -0.699 1.00 0.00 C ATOM 709 CG LEU A 44 0.736 1.679 -1.670 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.092 1.029 -1.389 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.296 1.482 -3.122 1.00 0.00 C ATOM 0 H LEU A 44 -0.911 3.512 0.822 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.061 2.055 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.133 1.032 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.655 0.182 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 44 0.853 2.751 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.831 1.411 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.404 1.264 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.008 -0.052 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.071 1.855 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.133 0.421 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.630 2.029 -3.299 1.00 0.00 H new ATOM 723 N LEU A 45 -3.694 1.036 -0.033 1.00 0.00 N ATOM 724 CA LEU A 45 -4.741 0.492 0.816 1.00 0.00 C ATOM 725 C LEU A 45 -4.618 -1.032 0.856 1.00 0.00 C ATOM 726 O LEU A 45 -4.671 -1.691 -0.181 1.00 0.00 O ATOM 727 CB LEU A 45 -6.114 0.987 0.356 1.00 0.00 C ATOM 728 CG LEU A 45 -7.322 0.284 0.978 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.245 0.311 2.506 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.631 0.883 0.459 1.00 0.00 C ATOM 0 H LEU A 45 -3.900 1.014 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.626 0.848 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.186 2.052 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.173 0.879 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.303 -0.762 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.116 -0.195 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.338 -0.197 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.226 1.345 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.474 0.366 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.673 1.942 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.679 0.769 -0.624 1.00 0.00 H new ATOM 742 N VAL A 46 -4.456 -1.549 2.066 1.00 0.00 N ATOM 743 CA VAL A 46 -4.325 -2.983 2.255 1.00 0.00 C ATOM 744 C VAL A 46 -5.284 -3.437 3.358 1.00 0.00 C ATOM 745 O VAL A 46 -5.714 -2.631 4.182 1.00 0.00 O ATOM 746 CB VAL A 46 -2.867 -3.342 2.546 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.066 -3.478 1.250 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.226 -2.315 3.482 1.00 0.00 C ATOM 0 H VAL A 46 -4.413 -1.000 2.924 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.601 -3.515 1.344 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.854 -4.308 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.033 -3.734 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.502 -4.264 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.091 -2.534 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.190 -2.594 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.257 -1.330 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.774 -2.289 4.424 1.00 0.00 H new ATOM 758 N ALA A 47 -5.591 -4.726 3.338 1.00 0.00 N ATOM 759 CA ALA A 47 -6.491 -5.296 4.326 1.00 0.00 C ATOM 760 C ALA A 47 -5.813 -6.492 4.996 1.00 0.00 C ATOM 761 O ALA A 47 -5.385 -7.427 4.321 1.00 0.00 O ATOM 762 CB ALA A 47 -7.813 -5.676 3.654 1.00 0.00 C ATOM 0 H ALA A 47 -5.232 -5.392 2.653 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.719 -4.567 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.488 -6.104 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.269 -4.787 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.625 -6.409 2.869 1.00 0.00 H new ATOM 768 N PHE A 48 -5.736 -6.424 6.317 1.00 0.00 N ATOM 769 CA PHE A 48 -5.118 -7.490 7.087 1.00 0.00 C ATOM 770 C PHE A 48 -6.160 -8.512 7.546 1.00 0.00 C ATOM 771 O PHE A 48 -7.070 -8.178 8.304 1.00 0.00 O ATOM 772 CB PHE A 48 -4.480 -6.842 8.317 1.00 0.00 C ATOM 773 CG PHE A 48 -3.490 -5.723 7.989 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.947 -4.502 7.601 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.152 -5.949 8.084 1.00 0.00 C ATOM 776 CE1 PHE A 48 -3.027 -3.464 7.296 1.00 0.00 C ATOM 777 CE2 PHE A 48 -1.233 -4.911 7.779 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.690 -3.690 7.391 1.00 0.00 C ATOM 0 H PHE A 48 -6.092 -5.647 6.874 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.383 -8.012 6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.269 -6.440 8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.966 -7.611 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.009 -4.322 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.789 -6.918 8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.390 -2.494 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.171 -5.091 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.991 -2.900 7.158 1.00 0.00 H new ATOM 788 N GLU A 49 -5.993 -9.736 7.067 1.00 0.00 N ATOM 789 CA GLU A 49 -6.909 -10.808 7.418 1.00 0.00 C ATOM 790 C GLU A 49 -6.373 -11.592 8.618 1.00 0.00 C ATOM 791 O GLU A 49 -5.564 -11.077 9.389 1.00 0.00 O ATOM 792 CB GLU A 49 -7.154 -11.733 6.224 1.00 0.00 C ATOM 793 CG GLU A 49 -6.035 -12.769 6.094 1.00 0.00 C ATOM 794 CD GLU A 49 -5.841 -13.186 4.635 1.00 0.00 C ATOM 795 OE1 GLU A 49 -6.867 -13.502 3.994 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.672 -13.180 4.194 1.00 0.00 O ATOM 0 H GLU A 49 -5.237 -10.009 6.439 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.866 -10.366 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.112 -12.240 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.217 -11.143 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.105 -12.356 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.273 -13.645 6.698 1.00 0.00 H new ATOM 803 N GLU A 50 -6.844 -12.824 8.738 1.00 0.00 N ATOM 804 CA GLU A 50 -6.423 -13.684 9.831 1.00 0.00 C ATOM 805 C GLU A 50 -6.290 -12.874 11.122 1.00 0.00 C ATOM 806 O GLU A 50 -7.030 -11.915 11.337 1.00 0.00 O ATOM 807 CB GLU A 50 -5.111 -14.396 9.493 1.00 0.00 C ATOM 808 CG GLU A 50 -5.126 -15.840 9.999 1.00 0.00 C ATOM 809 CD GLU A 50 -3.934 -16.625 9.449 1.00 0.00 C ATOM 810 OE1 GLU A 50 -2.797 -16.274 9.832 1.00 0.00 O ATOM 811 OE2 GLU A 50 -4.186 -17.560 8.658 1.00 0.00 O ATOM 0 H GLU A 50 -7.514 -13.248 8.096 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.185 -14.448 9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.955 -14.386 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.275 -13.858 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.100 -15.848 