USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 1.05 K(o=2.1,f=-3.1!) USER MOD Set 1.2: A 49 SER OG : rot 144:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.2 (180deg=1.14) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 1.45 (180deg=1.42) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -123:sc= 0.834 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0916 (180deg=-0.444) USER MOD Single : A 26 THR OG1 : rot -39:sc= 0.645 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 32 MET CE :methyl -177:sc= -0.896 (180deg=-0.941) USER MOD Single : A 34 GLN : amide:sc= -1.04 K(o=-1,f=-0.11) USER MOD Single : A 37 CYS SG : rot -28:sc= -1.91! USER MOD Single : A 47 GLN : amide:sc= -0.0824 K(o=-0.082,f=-0.62) USER MOD Single : A 50 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.79) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.442 10.042 12.219 1.00 0.00 N ATOM 2 CA MET A 1 -7.090 9.870 11.639 1.00 0.00 C ATOM 3 C MET A 1 -6.514 8.510 12.001 1.00 0.00 C ATOM 4 O MET A 1 -6.477 8.132 13.172 1.00 0.00 O ATOM 5 CB MET A 1 -6.136 10.970 12.112 1.00 0.00 C ATOM 6 CG MET A 1 -6.445 12.347 11.546 1.00 0.00 C ATOM 7 SD MET A 1 -5.181 13.562 11.970 1.00 0.00 S ATOM 8 CE MET A 1 -5.845 15.030 11.191 1.00 0.00 C ATOM 0 H1 MET A 1 -8.704 11.048 12.197 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.130 9.494 11.665 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.443 9.705 13.203 1.00 0.00 H new ATOM 0 HA MET A 1 -7.193 9.939 10.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.169 11.021 13.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.118 10.696 11.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.532 12.280 10.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.411 12.684 11.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.173 15.870 11.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.943 14.860 10.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.824 15.255 11.614 1.00 0.00 H new ATOM 18 N GLY A 2 -6.076 7.783 10.985 1.00 0.00 N ATOM 19 CA GLY A 2 -5.431 6.505 11.186 1.00 0.00 C ATOM 20 C GLY A 2 -4.026 6.515 10.625 1.00 0.00 C ATOM 21 O GLY A 2 -3.150 7.211 11.144 1.00 0.00 O ATOM 0 H GLY A 2 -6.159 8.063 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.400 6.272 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.013 5.719 10.705 1.00 0.00 H new ATOM 25 N LEU A 3 -3.818 5.759 9.559 1.00 0.00 N ATOM 26 CA LEU A 3 -2.529 5.731 8.878 1.00 0.00 C ATOM 27 C LEU A 3 -2.331 6.983 8.028 1.00 0.00 C ATOM 28 O LEU A 3 -3.226 7.392 7.285 1.00 0.00 O ATOM 29 CB LEU A 3 -2.417 4.487 7.987 1.00 0.00 C ATOM 30 CG LEU A 3 -2.406 3.144 8.722 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.389 1.994 7.722 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.208 3.057 9.656 1.00 0.00 C ATOM 0 H LEU A 3 -4.526 5.154 9.144 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.753 5.698 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.251 4.489 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.503 4.566 7.398 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.314 3.069 9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.381 1.045 8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.276 2.047 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.497 2.066 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.216 2.096 10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.289 3.151 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.260 3.861 10.390 1.00 0.00 H new ATOM 43 N LYS A 4 -1.161 7.591 8.163 1.00 0.00 N ATOM 44 CA LYS A 4 -0.752 8.698 7.310 1.00 0.00 C ATOM 45 C LYS A 4 -0.021 8.151 6.093 1.00 0.00 C ATOM 46 O LYS A 4 0.529 7.054 6.140 1.00 0.00 O ATOM 47 CB LYS A 4 0.189 9.634 8.075 1.00 0.00 C ATOM 48 CG LYS A 4 -0.501 10.615 9.003 1.00 0.00 C ATOM 49 CD LYS A 4 -1.065 11.792 8.230 1.00 0.00 C ATOM 50 CE LYS A 4 -1.561 12.889 9.157 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.821 12.518 9.848 1.00 0.00 N ATOM 0 H LYS A 4 -0.469 7.331 8.866 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.638 9.252 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.883 9.030 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.784 10.195 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.304 10.110 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.207 10.972 9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.298 12.194 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.885 11.452 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.794 13.108 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.720 13.802 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.146 13.317 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.548 12.285 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.653 11.692 10.457 1.00 0.00 H new ATOM 61 N TRP A 5 0.010 8.929 5.017 1.00 0.00 N ATOM 62 CA TRP A 5 0.728 8.535 3.808 1.00 0.00 C ATOM 63 C TRP A 5 2.231 8.575 4.044 1.00 0.00 C ATOM 64 O TRP A 5 3.011 8.017 3.274 1.00 0.00 O ATOM 65 CB TRP A 5 0.372 9.450 2.638 1.00 0.00 C ATOM 66 CG TRP A 5 -0.996 9.220 2.077 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.052 10.077 2.125 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.453 8.056 1.373 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.132 9.527 1.484 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.791 8.289 1.016 1.00 0.00 C ATOM 71 CE3 TRP A 5 -0.863 6.844 1.008 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.545 7.360 0.307 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.614 5.921 0.307 1.00 0.00 C ATOM 74 CH2 TRP A 5 -2.942 6.185 -0.039 1.00 0.00 C ATOM 0 H TRP A 5 -0.453 9.836 4.956 1.00 0.00 H new ATOM 0 HA TRP A 5 0.429 7.516 3.561 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.449 10.487 2.965 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.107 9.310 1.845 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.041 11.048 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.044 9.971 1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.163 6.632 1.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.572 7.561 0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.168 4.980 0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.502 5.445 -0.591 1.00 0.00 H new ATOM 84 N THR A 6 2.627 9.254 5.110 1.00 0.00 N ATOM 85 CA THR A 6 4.025 9.345 5.487 1.00 0.00 C ATOM 86 C THR A 6 4.485 8.043 6.149 1.00 0.00 C ATOM 87 O THR A 6 5.679 7.740 6.197 1.00 0.00 O ATOM 88 CB THR A 6 4.252 10.534 6.447 1.00 0.00 C ATOM 89 OG1 THR A 6 3.538 11.689 5.974 1.00 0.00 O ATOM 90 CG2 THR A 6 5.731 10.876 6.556 1.00 0.00 C ATOM 0 H THR A 6 1.992 9.753 5.733 1.00 0.00 H new ATOM 0 HA THR A 6 4.613 9.508 4.584 1.00 0.00 H new ATOM 0 HB THR A 6 3.884 10.245 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.685 12.439 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.861 11.716 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.277 10.013 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.116 11.144 5.572 1.00 0.00 H new ATOM 98 N ASP A 7 3.525 7.257 6.632 1.00 0.00 N ATOM 99 CA ASP A 7 3.824 5.997 7.308 1.00 0.00 C ATOM 100 C ASP A 7 3.961 4.870 6.289 1.00 0.00 C ATOM 101 O ASP A 7 3.196 3.905 6.304 1.00 0.00 O ATOM 102 CB ASP A 7 2.729 5.657 8.327 1.00 0.00 C ATOM 103 CG ASP A 7 2.601 6.700 9.419 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.590 6.930 10.149 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.512 7.295 9.559 1.00 0.00 O