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.055 -16.325 9.699 1.00 0.00 H new ATOM 818 N GLY A 51 -5.342 -13.290 11.949 1.00 0.00 N ATOM 819 CA GLY A 51 -5.103 -12.615 13.213 1.00 0.00 C ATOM 820 C GLY A 51 -3.802 -11.812 13.169 1.00 0.00 C ATOM 821 O GLY A 51 -2.735 -12.332 13.494 1.00 0.00 O ATOM 0 H GLY A 51 -4.730 -14.086 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.937 -11.950 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.054 -13.349 14.018 1.00 0.00 H new ATOM 825 N ARG A 52 -3.932 -10.557 12.764 1.00 0.00 N ATOM 826 CA ARG A 52 -2.780 -9.676 12.672 1.00 0.00 C ATOM 827 C ARG A 52 -2.950 -8.480 13.611 1.00 0.00 C ATOM 828 O ARG A 52 -4.065 -8.165 14.024 1.00 0.00 O ATOM 829 CB ARG A 52 -2.586 -9.169 11.242 1.00 0.00 C ATOM 830 CG ARG A 52 -3.767 -9.567 10.355 1.00 0.00 C ATOM 831 CD ARG A 52 -5.018 -8.762 10.714 1.00 0.00 C ATOM 832 NE ARG A 52 -6.013 -9.640 11.370 1.00 0.00 N ATOM 833 CZ ARG A 52 -6.952 -9.206 12.222 1.00 0.00 C ATOM 834 NH1 ARG A 52 -7.029 -7.903 12.527 1.00 0.00 N ATOM 835 NH2 ARG A 52 -7.813 -10.074 12.769 1.00 0.00 N ATOM 0 H ARG A 52 -4.818 -10.129 12.496 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.900 -10.250 12.964 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.480 -8.084 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.663 -9.577 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.512 -9.402 9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.970 -10.632 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.753 -7.939 11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.447 -8.320 9.815 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.982 -10.638 11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.373 -7.242 12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.744 -7.572 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.754 -11.066 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.528 -9.743 13.417 1.00 0.00 H new ATOM 849 N THR A 53 -1.828 -7.848 13.921 1.00 0.00 N ATOM 850 CA THR A 53 -1.839 -6.693 14.804 1.00 0.00 C ATOM 851 C THR A 53 -1.072 -5.531 14.171 1.00 0.00 C ATOM 852 O THR A 53 -0.461 -5.687 13.115 1.00 0.00 O ATOM 853 CB THR A 53 -1.274 -7.128 16.158 1.00 0.00 C ATOM 854 OG1 THR A 53 0.066 -7.516 15.866 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.928 -8.408 16.681 1.00 0.00 C ATOM 0 H THR A 53 -0.905 -8.113 13.577 1.00 0.00 H new ATOM 0 HA THR A 53 -2.853 -6.325 14.961 1.00 0.00 H new ATOM 0 HB THR A 53 -1.413 -6.327 16.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.508 -7.811 16.689 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.491 -8.673 17.644 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.999 -8.247 16.801 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.760 -9.218 15.972 1.00 0.00 H new ATOM 863 N LEU A 54 -1.130 -4.390 14.842 1.00 0.00 N ATOM 864 CA LEU A 54 -0.449 -3.201 14.358 1.00 0.00 C ATOM 865 C LEU A 54 1.054 -3.477 14.277 1.00 0.00 C ATOM 866 O LEU A 54 1.755 -2.880 13.462 1.00 0.00 O ATOM 867 CB LEU A 54 -0.806 -1.990 15.223 1.00 0.00 C ATOM 868 CG LEU A 54 -0.640 -0.621 14.560 1.00 0.00 C ATOM 869 CD1 LEU A 54 0.798 -0.415 14.080 1.00 0.00 C ATOM 870 CD2 LEU A 54 -1.654 -0.432 13.430 1.00 0.00 C ATOM 0 H LEU A 54 -1.638 -4.264 15.717 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.783 -2.954 13.350 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.842 -2.092 15.546 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.188 -2.014 16.121 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.843 0.147 15.307 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.889 0.566 13.613 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.478 -0.476 14.930 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.054 -1.188 13.355 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.514 0.549 12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.507 -1.205 12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.665 -0.505 13.832 1.00 0.00 H new ATOM 882 N LEU A 55 1.504 -4.383 15.133 1.00 0.00 N ATOM 883 CA LEU A 55 2.910 -4.745 15.169 1.00 0.00 C ATOM 884 C LEU A 55 3.355 -5.182 13.772 1.00 0.00 C ATOM 885 O LEU A 55 4.415 -4.775 13.298 1.00 0.00 O ATOM 886 CB LEU A 55 3.166 -5.795 16.252 1.00 0.00 C ATOM 887 CG LEU A 55 4.157 -5.399 17.349 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.489 -4.949 16.747 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.557 -4.337 18.273 1.00 0.00 C ATOM 0 H LEU A 55 0.919 -4.877 15.807 1.00 0.00 H new ATOM 0 HA LEU A 55 3.518 -3.883 15.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.214 -6.043 16.722 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.530 -6.703 15.771 1.00 0.00 H new ATOM 0 HG LEU A 55 4.360 -6.279 17.960 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.175 -4.673 17.548 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.919 -5.764 16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.323 -4.089 16.099 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.282 -4.074 19.043 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.306 -3.449 17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.655 -4.731 18.742 1.00 0.00 H new ATOM 901 N ASP A 56 2.523 -6.006 13.151 1.00 0.00 N ATOM 902 CA ASP A 56 2.817 -6.502 11.818 1.00 0.00 C ATOM 903 C ASP A 56 2.664 -5.363 10.808 1.00 0.00 C ATOM 904 O ASP A 56 3.437 -5.264 9.856 1.00 0.00 O ATOM 905 CB ASP A 56 1.850 -7.619 11.420 1.00 0.00 C ATOM 906 CG ASP A 56 2.515 -8.935 11.011 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.749 -8.911 10.818 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.773 -9.935 10.901 1.00 0.00 O ATOM 0 H ASP A 56 1.645 -6.342 13.547 1.00 0.00 H new ATOM 0 HA ASP A 56 3.836 -6.890 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.179 -7.813 12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.234 -7.268 10.592 1.00 0.00 H new ATOM 913 N HIS A 57 1.663 -4.531 11.051 1.00 0.00 N ATOM 914 CA HIS A 57 1.399 -3.402 10.175 1.00 0.00 C ATOM 915 C HIS A 57 2.617 -2.477 10.147 1.00 0.00 C ATOM 916 O HIS A 57 3.095 -2.105 9.077 1.00 0.00 O ATOM 917 CB HIS A 57 0.116 -2.679 10.592 1.00 0.00 C ATOM 918 CG HIS A 57 -1.108 -3.563 10.612 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.226 -4.922 10.596 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.396 -3.060 10.653 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.517 -5.231 10.627 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.244 -4.078 10.662 1.00 0.00 N flip ATOM 0 H HIS A 57 1.025 -4.616 11.842 1.00 0.00 H new ATOM 0 HA HIS A 57 1.233 -3.758 9.158 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.259 -2.251 11.584 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.059 -1.848 9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.665 -2.014 10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.924 -6.231 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.261 -4.011 10.690 1.00 0.00 H new ATOM 930 N ALA A 58 3.086 -2.133 11.338 1.00 0.00 N ATOM 931 CA ALA A 58 4.240 -1.260 11.464 1.00 0.00 C ATOM 932 C ALA A 58 5.431 -1.887 10.736 1.00 0.00 C ATOM 933 O ALA A 58 6.183 -1.191 10.056 1.00 0.00 O ATOM 934 CB ALA A 58 4.529 -1.006 12.945 1.00 0.00 C ATOM 0 H ALA A 58 2.687 -2.443 12.224 1.00 0.00 H new ATOM 0 HA ALA A 58 4.042 -0.294 11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.395 -0.351 13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.664 -0.533 13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.735 -1.953 13.443 1.00 0.00 H new ATOM 940 N ARG A 59 5.565 -3.194 10.905 1.00 0.00 N ATOM 941 CA ARG A 59 6.652 -3.923 10.273 1.00 0.00 C ATOM 942 C ARG A 59 6.454 -3.960 8.756 1.00 0.00 C ATOM 943 O ARG A 59 7.418 -3.863 7.998 1.00 0.00 O ATOM 944 CB ARG A 59 6.737 -5.355 10.804 1.00 0.00 C ATOM 945 CG ARG A 59 7.707 -5.445 11.984 1.00 0.00 C ATOM 946 CD ARG A 59 8.993 -6.170 11.583 1.00 0.00 C ATOM 947 NE ARG A 59 10.045 -5.934 12.596 1.00 0.00 N ATOM 948 CZ ARG A 59 11.272 -6.471 12.545 1.00 0.00 C ATOM 949 NH1 ARG A 59 11.608 -7.278 11.529 1.00 0.00 N ATOM 950 NH2 ARG A 59 12.162 -6.201 13.509 1.00 0.00 N ATOM 0 H ARG A 59 4.939 -3.767 11.470 1.00 0.00 H new ATOM 0 HA ARG A 59 7.581 -3.404 10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.748 -5.691 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.064 -6.023 10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.946 -4.443 12.340 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.231 -5.972 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.803 -7.239 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.330 -5.817 10.608 1.00 0.00 H new ATOM 0 HE ARG A 59 9.823 -5.324 13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.930 -7.483 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.542 -7.687 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.906 -5.587 14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.096 -6.610 13.470 1.00 0.00 H new ATOM 964 N LEU A 60 5.198 -4.100 8.358 1.00 0.00 N ATOM 965 CA LEU A 60 4.862 -4.152 6.946 1.00 0.00 C ATOM 966 C LEU A 60 5.348 -2.871 6.263 1.00 0.00 C ATOM 967 O LEU A 60 6.020 -2.929 5.235 1.00 0.00 O ATOM 968 CB LEU A 60 3.366 -4.418 6.760 1.00 0.00 C ATOM 969 CG LEU A 60 2.919 -4.770 5.340 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.995 -5.576 4.610 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.571 -5.493 5.353 1.00 0.00 C ATOM 0 H LEU A 60 4.401 -4.179 8.989 1.00 0.00 H new ATOM 0 HA LEU A 60 5.373 -4.985 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.077 -5.233 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.817 -3.534 7.084 1.00 0.00 H new ATOM 0 HG LEU A 60 2.781 -3.842 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.652 -5.813 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.912 -4.990 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.189 -6.500 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.276 -5.732 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.657 -6.414 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.817 -4.850 5.807 1.00 0.00 H new ATOM 983 N LYS A 61 4.989 -1.746 6.863 1.00 0.00 N ATOM 984 CA LYS A 61 5.380 -0.454 6.326 1.00 0.00 C ATOM 985 C LYS A 61 6.906 -0.380 6.247 1.00 0.00 C ATOM 986 O LYS A 61 7.458 0.069 5.244 1.00 0.00 O ATOM 987 CB LYS A 61 4.751 0.678 7.142 1.00 0.00 C ATOM 988 CG LYS A 61 5.250 2.042 6.662 1.00 0.00 C ATOM 989 CD LYS A 61 6.693 2.287 7.109 1.00 0.00 C ATOM 990 CE LYS A 61 6.922 3.764 7.435 1.00 0.00 C ATOM 991 NZ LYS A 61 6.280 4.116 8.722 1.00 0.00 N ATOM 0 H LYS A 61 4.431 -1.702 7.716 1.00 0.00 H new ATOM 0 HA LYS A 61 5.001 -0.333 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.665 0.633 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.993 0.549 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.189 2.094 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.605 2.828 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.914 1.679 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.379 1.974 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.991 3.970 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.516 4.386 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.672 5.013 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.254 4.218 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.462 3.364 9.418 1.00 0.00 H new ATOM 1005 N LEU A 62 7.545 -0.829 7.318 1.00 0.00 N ATOM 1006 CA LEU A 62 8.996 -0.820 7.382 1.00 0.00 C ATOM 1007 C LEU A 62 9.555 -1.789 6.338 1.00 0.00 C ATOM 1008 O LEU A 62 10.633 -1.564 5.791 1.00 0.00 O ATOM 1009 CB LEU A 62 9.471 -1.110 8.807 1.00 0.00 C ATOM 1010 CG LEU A 62 10.076 -2.495 9.043 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.464 -2.603 8.409 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.100 -2.835 10.535 1.00 0.00 C ATOM 0 H LEU A 62 7.084 -1.201 8.148 1.00 0.00 H new ATOM 0 HA LEU A 62 9.382 0.170 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.213 -0.360 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.625 -0.985 9.483 1.00 0.00 H new ATOM 0 HG LEU A 62 9.440 -3.233 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.871 -3.597 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.388 -2.434 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.124 -1.855 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.535 -3.825 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.700 -2.096 11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.083 -2.827 10.927 1.00 0.00 H new ATOM 1024 N ALA A 63 8.795 -2.847 6.093 1.00 0.00 N ATOM 1025 CA ALA A 63 9.201 -3.851 5.125 1.00 0.00 C ATOM 1026 C ALA A 63 9.025 -3.292 3.712 1.00 0.00 C ATOM 1027 O ALA A 63 9.891 -3.472 2.857 1.00 0.00 O ATOM 1028 CB ALA A 63 8.395 -5.132 5.349 1.00 0.00 C ATOM 0 H ALA A 63 7.901 -3.030 6.548 1.00 0.00 H new ATOM 0 HA ALA A 63 10.254 -4.102 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.700 -5.885 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.577 -5.505 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.333 -4.920 5.227 1.00 0.00 H new ATOM 1034 N LEU A 64 7.899 -2.624 3.510 1.00 0.00 N ATOM 1035 CA LEU A 64 7.598 -2.037 