ATOM 0 H ASP A 7 2.530 7.472 6.567 1.00 0.00 H new ATOM 0 HA ASP A 7 4.769 6.109 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.775 5.560 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.947 4.689 8.779 1.00 0.00 H new ATOM 109 N SER A 8 4.963 4.996 5.428 1.00 0.00 N ATOM 110 CA SER A 8 5.155 4.097 4.293 1.00 0.00 C ATOM 111 C SER A 8 5.195 2.620 4.696 1.00 0.00 C ATOM 112 O SER A 8 4.553 1.781 4.061 1.00 0.00 O ATOM 113 CB SER A 8 6.439 4.477 3.568 1.00 0.00 C ATOM 114 OG SER A 8 7.533 4.546 4.473 1.00 0.00 O ATOM 0 H SER A 8 5.670 5.728 5.496 1.00 0.00 H new ATOM 0 HA SER A 8 4.294 4.213 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.652 3.744 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.310 5.440 3.073 1.00 0.00 H new ATOM 0 HG SER A 8 8.347 4.790 3.984 1.00 0.00 H new ATOM 119 N ARG A 9 5.926 2.303 5.758 1.00 0.00 N ATOM 120 CA ARG A 9 6.099 0.913 6.163 1.00 0.00 C ATOM 121 C ARG A 9 4.803 0.357 6.722 1.00 0.00 C ATOM 122 O ARG A 9 4.368 -0.718 6.331 1.00 0.00 O ATOM 123 CB ARG A 9 7.212 0.762 7.203 1.00 0.00 C ATOM 124 CG ARG A 9 7.308 -0.651 7.765 1.00 0.00 C ATOM 125 CD ARG A 9 8.343 -0.747 8.871 1.00 0.00 C ATOM 126 NE ARG A 9 8.341 -2.060 9.515 1.00 0.00 N ATOM 127 CZ ARG A 9 9.442 -2.684 9.942 1.00 0.00 C ATOM 128 NH1 ARG A 9 10.639 -2.136 9.753 1.00 0.00 N ATOM 129 NH2 ARG A 9 9.350 -3.860 10.552 1.00 0.00 N ATOM 0 H ARG A 9 6.405 2.982 6.350 1.00 0.00 H new ATOM 0 HA ARG A 9 6.383 0.350 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.165 1.033 6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.037 1.462 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.335 -0.956 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.566 -1.344 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.332 -0.547 8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.147 0.023 9.618 1.00 0.00 H new ATOM 0 HE ARG A 9 7.444 -2.528 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.719 -1.236 9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.477 -2.616 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.436 -4.290 10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.193 -4.333 10.877 1.00 0.00 H new ATOM 140 N GLU A 10 4.178 1.105 7.620 1.00 0.00 N ATOM 141 CA GLU A 10 2.966 0.640 8.280 1.00 0.00 C ATOM 142 C GLU A 10 1.828 0.475 7.278 1.00 0.00 C ATOM 143 O GLU A 10 0.900 -0.304 7.498 1.00 0.00 O ATOM 144 CB GLU A 10 2.576 1.589 9.413 1.00 0.00 C ATOM 145 CG GLU A 10 3.662 1.711 10.473 1.00 0.00 C ATOM 146 CD GLU A 10 3.197 2.421 11.724 1.00 0.00 C ATOM 147 OE1 GLU A 10 2.532 1.777 12.562 1.00 0.00 O ATOM 148 OE2 GLU A 10 3.515 3.616 11.891 1.00 0.00 O ATOM 0 H GLU A 10 4.488 2.033 7.908 1.00 0.00 H new ATOM 0 HA GLU A 10 3.165 -0.340 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.364 2.575 9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.657 1.235 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.015 0.714 10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.512 2.249 10.053 1.00 0.00 H new ATOM 153 N ILE A 11 1.917 1.192 6.164 1.00 0.00 N ATOM 154 CA ILE A 11 0.976 1.012 5.071 1.00 0.00 C ATOM 155 C ILE A 11 1.325 -0.254 4.289 1.00 0.00 C ATOM 156 O ILE A 11 0.447 -1.049 3.946 1.00 0.00 O ATOM 157 CB ILE A 11 0.961 2.228 4.122 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.495 3.479 4.869 1.00 0.00 C ATOM 159 CG2 ILE A 11 0.063 1.955 2.928 1.00 0.00 C ATOM 160 CD1 ILE A 11 0.506 4.733 4.023 1.00 0.00 C ATOM 0 H ILE A 11 2.630 1.901 5.996 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.020 0.916 5.502 1.00 0.00 H new ATOM 0 HB ILE A 11 1.974 2.400 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.515 3.313 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.135 3.632 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.062 2.822 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.434 1.085 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.953 1.761 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.163 5.578 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.519 4.925 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.157 4.601 3.168 1.00 0.00 H new ATOM 171 N GLY A 12 2.617 -0.440 4.031 1.00 0.00 N ATOM 172 CA GLY A 12 3.086 -1.644 3.368 1.00 0.00 C ATOM 173 C GLY A 12 2.724 -2.895 4.145 1.00 0.00 C ATOM 174 O GLY A 12 2.262 -3.886 3.571 1.00 0.00 O ATOM 0 H GLY A 12 3.351 0.226 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.654 -1.700 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.168 -1.593 3.246 1.00 0.00 H new ATOM 178 N GLU A 13 2.915 -2.833 5.460 1.00 0.00 N ATOM 179 CA GLU A 13 2.587 -3.937 6.348 1.00 0.00 C ATOM 180 C GLU A 13 1.112 -4.297 6.233 1.00 0.00 C ATOM 181 O GLU A 13 0.754 -5.471 6.192 1.00 0.00 O ATOM 182 CB GLU A 13 2.932 -3.576 7.797 1.00 0.00 C ATOM 183 CG GLU A 13 4.399 -3.230 8.001 1.00 0.00 C ATOM 184 CD GLU A 13 4.718 -2.818 9.423 1.00 0.00 C ATOM 185 OE1 GLU A 13 3.922 -2.069 10.030 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.774 -3.244 9.947 1.00 0.00 O ATOM 0 H GLU A 13 3.300 -2.017 5.936 1.00 0.00 H new ATOM 0 HA GLU A 13 3.179 -4.803 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.320 -2.729 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.670 -4.413 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.010 -4.091 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.673 -2.421 7.324 1.00 0.00 H new ATOM 191 N ALA A 14 0.261 -3.276 6.156 1.00 0.00 N ATOM 192 CA ALA A 14 -1.176 -3.481 6.019 1.00 0.00 C ATOM 193 C ALA A 14 -1.499 -4.223 4.727 1.00 0.00 C ATOM 194 O ALA A 14 -2.325 -5.135 4.708 1.00 0.00 O ATOM 195 CB ALA A 14 -1.909 -2.148 6.043 1.00 0.00 C ATOM 0 H ALA A 14 0.544 -2.297 6.186 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.510 -4.086 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.980 -2.320 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.712 -1.642 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.560 -1.526 5.219 1.00 0.00 H new ATOM 201 N LEU A 15 -0.831 -3.832 3.652 1.00 0.00 N ATOM 202 CA LEU A 15 -1.078 -4.430 2.349 1.00 0.00 C ATOM 203 C LEU A 15 -0.540 -5.854 2.290 1.00 0.00 C ATOM 204 O LEU A 15 -1.169 -6.736 1.710 1.00 0.00 O ATOM 205 CB LEU A 15 -0.461 -3.579 1.238 1.00 0.00 C ATOM 206 CG LEU A 15 -0.976 -2.136 1.164 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.471 -1.455 -0.094 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.497 -2.099 1.229 1.00 0.00 C ATOM 0 H LEU A 15 -0.115 -3.105 3.656 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.157 -4.468 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.620 -3.556 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.650 -4.066 0.281 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.591 -1.591 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.846 -0.432 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.619 -1.442 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.822 -2.001 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.838 -1.065 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.911 -2.662 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.832 -2.543 2.166 1.00 0.00 H new ATOM 219 N TYR A 16 0.617 -6.079 2.901 1.00 0.00 N ATOM 220 CA TYR A 16 1.201 -7.413 2.958 1.00 0.00 C ATOM 221 C TYR A 16 0.377 -8.320 3.873 1.00 0.00 C ATOM 222 O TYR A 16 0.216 -9.508 3.601 1.00 0.00 O ATOM 223 CB TYR A 16 2.656 -7.349 3.443 1.00 0.00 C ATOM 224 CG TYR A 16 3.317 -8.706 3.559 1.00 0.00 C ATOM 225 CD1 TYR A 16 3.861 -9.334 2.444 1.00 0.00 C ATOM 226 CD2 TYR A 16 3.386 -9.366 4.781 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.454 -10.579 2.547 1.00 0.00 C ATOM 228 CE2 TYR A 16 3.973 -10.609 4.889 1.00 0.00 C ATOM 229 CZ TYR A 16 4.506 -11.211 3.771 1.00 0.00 C ATOM 230 OH TYR A 16 5.086 -12.454 3.880 1.00 0.00 O ATOM 0 H TYR A 16 1.168 -5.356 3.363 1.00 0.00 H new ATOM 0 HA TYR A 16 1.191 -7.832 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.233 -6.731 2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.685 -6.856 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.820 -8.842 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.972 -8.897 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.874 -11.054 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.015 -11.108 5.846 1.00 0.00 H new ATOM 0 HH TYR A 16 5.040 -12.756 4.811 1.00 0.00 H new ATOM 239 N ASP A 17 -0.141 -7.751 4.958 1.00 0.00 N ATOM 240 CA ASP A 17 -0.978 -8.499 5.897 1.00 0.00 C ATOM 241 C ASP A 17 -2.254 -8.979 5.216 1.00 0.00 C ATOM 242 O ASP A 17 -2.721 -10.093 5.452 1.00 0.00 O ATOM 243 CB ASP A 17 -1.328 -7.629 7.109 1.00 0.00 C ATOM 244 CG ASP A 17 -2.202 -8.351 8.116 1.00 0.00 C ATOM 245 OD1 ASP A 17 -1.669 -9.151 8.908 1.00 0.00 O ATOM 246 OD2 ASP A 17 -3.425 -8.106 8.135 1.00 0.00 O ATOM 0 H ASP A 17 0.003 -6.773 5.211 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.416 -9.369 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.408 -7.307 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.840 -6.729 6.769 1.00 0.00 H new ATOM 250 N ALA A 18 -2.806 -8.132 4.363 1.00 0.00 N ATOM 251 CA ALA A 18 -4.017 -8.466 3.633 1.00 0.00 C ATOM 252 C ALA A 18 -3.715 -9.354 2.429 1.00 0.00 C ATOM 253 O ALA A 18 -4.447 -10.302 2.149 1.00 0.00 O ATOM 254 CB ALA A 18 -4.734 -7.201 3.189 1.00 0.00 C ATOM 0 H ALA A 18 -2.433 -7.205 4.159 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.668 -9.024 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.639 -7.468 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.999 -6.607 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.078 -6.619 2.541 1.00 0.00 H new ATOM 260 N TYR A 19 -2.632 -9.052 1.720 1.00 0.00 N ATOM 261 CA TYR A 19 -2.293 -9.783 0.504 1.00 0.00 C ATOM 262 C TYR A 19 -0.852 -10.295 0.547 1.00 0.00 C ATOM 263 O TYR A 19 0.031 -9.735 -0.105 1.00 0.00 O ATOM 264 CB TYR A 19 -2.476 -8.880 -0.719 1.00 0.00 C ATOM 265 CG TYR A 19 -3.829 -8.215 -0.798 1.00 0.00 C ATOM 266 CD1 TYR A 19 -4.952 -8.922 -1.203 1.00 0.00 C ATOM 267 CD2 TYR A 19 -3.979 -6.872 -0.472 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.188 -8.312 -1.276 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.210 -6.256 -0.543 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.311 -6.981 -0.947 1.00 0.00 C ATOM 271 OH TYR A 19 -7.543 -6.371 -1.022 1.00 0.00 O ATOM 0 H TYR A 19 -1.977 -8.310 1.965 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.962 -10.641 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.705 -8.110 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.321 -9.472 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.858 -9.965 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.117 -6.302 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.054 -8.876 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.311 -5.212 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.489 -5.598 -1.622 1.00 0.00 H new ATOM 280 N PRO A 20 -0.589 -11.365 1.313 1.00 0.00 N ATOM 281 CA PRO A 20 0.750 -11.946 1.410 1.00 0.00 C ATOM 282 C PRO A 20 1.084 -12.841 0.217 1.00 0.00 C ATOM 283 O PRO A 20 2.248 -12.986 -0.159 1.00 0.00 O ATOM 284 CB PRO A 20 0.679 -12.763 2.698 1.00 0.00 C ATOM 285 CG PRO A 20 -0.751 -13.168 2.812 1.00 0.00 C ATOM 286 CD PRO A 20 -1.563 -12.074 2.167 1.00 0.00 C ATOM 0 HA PRO A 20 1.531 -11.186 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.334 -13.633 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.993 -12.173 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.924 -14.123 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.035 -13.296 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.387 -12.481 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.000 -11.409 2.912 1.00 0.00 H new ATOM 291 N ASP A 21 0.054 -13.428 -0.381 1.00 0.00 N ATOM 292 CA ASP A 21 0.238 -14.341 -1.507 1.00 0.00 C ATOM 293 C ASP A 21 0.189 -13.586 -2.824 1.00 0.00 C ATOM 294 O ASP A 21 0.430 -14.153 -3.892 1.00 0.00 O ATOM 295 CB ASP A 21 -0.833 -15.439 -1.506 1.00 0.00 C ATOM 296 CG ASP A 21 -0.783 -16.307 -0.266 1.00 0.00 C ATOM 297 OD1 ASP A 21 0.151 -17.126 -0.139 1.00 0.00 O ATOM 298 OD2 ASP A 21 -1.678 -16.175 0.597 1.00 0.00 O ATOM 0 H ASP A 21 -0.918 -13.289 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 21 1.218 -14.806 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.818 -14.979 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.705 -16.066 -2.388 1.00 0.00 H new ATOM 302 N LEU A 22 -0.127 -12.303 -2.749 1.00 0.00 N ATOM 303 CA LEU A 22 -0.256 -11.486 -3.941 1.00 0.00 C ATOM 304 C LEU A 22 1.075 -10.806 -4.247 1.00 0.00 C ATOM 305 O LEU A 22 1.551 -9.976 -3.473 1.00 0.00 O ATOM 306 CB LEU A 22 -1.362 -10.445 -3.750 1.00 0.00 C ATOM 307 CG LEU A 22 -2.249 -10.185 -4.974 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.330 -9.168 -4.643 1.00 0.00 C ATOM 309 CD2 LEU A 22 -1.423 -9.711 -6.158 1.00 0.00 C ATOM 0 H LEU A 22 -0.299 -11.807 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.526 -12.122 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.998 -10.765 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.902 -9.503 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.726 -11.126 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.950 -8.996 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.950 -9.548 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.866 -8.230 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.078 -9.535 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.910 -8.785 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.687 -10.473 -6.417 1.00 0.00 H new ATOM 320 N ASP A 23 1.674 -11.183 -5.372 1.00 0.00 N ATOM 321 CA ASP A 23 2.951 -10.616 -5.794 1.00 0.00 C ATOM 322 C ASP A 23 2.800 -9.132 -6.093 1.00 0.00 C ATOM 323 O ASP A 23 2.035 -8.744 -6.976 1.00 0.00 O ATOM 324 CB ASP A 23 3.487 -11.332 -7.042 1.00 0.00 C ATOM 325 CG ASP A 23 3.799 -12.797 -6.804 1.00 0.00 C ATOM 326 OD1 ASP A 23 4.846 -13.095 -6.194 1.00 0.00 O ATOM 327 OD2 ASP A 23 2.999 -13.655 -7.233 1.00 0.00 O ATOM 0 H ASP A 23 1.294 -11.882 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 23 3.660 -10.753 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.753 -11.249 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.390 -10.826 -7.383 1.00 0.00 H new ATOM 331 N PRO A 24 3.540 -8.281 -5.365 1.00 0.00 N ATOM 332 CA PRO A 24 3.475 -6.822 -5.528 1.00 0.00 C ATOM 333 C PRO A 24 3.859 -6.371 -6.936 1.00 0.00 C ATOM 334 O PRO A 24 3.590 -5.240 -7.329 1.00 0.00 O ATOM 335 CB PRO A 24 4.479 -6.287 -4.502 1.00 0.00 C ATOM 336 CG PRO A 24 5.344 -7.450 -4.150 1.00 0.00 C ATOM 337 CD PRO A 24 4.488 -8.672 -4.309 1.00 0.00 C ATOM 0 HA PRO A 24 2.461 -6.451 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.069 -5.471 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.970 -5.895 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.216 -7.498 -4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.714 -7.364 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.077 -9.542 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.975 -8.928 -3.382 1.00 0.00 H new ATOM 342 N LYS A 25 4.478 -7.268 -7.694 1.00 0.00 N ATOM 343 CA LYS A 25 4.850 -6.982 -9.070 1.00 0.00 C ATOM 344 C LYS A 25 3.612 -6.800 -9.945 1.00 0.00 C ATOM 345 O LYS A 25 3.585 -5.933 -10.815 1.00 0.00 O ATOM 346 CB LYS A 25 5.723 -8.104 -9.637 1.00 0.00 C ATOM 347 CG LYS A 25 7.127 -8.147 -9.056 1.00 0.00 C ATOM 348 CD LYS A 25 7.929 -6.913 -9.446 1.00 0.00 C ATOM 349 CE LYS A 25 9.375 -7.012 -8.982 1.00 0.00 C ATOM 350 NZ LYS A 25 10.059 -8.208 -9.541 1.00 0.00 N ATOM 0 H LYS A 25 4.733 -8.203 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 25 5.419 -6.052 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.234 -9.060 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.792 -7.986 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.071 -8.218 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.640 -9.042 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.902 -6.788 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.467 -6.026 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.914 -6.113 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.404 -7.054 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.089 -8.094 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.756 -9.056 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.812 -8.311 -10.546 1.00 0.00 H new ATOM 360 N THR A 26 2.584 -7.609 -9.705 1.00 0.00 N ATOM 361 CA THR A 26 1.368 -7.540 -10.505 1.00 0.00 C ATOM 362 C THR A 26 0.354 -6.575 -9.883 1.00 0.00 C ATOM 363 O THR A 26 -0.782 -6.458 -10.353 1.00 0.00 O ATOM 364 CB THR A 26 0.731 -8.936 -10.704 1.00 0.00 C ATOM 365 OG1 THR A 26 -0.360 -8.852 -11.629 1.00 0.00 O ATOM 366 CG2 THR A 26 0.229 -9.514 -9.390 1.00 0.00 C ATOM 0 H THR A 26 2.569 -8.314 -8.968 1.00 0.00 H new ATOM 0 HA THR A 26 1.652 -7.160 -11.487 1.00 0.00 H new ATOM 0 HB THR A 26 1.504 -9.596 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.856 -8.021 -11.475 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.212 -10.495 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.062 -9.612 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.523 -8.850 -8.964 1.00 0.00 H new ATOM 374 N VAL A 27 0.764 -5.887 -8.824 1.00 0.00 N ATOM 375 CA VAL A 27 -0.085 -4.887 -8.195 1.00 0.00 C ATOM 376 C VAL A 27 0.252 -3.510 -8.740 1.00 0.00 C ATOM 377 O VAL A 27 1.335 -2.979 -8.489 1.00 0.00 O ATOM 378 CB VAL A 27 0.060 -4.872 -6.656 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.911 -3.879 -6.036 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.162 -6.261 -6.081 1.00 0.00 C ATOM 0 H VAL A 27 1.677 -6.004 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.117 -5.150 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 27 1.076 -4.559 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.793 -3.883 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.704 -2.880 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.932 -4.161 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.055 -6.227 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.164 -6.605 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.574 -6.949 -6.497 1.00 0.00 H new ATOM 390 N ARG A 28 -0.665 -2.944 -9.505 1.00 0.00 N ATOM 391 CA ARG A 28 -0.464 -1.628 -10.082 1.00 0.00 C ATOM 392 C ARG A 28 -0.854 -0.554 -9.075 1.00 0.00 C ATOM 393 O ARG A 28 -1.507 -0.855 -8.072 1.00 0.00 O ATOM 394 CB ARG A 28 -1.287 -1.481 -11.365 1.00 0.00 C ATOM 395 CG ARG A 28 -0.955 -2.521 -12.425 1.00 0.00 C ATOM 396 CD ARG A 28 -2.059 -2.623 -13.465 1.00 0.00 C ATOM 397 NE ARG A 28 -3.332 -2.998 -12.853 1.00 0.00 N ATOM 398 CZ ARG A 28 -4.471 -3.171 -13.516 1.00 0.00 C ATOM 399 NH1 ARG A 28 -4.503 -3.060 -14.839 1.00 0.00 N ATOM 400 NH2 ARG A 28 -5.578 -3.470 -12.848 1.00 0.00 N ATOM 0 H ARG A 28 -1.558 -3.377 -9.741 1.00 0.00 H new ATOM 0 HA ARG A 28 0.590 -1.508 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.346 -1.552 -11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.123 -0.486 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.016 -2.259 -12.913 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.808 -3.492 -11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.167 -1.668 -13.978 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.784 -3.361 -14.219 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.348 -3.137 -11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.650 -2.841 -15.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.381 -3.194 -15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.551 -3.566 -11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.456 -3.604 -13.350 1.00 0.00 H new ATOM 411 N PHE A 29 -0.463 0.686 -9.329 1.00 0.00 N ATOM 412 CA PHE A 29 -0.796 1.782 -8.426 1.00 0.00 C ATOM 413 C PHE A 29 -2.308 1.924 -8.297 1.00 0.00 C ATOM 414 O PHE A 29 -2.824 2.241 -7.223 1.00 0.00 O ATOM 415 CB PHE A 29 -0.177 3.098 -8.904 1.00 0.00 C ATOM 416 CG PHE A 29 1.325 3.115 -8.845 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.982 3.158 -7.626 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.080 3.090 -10.007 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.362 3.173 -7.567 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.460 3.105 -9.954 1.00 0.00 C ATOM 421 CZ PHE A 29 4.102 3.146 -8.733 1.00 0.00 C ATOM 0 H PHE A 29 0.082 0.959 -10.147 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.380 1.549 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.494 3.287 -9.930 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.565 3.914 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.408 3.180 -6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.583 3.058 -10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.862 3.206 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.036 3.085 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.181 3.157 -8.689 1.00 0.00 H new ATOM 430 N THR A 30 -3.013 1.660 -9.390 1.00 0.00 N ATOM 431 CA THR A 30 -4.464 1.703 -9.399 1.00 0.00 C ATOM 432 C THR A 30 -5.050 0.663 -8.450 1.00 0.00 C ATOM 433 O THR A 30 -5.849 0.998 -7.570 1.00 0.00 O ATOM 434 CB THR A 30 -5.003 1.474 -10.820 1.00 0.00 C ATOM 435 OG1 THR A 30 -4.188 0.504 -11.493 1.00 0.00 O ATOM 436 CG2 THR A 30 -5.020 2.772 -11.612 1.00 0.00 C ATOM 0 H THR A 30 -2.596 1.412 -10.287 1.00 0.00 H new ATOM 0 HA THR A 30 -4.768 2.693 -9.059 1.00 0.00 H new ATOM 0 HB THR A 30 -6.026 1.106 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.534 0.358 -12.398 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.406 2.582 -12.614 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.659 3.497 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.007 3.169 -11.682 1.00 0.00 H new ATOM 444 N ASP A 31 -4.627 -0.593 -8.614 1.00 0.00 N ATOM 445 CA ASP A 31 -5.106 -1.686 -7.767 1.00 0.00 C ATOM 446 C ASP A 31 -4.766 -1.405 -6.319 1.00 0.00 C ATOM 447 O ASP A 31 -5.616 -1.499 -5.433 1.00 0.00 O ATOM 448 CB ASP A 31 -4.464 -3.026 -8.150 1.00 0.00 C ATOM 449 CG ASP A 31 -4.575 -3.362 -9.617 1.00 0.00 C ATOM 450 OD1 ASP A 31 -5.689 -3.681 -10.088 1.00 0.00 O ATOM 451 OD2 ASP A 31 -3.538 -3.338 -10.304 1.00 0.00 O ATOM 0 H ASP A 31 -3.954 -0.877 -9.326 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.185 -1.752 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.410 -3.005 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.932 -3.821 -7.569 1.00 0.00 H new ATOM 455 N MET A 32 -3.510 -1.053 -6.094 1.00 0.00 N ATOM 