2.216 1.00 0.00 C ATOM 1036 C LEU A 64 8.614 -0.933 1.913 1.00 0.00 C ATOM 1037 O LEU A 64 9.068 -0.797 0.778 1.00 0.00 O ATOM 1038 CB LEU A 64 6.144 -1.564 2.166 1.00 0.00 C ATOM 1039 CG LEU A 64 5.080 -2.659 2.265 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.914 -2.379 1.314 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.691 -4.042 2.030 1.00 0.00 C ATOM 0 H LEU A 64 7.183 -2.476 4.222 1.00 0.00 H new ATOM 0 HA LEU A 64 7.693 -2.784 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.985 -0.855 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.991 -1.020 1.234 1.00 0.00 H new ATOM 0 HG LEU A 64 4.678 -2.653 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.172 -3.172 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.457 -1.424 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.282 -2.341 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.913 -4.801 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.138 -4.078 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.459 -4.233 2.780 1.00 0.00 H new ATOM 1053 N GLU A 65 8.941 -0.174 2.948 1.00 0.00 N ATOM 1054 CA GLU A 65 9.894 0.914 2.807 1.00 0.00 C ATOM 1055 C GLU A 65 11.298 0.360 2.554 1.00 0.00 C ATOM 1056 O GLU A 65 12.129 1.024 1.938 1.00 0.00 O ATOM 1057 CB GLU A 65 9.877 1.821 4.039 1.00 0.00 C ATOM 1058 CG GLU A 65 8.681 2.774 4.002 1.00 0.00 C ATOM 1059 CD GLU A 65 8.861 3.920 5.000 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.854 3.862 5.756 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.001 4.827 4.984 1.00 0.00 O ATOM 0 H GLU A 65 8.563 -0.291 3.888 1.00 0.00 H new ATOM 0 HA GLU A 65 9.602 1.518 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.834 1.213 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.803 2.395 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.564 3.178 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.768 2.226 4.233 1.00 0.00 H new ATOM 1068 N GLY A 66 11.517 -0.853 3.042 1.00 0.00 N ATOM 1069 CA GLY A 66 12.806 -1.504 2.876 1.00 0.00 C ATOM 1070 C GLY A 66 13.017 -1.940 1.425 1.00 0.00 C ATOM 1071 O GLY A 66 14.090 -1.731 0.860 1.00 0.00 O ATOM 0 H GLY A 66 10.824 -1.401 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.603 -0.823 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.866 -2.372 3.533 1.00 0.00 H new ATOM 1075 N LEU A 67 11.976 -2.537 0.863 1.00 0.00 N ATOM 1076 CA LEU A 67 12.034 -3.005 -0.512 1.00 0.00 C ATOM 1077 C LEU A 67 12.221 -1.807 -1.446 1.00 0.00 C ATOM 1078 O LEU A 67 13.059 -1.842 -2.346 1.00 0.00 O ATOM 1079 CB LEU A 67 10.806 -3.855 -0.841 1.00 0.00 C ATOM 1080 CG LEU A 67 11.049 -5.360 -0.979 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.835 -6.075 0.356 1.00 0.00 C ATOM 1082 CD2 LEU A 67 10.185 -5.955 -2.093 1.00 0.00 C ATOM 0 H LEU A 67 11.088 -2.707 1.335 1.00 0.00 H new ATOM 0 HA LEU A 67 12.894 -3.660 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.060 -3.697 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.375 -3.490 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 67 12.090 -5.513 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.014 -7.143 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.527 -5.676 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.811 -5.916 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.377 -7.025 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.132 -5.791 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.430 -5.473 -3.040 1.00 0.00 H new ATOM 1094 N LEU A 68 11.427 -0.776 -1.199 1.00 0.00 N ATOM 1095 CA LEU A 68 11.494 0.430 -2.007 1.00 0.00 C ATOM 1096 C LEU A 68 12.501 1.400 -1.385 1.00 0.00 C ATOM 1097 O LEU A 68 12.694 2.506 -1.886 1.00 0.00 O ATOM 1098 CB LEU A 68 10.099 1.029 -2.194 1.00 0.00 C ATOM 1099 CG LEU A 68 9.055 0.109 -2.831 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.637 0.543 -2.451 1.00 0.00 C ATOM 1101 CD2 LEU A 68 9.243 0.033 -4.347 1.00 0.00 C ATOM 0 H LEU A 68 10.734 -0.751 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 68 11.852 0.197 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.728 1.347 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.189 1.925 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 68 9.201 -0.897 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.914 -0.127 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.523 0.504 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.463 1.562 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.488 -0.627 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.139 1.029 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.236 -0.357 -4.571 1.00 0.00 H new ATOM 1113 N GLY A 69 13.116 0.950 -0.301 1.00 0.00 N ATOM 1114 CA GLY A 69 14.098 1.764 0.395 1.00 0.00 C ATOM 1115 C GLY A 69 13.670 3.233 0.425 1.00 0.00 C ATOM 1116 O GLY A 69 14.513 4.128 0.461 1.00 0.00 O ATOM 0 H GLY A 69 12.953 0.032 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.224 1.397 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.066 1.673 -0.098 1.00 0.00 H new ATOM 1120 N VAL A 70 12.361 3.435 0.409 1.00 0.00 N ATOM 1121 CA VAL A 70 11.811 4.780 0.434 1.00 0.00 C ATOM 1122 C VAL A 70 10.694 4.850 1.477 1.00 0.00 C ATOM 1123 O VAL A 70 10.495 3.909 2.244 1.00 0.00 O ATOM 1124 CB VAL A 70 11.347 5.181 -0.967 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.495 5.085 -1.974 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.154 4.333 -1.413 1.00 0.00 C ATOM 0 H VAL A 70 11.665 2.690 0.379 1.00 0.00 H new ATOM 0 HA VAL A 70 12.575 5.500 0.727 1.00 0.00 H new ATOM 0 HB VAL A 70 11.023 6.221 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.138 5.376 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.302 5.751 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.864 4.060 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.844 4.638 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.440 3.281 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.327 4.474 -0.717 1.00 0.00 H new ATOM 1136 N ARG A 71 9.994 5.975 1.473 1.00 0.00 N ATOM 1137 CA ARG A 71 8.902 6.181 2.410 1.00 0.00 C ATOM 1138 C ARG A 71 7.586 5.686 1.807 1.00 0.00 C ATOM 1139 O ARG A 71 7.234 6.055 0.687 1.00 0.00 O ATOM 1140 CB ARG A 71 8.763 7.659 2.777 1.00 0.00 C ATOM 1141 CG ARG A 71 7.593 7.878 3.738 1.00 0.00 C ATOM 1142 CD ARG A 71 8.067 7.863 5.192 1.00 0.00 C ATOM 1143 NE ARG A 71 8.415 9.235 5.625 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.080 9.522 6.752 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.472 8.534 7.568 1.00 0.00 N ATOM 1146 NH2 ARG A 71 9.353 