456 CA MET A 32 -3.005 -0.814 -4.756 1.00 0.00 C ATOM 457 C MET A 32 -3.784 0.307 -4.080 1.00 0.00 C ATOM 458 O MET A 32 -4.116 0.211 -2.900 1.00 0.00 O ATOM 459 CB MET A 32 -1.521 -0.455 -4.804 1.00 0.00 C ATOM 460 CG MET A 32 -0.770 -0.804 -3.528 1.00 0.00 C ATOM 461 SD MET A 32 0.874 -0.077 -3.463 1.00 0.00 S ATOM 462 CE MET A 32 0.459 1.652 -3.259 1.00 0.00 C ATOM 0 H MET A 32 -2.817 -0.926 -6.831 1.00 0.00 H new ATOM 0 HA MET A 32 -3.132 -1.729 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.057 -0.974 -5.643 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.420 0.613 -4.995 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.347 -0.463 -2.668 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.686 -1.888 -3.446 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.372 2.247 -3.255 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.180 1.972 -4.082 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.069 1.791 -2.315 1.00 0.00 H new ATOM 470 N HIS A 33 -4.088 1.363 -4.836 1.00 0.00 N ATOM 471 CA HIS A 33 -4.811 2.507 -4.291 1.00 0.00 C ATOM 472 C HIS A 33 -6.221 2.110 -3.887 1.00 0.00 C ATOM 473 O HIS A 33 -6.747 2.612 -2.899 1.00 0.00 O ATOM 474 CB HIS A 33 -4.874 3.663 -5.292 1.00 0.00 C ATOM 475 CG HIS A 33 -5.378 4.937 -4.676 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.641 5.446 -4.891 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.778 5.792 -3.818 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.791 6.557 -4.190 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.675 6.788 -3.532 1.00 0.00 N ATOM 0 H HIS A 33 -3.845 1.448 -5.823 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.263 2.842 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.881 3.833 -5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.523 3.384 -6.122 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.349 5.030 -5.496 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.774 5.706 -3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.679 7.171 -4.162 1.00 0.00 H new ATOM 487 N GLN A 34 -6.820 1.202 -4.645 1.00 0.00 N ATOM 488 CA GLN A 34 -8.175 0.749 -4.364 1.00 0.00 C ATOM 489 C GLN A 34 -8.247 0.103 -2.992 1.00 0.00 C ATOM 490 O GLN A 34 -9.102 0.447 -2.175 1.00 0.00 O ATOM 491 CB GLN A 34 -8.640 -0.248 -5.426 1.00 0.00 C ATOM 492 CG GLN A 34 -8.834 0.371 -6.796 1.00 0.00 C ATOM 493 CD GLN A 34 -9.932 1.420 -6.815 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.864 2.387 -7.573 1.00 0.00 O ATOM 495 NE2 GLN A 34 -10.958 1.229 -5.998 1.00 0.00 N ATOM 0 H GLN A 34 -6.389 0.765 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.832 1.619 -4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.910 -1.054 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.579 -0.698 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.898 0.825 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.074 -0.413 -7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.977 0.414 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.729 1.897 -5.983 1.00 0.00 H new ATOM 502 N TRP A 35 -7.324 -0.811 -2.739 1.00 0.00 N ATOM 503 CA TRP A 35 -7.315 -1.559 -1.495 1.00 0.00 C ATOM 504 C TRP A 35 -6.844 -0.686 -0.337 1.00 0.00 C ATOM 505 O TRP A 35 -7.412 -0.733 0.752 1.00 0.00 O ATOM 506 CB TRP A 35 -6.421 -2.793 -1.625 1.00 0.00 C ATOM 507 CG TRP A 35 -6.769 -3.656 -2.800 1.00 0.00 C ATOM 508 CD1 TRP A 35 -8.021 -3.962 -3.252 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.852 -4.332 -3.668 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.937 -4.779 -4.353 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.619 -5.022 -4.627 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.459 -4.419 -3.730 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -6.039 -5.787 -5.634 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.886 -5.179 -4.730 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.674 -5.855 -5.671 1.00 0.00 C ATOM 0 H TRP A 35 -6.570 -1.052 -3.382 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.335 -1.882 -1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.383 -2.473 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.496 -3.385 -0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.942 -3.613 -2.809 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.729 -5.145 -4.881 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.842 -3.902 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.645 -6.308 -6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.810 -5.254 -4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -4.194 -6.441 -6.441 1.00 0.00 H new ATOM 525 N ILE A 36 -5.817 0.124 -0.582 1.00 0.00 N ATOM 526 CA ILE A 36 -5.230 0.952 0.467 1.00 0.00 C ATOM 527 C ILE A 36 -6.190 2.081 0.870 1.00 0.00 C ATOM 528 O ILE A 36 -6.246 2.471 2.033 1.00 0.00 O ATOM 529 CB ILE A 36 -3.833 1.504 0.039 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.960 1.843 1.261 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.954 2.717 -0.873 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.331 3.126 1.979 1.00 0.00 C ATOM 0 H ILE A 36 -5.375 0.224 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.070 0.326 1.345 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.345 0.708 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.019 1.018 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.921 1.913 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.959 3.068 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.501 2.441 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.489 3.512 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.659 3.277 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.243 3.967 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.358 3.058 2.339 1.00 0.00 H new ATOM 543 N CYS A 37 -6.983 2.571 -0.079 1.00 0.00 N ATOM 544 CA CYS A 37 -7.950 3.625 0.213 1.00 0.00 C ATOM 545 C CYS A 37 -9.138 3.058 0.983 1.00 0.00 C ATOM 546 O CYS A 37 -9.887 3.796 1.625 1.00 0.00 O ATOM 547 CB CYS A 37 -8.432 4.291 -1.081 1.00 0.00 C ATOM 548 SG CYS A 37 -9.627 5.624 -0.827 1.00 0.00 S ATOM 0 H CYS A 37 -6.976 2.258 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.458 4.378 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.569 4.689 -1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.882 3.532 -1.721 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.295 5.405 0.266 1.00 0.00 H new ATOM 553 N ASP A 38 -9.295 1.743 0.927 1.00 0.00 N ATOM 554 CA ASP A 38 -10.416 1.079 1.574 1.00 0.00 C ATOM 555 C ASP A 38 -9.921 0.248 2.759 1.00 0.00 C ATOM 556 O ASP A 38 -10.547 -0.734 3.163 1.00 0.00 O ATOM 557 CB ASP A 38 -11.156 0.206 0.553 1.00 0.00 C ATOM 558 CG ASP A 38 -12.547 -0.193 1.006 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.228 0.627 1.662 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.982 -1.319 0.682 1.00 0.00 O ATOM 0 H ASP A 38 -8.658 1.114 0.438 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.112 1.826 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.229 0.745 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.571 -0.694 0.362 1.00 0.00 H new ATOM 564 N LEU A 39 -8.783 0.654 3.307 1.00 0.00 N ATOM 565 CA LEU A 39 -8.218 0.007 4.484 1.00 0.00 C ATOM 566 C LEU A 39 -8.907 0.500 5.746 1.00 0.00 C ATOM 567 O LEU A 39 -9.277 1.668 5.854 1.00 0.00 O ATOM 568 CB LEU A 39 -6.715 0.281 4.589 1.00 0.00 C ATOM 569 CG LEU A 39 -5.832 -0.434 3.568 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.369 -0.145 3.854 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.093 -1.930 3.593 1.00 0.00 C ATOM 0 H LEU A 39 -8.230 1.434 2.952 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.377 -1.066 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.554 1.355 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.383 -0.001 5.