10.796 7.064 1.00 0.00 N ATOM 0 H ARG A 71 10.162 6.754 0.836 1.00 0.00 H new ATOM 0 HA ARG A 71 9.128 5.614 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.686 8.012 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.611 8.249 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.111 8.831 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.844 7.100 3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.285 7.458 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.934 7.210 5.294 1.00 0.00 H new ATOM 0 HE ARG A 71 8.130 10.011 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.264 7.564 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.978 8.752 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.054 11.548 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.859 11.014 7.922 1.00 0.00 H new ATOM 1160 N VAL A 72 6.894 4.859 2.576 1.00 0.00 N ATOM 1161 CA VAL A 72 5.624 4.310 2.133 1.00 0.00 C ATOM 1162 C VAL A 72 4.600 4.426 3.263 1.00 0.00 C ATOM 1163 O VAL A 72 4.942 4.268 4.434 1.00 0.00 O ATOM 1164 CB VAL A 72 5.817 2.872 1.646 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.476 2.233 1.277 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.793 2.818 0.469 1.00 0.00 C ATOM 0 H VAL A 72 7.189 4.555 3.504 1.00 0.00 H new ATOM 0 HA VAL A 72 5.238 4.877 1.286 1.00 0.00 H new ATOM 0 HB VAL A 72 6.248 2.296 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.642 1.212 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.826 2.221 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.004 2.811 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.912 1.785 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.403 3.416 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.760 3.214 0.780 1.00 0.00 H new ATOM 1176 N ASP A 73 3.364 4.701 2.873 1.00 0.00 N ATOM 1177 CA ASP A 73 2.288 4.840 3.839 1.00 0.00 C ATOM 1178 C ASP A 73 1.221 3.779 3.565 1.00 0.00 C ATOM 1179 O ASP A 73 0.531 3.835 2.548 1.00 0.00 O ATOM 1180 CB ASP A 73 1.625 6.215 3.732 1.00 0.00 C ATOM 1181 CG ASP A 73 0.503 6.473 4.739 1.00 0.00 C ATOM 1182 OD1 ASP A 73 -0.157 5.481 5.119 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.330 7.655 5.106 1.00 0.00 O ATOM 0 H ASP A 73 3.084 4.831 1.901 1.00 0.00 H new ATOM 0 HA ASP A 73 2.713 4.721 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.390 6.981 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.223 6.330 2.726 1.00 0.00 H new ATOM 1188 N ILE A 74 1.119 2.835 4.489 1.00 0.00 N ATOM 1189 CA ILE A 74 0.148 1.762 4.359 1.00 0.00 C ATOM 1190 C ILE A 74 -1.111 2.121 5.150 1.00 0.00 C ATOM 1191 O ILE A 74 -1.027 2.730 6.216 1.00 0.00 O ATOM 1192 CB ILE A 74 0.770 0.424 4.766 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.079 0.176 4.014 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.226 -0.723 4.579 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.499 -1.291 4.114 1.00 0.00 C ATOM 0 H ILE A 74 1.693 2.791 5.331 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.152 1.644 3.318 1.00 0.00 H new ATOM 0 HB ILE A 74 1.013 0.469 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.959 0.453 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.864 0.811 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.241 -1.662 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.106 -0.545 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.523 -0.780 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.432 -1.440 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.642 -1.558 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.723 -1.922 3.681 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.250 1.729 4.598 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.525 2.002 5.239 1.00 0.00 C ATOM 1209 C VAL A 75 -4.317 0.698 5.366 1.00 0.00 C ATOM 1210 O VAL A 75 -4.221 -0.176 4.507 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.278 3.085 4.466 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.713 3.229 4.979 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.536 4.422 4.531 1.00 0.00 C ATOM 0 H VAL A 75 -2.316 1.225 3.714 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.371 2.388 6.246 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.325 2.778 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.226 4.006 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.240 2.283 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.697 3.501 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.093 5.175 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.443 4.736 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.543 4.309 4.096 1.00 0.00 H new ATOM 1223 N SER A 76 -5.080 0.610 6.446 1.00 0.00 N ATOM 1224 CA SER A 76 -5.888 -0.572 6.696 1.00 0.00 C ATOM 1225 C SER A 76 -7.365 -0.257 6.455 1.00 0.00 C ATOM 1226 O SER A 76 -7.917 0.655 7.068 1.00 0.00 O ATOM 1227 CB SER A 76 -5.681 -1.088 8.121 1.00 0.00 C ATOM 1228 OG SER A 76 -5.617 -0.027 9.070 1.00 0.00 O ATOM 0 H SER A 76 -5.156 1.337 7.157 1.00 0.00 H new ATOM 0 HA SER A 76 -5.573 -1.354 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.497 -1.761 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.760 -1.670 8.165 1.00 0.00 H new ATOM 0 HG SER A 76 -5.486 -0.398 9.967 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.964 -1.029 5.560 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.366 -0.844 5.230 1.00 0.00 C ATOM 1236 C GLU A 77 -10.178 -0.571 6.498 1.00 0.00 C ATOM 1237 O GLU A 77 -10.923 0.405 6.564 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.917 -2.057 4.477 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.786 -1.869 2.964 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.538 -2.965 2.208 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.760 -2.785 2.015 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.875 -3.959 1.840 1.00 0.00 O ATOM 0 H GLU A 77 -7.503 -1.785 5.053 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.453 0.021 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.380 -2.955 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.964 -2.207 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.178 -0.892 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.733 -1.884 2.682 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.006 -1.451 7.473 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.714 -1.317 8.736 1.00 0.00 C ATOM 1251 C ARG A 78 -10.481 0.074 9.329 1.00 0.00 C ATOM 1252 O ARG A 78 -11.402 0.683 9.872 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.254 -2.376 9.740 