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.075 -0.062 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.747 -0.659 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.191 0.929 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.117 -0.497 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.455 -2.423 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.873 -2.321 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.139 -2.121 3.351 1.00 0.00 H new ATOM 582 N GLU A 40 -9.062 -0.408 6.700 1.00 0.00 N ATOM 583 CA GLU A 40 -9.710 -0.100 7.965 1.00 0.00 C ATOM 584 C GLU A 40 -8.818 0.797 8.819 1.00 0.00 C ATOM 585 O GLU A 40 -9.310 1.648 9.560 1.00 0.00 O ATOM 586 CB GLU A 40 -10.030 -1.395 8.718 1.00 0.00 C ATOM 587 CG GLU A 40 -10.861 -1.190 9.974 1.00 0.00 C ATOM 588 CD GLU A 40 -12.279 -0.751 9.673 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.143 -1.629 9.475 1.00 0.00 O ATOM 590 OE2 GLU A 40 -12.543 0.470 9.652 1.00 0.00 O ATOM 0 H GLU A 40 -8.744 -1.374 6.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.639 0.431 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.563 -2.070 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.095 -1.886 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.886 -2.119 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.380 -0.442 10.605 1.00 0.00 H new ATOM 595 N ASP A 41 -7.506 0.615 8.706 1.00 0.00 N ATOM 596 CA ASP A 41 -6.562 1.407 9.490 1.00 0.00 C ATOM 597 C ASP A 41 -6.252 2.715 8.779 1.00 0.00 C ATOM 598 O ASP A 41 -5.766 3.669 9.390 1.00 0.00 O ATOM 599 CB ASP A 41 -5.251 0.648 9.728 1.00 0.00 C ATOM 600 CG ASP A 41 -5.443 -0.702 10.393 1.00 0.00 C ATOM 601 OD1 ASP A 41 -5.602 -0.750 11.632 1.00 0.00 O ATOM 602 OD2 ASP A 41 -5.417 -1.727 9.677 1.00 0.00 O ATOM 0 H ASP A 41 -7.074 -0.068 8.084 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.030 1.608 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.745 0.505 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.595 1.259 10.348 1.00 0.00 H new ATOM 606 N PHE A 42 -6.527 2.763 7.484 1.00 0.00 N ATOM 607 CA PHE A 42 -6.275 3.964 6.707 1.00 0.00 C ATOM 608 C PHE A 42 -7.377 4.987 6.928 1.00 0.00 C ATOM 609 O PHE A 42 -8.563 4.678 6.799 1.00 0.00 O ATOM 610 CB PHE A 42 -6.153 3.649 5.215 1.00 0.00 C ATOM 611 CG PHE A 42 -6.033 4.882 4.362 1.00 0.00 C ATOM 612 CD1 PHE A 42 -4.884 5.655 4.397 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.079 5.281 3.543 1.00 0.00 C ATOM 614 CE1 PHE A 42 -4.779 6.798 3.631 1.00 0.00 C ATOM 615 CE2 PHE A 42 -6.979 6.426 2.776 1.00 0.00 C ATOM 616 CZ PHE A 42 -5.827 7.185 2.822 1.00 0.00 C ATOM 0 H PHE A 42 -6.923 1.988 6.953 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.327 4.380 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.281 3.016 5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.025 3.078 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.061 5.360 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.982 4.690 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.876 7.390 3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.800 6.726 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.746 8.081 2.225 1.00 0.00 H new ATOM 625 N ASP A 43 -6.973 6.205 7.252 1.00 0.00 N ATOM 626 CA ASP A 43 -7.912 7.287 7.494 1.00 0.00 C ATOM 627 C ASP A 43 -7.174 8.614 7.601 1.00 0.00 C ATOM 628 O ASP A 43 -6.677 8.977 8.666 1.00 0.00 O ATOM 629 CB ASP A 43 -8.718 7.020 8.769 1.00 0.00 C ATOM 630 CG ASP A 43 -9.594 8.191 9.160 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.290 8.742 8.285 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.566 8.587 10.343 1.00 0.00 O ATOM 0 H ASP A 43 -5.993 6.469 7.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.603 7.341 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.341 6.138 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.033 6.794 9.587 1.00 0.00 H new ATOM 636 N ASP A 44 -7.080 9.324 6.489 1.00 0.00 N ATOM 637 CA ASP A 44 -6.453 10.641 6.477 1.00 0.00 C ATOM 638 C ASP A 44 -6.920 11.434 5.266 1.00 0.00 C ATOM 639 O ASP A 44 -7.755 12.331 5.383 1.00 0.00 O ATOM 640 CB ASP A 44 -4.924 10.535 6.467 1.00 0.00 C ATOM 641 CG ASP A 44 -4.263 11.896 6.572 1.00 0.00 C ATOM 642 OD1 ASP A 44 -4.303 12.499 7.669 1.00 0.00 O ATOM 643 OD2 ASP A 44 -3.710 12.377 5.561 1.00 0.00 O ATOM 0 H ASP A 44 -7.429 9.013 5.582 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.752 11.158 7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.598 9.908 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.600 10.044 5.550 1.00 0.00 H new ATOM 647 N ASP A 45 -6.380 11.096 4.105 1.00 0.00 N ATOM 648 CA ASP A 45 -6.797 11.724 2.860 1.00 0.00 C ATOM 649 C ASP A 45 -6.733 10.717 1.721 1.00 0.00 C ATOM 650 O ASP A 45 -5.656 10.260 1.352 1.00 0.00 O ATOM 651 CB ASP A 45 -5.909 12.925 2.533 1.00 0.00 C ATOM 652 CG ASP A 45 -6.530 13.843 1.502 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.582 13.472 0.312 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.966 14.950 1.882 1.00 0.00 O ATOM 0 H ASP A 45 -5.652 10.390 3.999 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.823 12.071 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.715 13.488 3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.946 12.571 2.166 1.00 0.00 H new ATOM 658 N PRO A 46 -7.884 10.348 1.156 1.00 0.00 N ATOM 659 CA PRO A 46 -7.958 9.355 0.086 1.00 0.00 C ATOM 660 C PRO A 46 -7.565 9.922 -1.273 1.00 0.00 C ATOM 661 O PRO A 46 -7.136 9.186 -2.164 1.00 0.00 O ATOM 662 CB PRO A 46 -9.435 8.934 0.074 1.00 0.00 C ATOM 663 CG PRO A 46 -10.116 9.724 1.150 1.00 0.00 C ATOM 664 CD PRO A 46 -9.206 10.861 1.510 1.00 0.00 C ATOM 0 HA PRO A 46 -7.266 8.532 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.887 9.134 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.534 7.864 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.079 10.098 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.313 9.098 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.450 11.766 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.272 11.111 2.569 1.00 0.00 H new ATOM 669 N GLN A 47 -7.703 11.232 -1.426 1.00 0.00 N ATOM 670 CA GLN A 47 -7.480 11.871 -2.713 1.00 0.00 C ATOM 671 C GLN A 47 -6.004 12.190 -2.936 1.00 0.00 C ATOM 672 O GLN A 47 -5.499 12.053 -4.052 1.00 0.00 O ATOM 673 CB GLN A 47 -8.321 13.147 -2.817 1.00 0.00 C ATOM 674 CG GLN A 47 -9.814 12.905 -2.653 1.00 0.00 C ATOM 675 CD GLN A 47 -10.368 11.949 -3.690 1.00 0.00 C ATOM 676 OE1 GLN A 47 -9.892 11.893 -4.825 1.00 0.00 O ATOM 677 NE2 GLN A 47 -11.379 11.187 -3.309 1.00 0.00 N ATOM 0 H GLN A 47 -7.968 11.871 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.787 11.172 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.990 13.854 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.141 13.613 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.006 12.506 -1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.342 13.856 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.745 11.263 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.793 10.523 -3.964 1.00 0.00 H new ATOM 684 N ALA A 48 -5.299 12.583 -1.885 1.00 0.00 N ATOM 685 CA ALA A 48 -3.885 