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.452 -3.069 10.393 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.011 -3.912 11.591 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.994 -3.783 12.690 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.011 -2.769 13.566 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.100 -1.790 13.477 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -12.940 -2.734 14.532 1.00 0.00 N ATOM 0 H ARG A 78 -9.387 -2.260 7.415 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.777 -1.458 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.632 -3.115 9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.636 -1.910 10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.177 -2.322 10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.953 -3.704 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.918 -4.957 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.028 -3.588 11.932 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.702 -4.511 12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.393 -1.816 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.114 -1.019 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.633 -3.479 14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.953 -1.962 15.199 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.246 0.536 9.206 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.880 1.843 9.724 1.00 0.00 C ATOM 1275 C GLY A 79 -9.452 2.959 8.847 1.00 0.00 C ATOM 1276 O GLY A 79 -9.721 4.058 9.331 1.00 0.00 O ATOM 0 H GLY A 79 -8.485 0.028 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.250 1.951 10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.794 1.930 9.768 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.621 2.639 7.573 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.156 3.601 6.624 1.00 0.00 C ATOM 1282 C LEU A 80 -11.581 3.979 7.035 1.00 0.00 C ATOM 1283 O LEU A 80 -12.070 3.532 8.071 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.051 3.061 5.196 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.019 3.742 4.296 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.992 3.098 2.908 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.265 5.250 4.223 1.00 0.00 C ATOM 0 H LEU A 80 -9.397 1.727 7.175 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.566 4.517 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.814 1.998 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.029 3.147 4.723 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.033 3.598 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.250 3.601 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.733 2.043 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.974 3.190 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.517 5.710 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.259 5.437 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.194 5.679 5.222 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.206 4.798 6.202 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.564 5.240 6.467 1.00 0.00 C ATOM 1301 C ALA A 81 -14.517 4.566 5.478 1.00 0.00 C ATOM 1302 O ALA A 81 -14.080 3.988 4.484 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.628 6.767 6.389 1.00 0.00 C ATOM 0 H ALA A 81 -11.797 5.167 5.343 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.873 4.951 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.647 7.099 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.955 7.198 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.328 7.093 5.393 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.837 4.664 5.793 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.855 4.070 4.944 1.00 0.00 C ATOM 1311 C PRO A 82 -17.061 4.898 3.674 1.00 0.00 C ATOM 1312 O PRO A 82 -17.149 4.348 2.577 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.099 3.998 5.814 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.866 4.972 6.957 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.391 5.341 6.962 1.00 0.00 C ATOM 0 HA PRO A 82 -16.578 3.079 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.989 4.269 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.255 2.986 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.482 5.863 6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.150 4.520 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.252 6.420 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.903 5.011 7.879 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.132 6.208 3.864 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.326 7.117 2.748 1.00 0.00 C ATOM 1325 C ARG A 83 -16.008 7.328 2.000 1.00 0.00 C ATOM 1326 O ARG A 83 -16.008 7.647 0.812 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.856 8.470 3.225 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.823 9.188 4.095 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.495 10.205 5.020 1.00 0.00 C ATOM 1330 NE ARG A 83 -18.220 9.502 6.102 1.00 0.00 N ATOM 1331 CZ ARG A 83 -19.020 10.110 6.989 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -19.203 11.436 6.927 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -19.637 9.392 7.937 1.00 0.00 N ATOM 0 H ARG A 83 -17.059 6.661 4.775 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.060 6.668 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.106 9.090 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.776 8.325 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.273 8.458 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.096 9.694 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.746 10.872 5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.187 10.826 4.451 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.104 8.491 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.734 11.982 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.812 11.899 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.498 8.383 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.246 9.855 8.612 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.916 7.142 2.727 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.594 7.308 2.147 1.00 0.00 C ATOM 1349 C LEU A 84 -13.196 6.023 1.418 1.00 0.00 C ATOM 1350 O LEU A 84 -12.742 6.068 0.276 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.591 7.744 3.217 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.637 8.873 2.822 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.224 10.239 3.185 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.253 8.663 3.438 1.00 0.00 C ATOM 0 H LEU A 84 -14.920 6.878 