12.895 -2.018 1.00 0.00 C ATOM 686 C ALA A 48 -3.048 11.636 -1.986 1.00 0.00 C ATOM 687 O ALA A 48 -2.583 11.207 -0.934 1.00 0.00 O ATOM 688 CB ALA A 48 -3.406 13.842 -0.939 1.00 0.00 C ATOM 0 H ALA A 48 -5.677 12.692 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.765 13.388 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.344 14.046 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.966 14.775 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.562 13.388 0.039 1.00 0.00 H new ATOM 694 N SER A 49 -2.873 11.037 -3.136 1.00 0.00 N ATOM 695 CA SER A 49 -2.005 9.895 -3.256 1.00 0.00 C ATOM 696 C SER A 49 -1.020 10.137 -4.382 1.00 0.00 C ATOM 697 O SER A 49 -1.013 9.433 -5.394 1.00 0.00 O ATOM 698 CB SER A 49 -2.831 8.635 -3.487 1.00 0.00 C ATOM 699 OG SER A 49 -3.815 8.502 -2.476 1.00 0.00 O ATOM 0 H SER A 49 -3.322 11.323 -4.006 1.00 0.00 H new ATOM 0 HA SER A 49 -1.442 9.751 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.309 8.679 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.181 7.760 -3.489 1.00 0.00 H new ATOM 0 HG SER A 49 -4.630 8.118 -2.861 1.00 0.00 H new ATOM 704 N ASN A 50 -0.227 11.191 -4.198 1.00 0.00 N ATOM 705 CA ASN A 50 0.851 11.539 -5.127 1.00 0.00 C ATOM 706 C ASN A 50 1.700 10.305 -5.453 1.00 0.00 C ATOM 707 O ASN A 50 1.945 9.477 -4.577 1.00 0.00 O ATOM 708 CB ASN A 50 1.723 12.640 -4.509 1.00 0.00 C ATOM 709 CG ASN A 50 2.777 13.182 -5.456 1.00 0.00 C ATOM 710 OD1 ASN A 50 2.607 13.181 -6.675 1.00 0.00 O ATOM 711 ND2 ASN A 50 3.876 13.659 -4.896 1.00 0.00 N ATOM 0 H ASN A 50 -0.311 11.827 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 50 0.415 11.906 -6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.082 13.460 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.214 12.247 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.620 14.044 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.980 13.642 -3.881 1.00 0.00 H new ATOM 717 N GLU A 51 2.124 10.177 -6.710 1.00 0.00 N ATOM 718 CA GLU A 51 2.797 8.963 -7.193 1.00 0.00 C ATOM 719 C GLU A 51 3.922 8.497 -6.268 1.00 0.00 C ATOM 720 O GLU A 51 3.943 7.334 -5.863 1.00 0.00 O ATOM 721 CB GLU A 51 3.335 9.160 -8.615 1.00 0.00 C ATOM 722 CG GLU A 51 2.252 9.119 -9.682 1.00 0.00 C ATOM 723 CD GLU A 51 2.808 9.208 -11.088 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.555 8.295 -11.498 1.00 0.00 O ATOM 725 OE2 GLU A 51 2.498 10.188 -11.798 1.00 0.00 O ATOM 0 H GLU A 51 2.014 10.902 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 51 2.039 8.180 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.853 10.118 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.073 8.386 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.682 8.195 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.556 9.942 -9.519 1.00 0.00 H new ATOM 730 N LYS A 52 4.835 9.400 -5.917 1.00 0.00 N ATOM 731 CA LYS A 52 5.977 9.048 -5.068 1.00 0.00 C ATOM 732 C LYS A 52 5.534 8.545 -3.689 1.00 0.00 C ATOM 733 O LYS A 52 6.283 7.846 -3.006 1.00 0.00 O ATOM 734 CB LYS A 52 6.929 10.232 -4.927 1.00 0.00 C ATOM 735 CG LYS A 52 6.315 11.457 -4.284 1.00 0.00 C ATOM 736 CD LYS A 52 7.320 12.589 -4.232 1.00 0.00 C ATOM 737 CE LYS A 52 7.712 13.049 -5.629 1.00 0.00 C ATOM 738 NZ LYS A 52 8.794 14.066 -5.603 1.00 0.00 N ATOM 0 H LYS A 52 4.809 10.378 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 52 6.505 8.230 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.791 9.921 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.300 10.503 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.436 11.769 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.978 11.216 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.898 13.427 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.209 12.264 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.038 12.189 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.838 13.464 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.028 14.349 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.475 14.898 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.638 13.663 -5.148 1.00 0.00 H new ATOM 748 N ILE A 53 4.317 8.896 -3.289 1.00 0.00 N ATOM 749 CA ILE A 53 3.732 8.372 -2.060 1.00 0.00 C ATOM 750 C ILE A 53 3.479 6.878 -2.212 1.00 0.00 C ATOM 751 O ILE A 53 3.980 6.059 -1.440 1.00 0.00 O ATOM 752 CB ILE A 53 2.390 9.072 -1.732 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.602 10.555 -1.431 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.695 8.388 -0.565 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.244 10.823 -0.090 1.00 0.00 C ATOM 0 H ILE A 53 3.715 9.543 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 53 4.434 8.561 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 53 1.750 8.992 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.224 10.989 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.639 11.065 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.755 8.897 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.495 7.347 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.337 8.429 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.361 11.898 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.613 10.421 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.222 10.344 -0.053 1.00 0.00 H new ATOM 766 N LEU A 54 2.717 6.538 -3.243 1.00 0.00 N ATOM 767 CA LEU A 54 2.350 5.156 -3.519 1.00 0.00 C ATOM 768 C LEU A 54 3.574 4.343 -3.924 1.00 0.00 C ATOM 769 O LEU A 54 3.652 3.145 -3.660 1.00 0.00 O ATOM 770 CB LEU A 54 1.297 5.114 -4.628 1.00 0.00 C ATOM 771 CG LEU A 54 0.023 5.910 -4.340 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.862 5.969 -5.576 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.735 5.298 -3.172 1.00 0.00 C ATOM 0 H LEU A 54 2.337 7.210 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 54 1.935 4.717 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.744 5.493 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.025 4.075 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 54 0.308 6.928 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.763 6.539 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.320 6.452 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.138 4.958 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.638 5.877 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.007 4.270 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.104 5.307 -2.284 1.00 0.00 H new ATOM 784 N GLU A 55 4.526 5.014 -4.559 1.00 0.00 N ATOM 785 CA GLU A 55 5.768 4.389 -4.989 1.00 0.00 C ATOM 786 C GLU A 55 6.512 3.789 -3.800 1.00 0.00 C ATOM 787 O GLU A 55 6.941 2.635 -3.844 1.00 0.00 O ATOM 788 CB GLU A 55 6.646 5.422 -5.697 1.00 0.00 C ATOM 789 CG GLU A 55 7.947 4.856 -6.238 1.00 0.00 C ATOM 790 CD GLU A 55 8.809 5.909 -6.897 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.519 6.282 -8.055 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.783 6.367 -6.267 1.00 0.00 O ATOM 0 H GLU A 55 4.458 6.005 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 55 5.532 3.582 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.082 5.861 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.874 6.229 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.504 4.393 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.725 4.070 -6.959 1.00 0.00 H new ATOM 797 N ALA A 56 6.643 4.570 -2.733 1.00 0.00 N ATOM 798 CA ALA A 56 7.334 4.120 -1.530 1.00 0.00 C ATOM 799 C ALA A 56 6.602 2.944 -0.893 1.00 0.00 C ATOM 