3.712 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.601 8.106 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.146 8.057 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.997 6.877 3.504 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.514 8.852 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.526 11.024 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.169 10.380 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.396 10.287 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.595 9.480 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.338 8.642 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.839 7.718 3.088 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.381 4.908 2.109 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.047 3.612 1.542 1.00 0.00 C ATOM 1368 C ARG A 85 -13.719 3.441 0.178 1.00 0.00 C ATOM 1369 O ARG A 85 -13.062 3.098 -0.803 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.487 2.476 2.467 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.271 1.114 1.803 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.540 0.262 1.874 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.243 -1.035 2.521 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.151 -2.000 2.722 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.419 -1.820 2.327 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.791 -3.145 3.318 1.00 0.00 N ATOM 0 H ARG A 85 -13.758 4.875 3.056 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.964 3.570 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.925 2.523 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.540 2.597 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.981 1.255 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.450 0.592 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.311 0.790 2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.933 0.096 0.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.287 -1.205 2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.693 -0.949 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.110 -2.555 2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.826 -3.282 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.482 -3.879 3.471 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.021 3.687 0.161 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.790 3.564 -1.066 1.00 0.00 C ATOM 1392 C GLU A 86 -15.163 4.414 -2.173 1.00 0.00 C ATOM 1393 O GLU A 86 -15.051 3.969 -3.314 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.252 3.953 -0.838 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.994 2.863 -0.061 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.345 2.552 -0.709 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.356 1.687 -1.612 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.336 3.185 -0.288 1.00 0.00 O ATOM 0 H GLU A 86 -15.563 3.971 0.977 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.771 2.521 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.301 4.893 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.742 4.118 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.387 1.959 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.146 3.185 0.969 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.770 5.622 -1.796 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.157 6.538 -2.743 1.00 0.00 C ATOM 1407 C GLN A 87 -12.737 6.080 -3.082 1.00 0.00 C ATOM 1408 O GLN A 87 -12.295 6.209 -4.223 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.156 7.969 -2.200 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.437 8.706 -2.596 1.00 0.00 C ATOM 1411 CD GLN A 87 -15.184 10.210 -2.730 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.645 10.856 -1.846 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.603 10.728 -3.881 1.00 0.00 N ATOM 0 H GLN A 87 -14.864 5.987 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.748 6.532 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.064 7.950 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.289 8.507 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.811 8.311 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.209 8.529 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.046 10.130 -4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.481 11.723 -4.067 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.062 5.554 -2.071 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.701 5.076 -2.247 1.00 0.00 C ATOM 1424 C VAL A 88 -10.688 3.969 -3.304 1.00 0.00 C ATOM 1425 O VAL A 88 -9.772 3.899 -4.122 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.126 4.626 -0.903 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.707 4.078 -1.069 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.157 5.767 0.116 1.00 0.00 C ATOM 0 H VAL A 88 -12.432 5.448 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.057 5.879 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.754 3.820 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.322 3.765 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.724 3.223 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.063 4.855 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.743 5.421 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.564 6.603 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.186 6.092 0.268 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.713 3.132 -3.251 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.830 2.032 -4.193 1.00 0.00 C ATOM 1440 C LEU A 89 -11.796 2.582 -5.620 1.00 0.00 C ATOM 1441 O LEU A 89 -11.102 2.044 -6.481 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.073 1.194 -3.886 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.093 0.498 -2.524 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.513 0.069 -2.148 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.113 -0.676 -2.492 1.00 0.00 C ATOM 0 H LEU A 89 -12.470 3.193 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.983 1.353 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.948 1.840 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.176 0.435 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.762 1.213 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.499 -0.423 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.158 0.947 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.895 -0.622 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.148 -1.152 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.388 -1.401 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.103 -0.312 -2.683 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.555 3.648 -5.827 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.621 4.278 -7.135 1.00 0.00 C ATOM 1459 C ARG A 90 -11.215 4.623 -7.629 1.00 0.00 C ATOM 1460 O ARG A 90 -10.988 4.744 -8.832 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.466 5.553 -7.091 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.955 5.220 -6.974 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.756 6.442 -6.520 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.438 7.060 -7.679 1.00 0.00 N ATOM 1465 CZ ARG A 90 -15.868 7.956 -8.496 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -14.604 8.346 -8.286 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -16.564 8.463 -9.523 1.00 0.00 N ATOM 0 H ARG A 90 -13.130 4.092 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.088 3.571 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.160 6.168 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.291 6.141 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.330 4.872 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.094 4.405 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.490 6.148 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.093 7.167 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.402 6.787 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.075 7.961 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.171 9.028 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.527 8.167 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.131 9.145 -10.145 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.307 4.772 -6.676 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.929 5.100 -6.999 1.00 0.00 C ATOM 1483 C GLU A 91 -8.054 3.847 -6.931 1.00 0.00 C ATOM 1484 O GLU A 91 -7.289 3.569 -7.853 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.394 6.193 -6.072 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.298 7.428 -6.101 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.912 8.363 -7.249 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.702 8.410 -7.561 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.835 9.009 -7.789 1.00 0.00 O ATOM 0 H GLU A 91 -10.499 4.672 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.898 5.486 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.327 5.811 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.384 6.470 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.338 7.120 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.223 7.960 -5.153 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.197 3.124 -5.830 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.429 1.907 -5.629 1.00 0.00 C ATOM 1498 C ALA A 92 -7.493 1.054 -6.898 1.00 0.00 C ATOM 1499 O ALA A 92 -8.553 0.918 -7.506 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.960 1.165 -4.401 1.00 0.00 C ATOM 0 H ALA A 92 -8.833 3.358 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.381 2.141 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.384 0.252 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.866 1.803 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.009 0.911 -4.555 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.344 0.502 -7.260 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.255 -0.333 -8.445 1.00 0.00 C ATOM 1508 C ILE A 93 -5.462 -1.599 -8.114 1.00 0.00 C ATOM 1509 O ILE A 93 -4.383 -1.524 -7.529 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.682 0.462 -9.620 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.225 0.852 -9.359 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.553 1.679 -9.935 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.605 1.510 -10.593 1.00 0.00 C ATOM 0 H ILE A 93 -5.467 0.617 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.248 -0.652 -8.761 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.691 -0.178 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.174 1.537 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.651 -0.034 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.123 2.227 -10.774 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.559 1.349 -10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.598 2.330 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.570 1.778 -10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.636 0.813 -11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.167 2.409 -10.847 1.00 0.00 H new ATOM 1525 N PRO A 94 -6.043 -2.762 -8.513 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.402 -4.042 -8.264 1.00 0.00 C ATOM 1527 C PRO A 94 -4.227 -4.262 -9.219 1.00 0.00 C ATOM 1528 O PRO A 94 -4.407 -4.289 -10.435 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.505 -5.074 -8.434 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.606 -4.382 -9.222 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.320 -2.889 -9.208 1.00 0.00 C ATOM 0 HA PRO A 94 -4.964 -4.106 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.139 -5.953 -8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.873 -5.415 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.636 -4.756 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.580 -4.588 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.262 -2.488 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.108 -2.340 -8.692 1.00 0.00 H new ATOM 1539 N LEU A 95 -3.049 -4.412 -8.631 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.844 -4.628 -9.414 1.00 0.00 C ATOM 1541 C LEU A 95 -1.872 -6.039 -10.007 1.00 0.00 C ATOM 1542 O LEU A 95 -1.987 -7.021 -9.275 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.599 -4.339 -8.573 1.00 0.00 C ATOM 1544 CG LEU A 95 0.697 -5.001 -9.044 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.748 -3.950 -9.408 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.216 -5.994 -8.003 1.00 0.00 C ATOM 0 H LEU A 95 -2.903 -4.388 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.804 -3.931 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.444 -3.260 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.795 -4.657 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 95 0.481 -5.568 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.660 -4.447 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.367 -3.317 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.967 -3.336 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.138 -6.450 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.412 -5.471 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.469 -6.770 -7.836 1.00 0.00 H new