800 O ALA A 56 7.220 2.040 -0.333 1.00 0.00 O ATOM 801 CB ALA A 56 7.464 5.266 -0.540 1.00 0.00 C ATOM 0 H ALA A 56 6.278 5.521 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 56 8.333 3.785 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.981 4.918 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.032 6.077 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.472 5.626 -0.268 1.00 0.00 H new ATOM 807 N ILE A 57 5.280 2.964 -0.994 1.00 0.00 N ATOM 808 CA ILE A 57 4.448 1.899 -0.452 1.00 0.00 C ATOM 809 C ILE A 57 4.622 0.614 -1.262 1.00 0.00 C ATOM 810 O ILE A 57 4.638 -0.486 -0.715 1.00 0.00 O ATOM 811 CB ILE A 57 2.965 2.317 -0.441 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.805 3.623 0.339 1.00 0.00 C ATOM 813 CG2 ILE A 57 2.097 1.220 0.165 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.398 4.175 0.319 1.00 0.00 C ATOM 0 H ILE A 57 4.758 3.712 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 57 4.766 1.713 0.574 1.00 0.00 H new ATOM 0 HB ILE A 57 2.636 2.473 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.106 3.457 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.484 4.368 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.054 1.538 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.200 0.308 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.415 1.029 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.362 5.101 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.100 4.374 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.716 3.448 0.760 1.00 0.00 H new ATOM 825 N LEU A 58 4.768 0.765 -2.568 1.00 0.00 N ATOM 826 CA LEU A 58 5.012 -0.369 -3.444 1.00 0.00 C ATOM 827 C LEU A 58 6.406 -0.936 -3.163 1.00 0.00 C ATOM 828 O LEU A 58 6.609 -2.152 -3.145 1.00 0.00 O ATOM 829 CB LEU A 58 4.872 0.076 -4.911 1.00 0.00 C ATOM 830 CG LEU A 58 4.632 -1.034 -5.950 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.898 -1.832 -6.216 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.512 -1.958 -5.492 1.00 0.00 C ATOM 0 H LEU A 58 4.722 1.665 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 58 4.280 -1.154 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.047 0.785 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.777 0.614 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 58 4.337 -0.555 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.691 -2.607 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.674 -1.167 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.238 -2.295 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.355 -2.737 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.784 -2.416 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.594 -1.384 -5.369 1.00 0.00 H new ATOM 843 N LEU A 59 7.356 -0.039 -2.909 1.00 0.00 N ATOM 844 CA LEU A 59 8.734 -0.429 -2.623 1.00 0.00 C ATOM 845 C LEU A 59 8.827 -1.270 -1.353 1.00 0.00 C ATOM 846 O LEU A 59 9.483 -2.312 -1.347 1.00 0.00 O ATOM 847 CB LEU A 59 9.633 0.807 -2.494 1.00 0.00 C ATOM 848 CG LEU A 59 9.803 1.627 -3.775 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.683 2.840 -3.520 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.390 0.770 -4.884 1.00 0.00 C ATOM 0 H LEU A 59 7.195 0.968 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 59 9.079 -1.036 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.223 1.455 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.618 0.486 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 59 8.820 1.975 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.792 3.411 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.224 3.468 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.665 2.512 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.503 1.371 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.365 0.392 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.724 -0.068 -5.087 1.00 0.00 H new ATOM 861 N VAL A 60 8.165 -0.828 -0.283 1.00 0.00 N ATOM 862 CA VAL A 60 8.212 -1.553 0.985 1.00 0.00 C ATOM 863 C VAL A 60 7.569 -2.935 0.839 1.00 0.00 C ATOM 864 O VAL A 60 8.050 -3.914 1.408 1.00 0.00 O ATOM 865 CB VAL A 60 7.542 -0.764 2.144 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.053 -0.580 1.918 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.801 -1.444 3.481 1.00 0.00 C ATOM 0 H VAL A 60 7.596 0.019 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 60 9.264 -1.674 1.244 1.00 0.00 H new ATOM 0 HB VAL A 60 7.994 0.228 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.624 -0.024 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.891 -0.028 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.572 -1.556 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.323 -0.874 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.391 -2.454 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.875 -1.491 3.663 1.00 0.00 H new ATOM 877 N TRP A 61 6.511 -3.015 0.036 1.00 0.00 N ATOM 878 CA TRP A 61 5.837 -4.281 -0.220 1.00 0.00 C ATOM 879 C TRP A 61 6.805 -5.248 -0.902 1.00 0.00 C ATOM 880 O TRP A 61 6.873 -6.426 -0.552 1.00 0.00 O ATOM 881 CB TRP A 61 4.598 -4.049 -1.096 1.00 0.00 C ATOM 882 CG TRP A 61 3.601 -5.176 -1.072 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.799 -6.455 -0.628 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.241 -5.118 -1.522 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.649 -7.191 -0.776 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.679 -6.392 -1.319 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.443 -4.112 -2.072 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.360 -6.685 -1.649 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.133 -4.406 -2.399 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.397 -5.683 -2.184 1.00 0.00 C ATOM 0 H TRP A 61 6.103 -2.216 -0.448 1.00 0.00 H new ATOM 0 HA TRP A 61 5.513 -4.717 0.725 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.103 -3.135 -0.769 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.920 -3.887 -2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.726 -6.831 -0.220 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.536 -8.173 -0.523 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.843 -3.123 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.051 -7.671 -1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.492 -3.637 -2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.426 -5.880 -2.447 1.00 0.00 H new ATOM 900 N LEU A 62 7.568 -4.734 -1.862 1.00 0.00 N ATOM 901 CA LEU A 62 8.583 -5.531 -2.549 1.00 0.00 C ATOM 902 C LEU A 62 9.635 -6.038 -1.566 1.00 0.00 C ATOM 903 O LEU A 62 10.095 -7.176 -1.664 1.00 0.00 O ATOM 904 CB LEU A 62 9.274 -4.706 -3.638 1.00 0.00 C ATOM 905 CG LEU A 62 8.397 -4.300 -4.823 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.154 -3.346 -5.737 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.948 -5.528 -5.599 1.00 0.00 C ATOM 0 H LEU A 62 7.504 -3.768 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 62 8.078 -6.382 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.677 -3.802 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.122 -5.277 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 62 7.513 -3.791 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.518 -3.065 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.434 -2.453 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.053 -3.837 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.325 -5.220 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.822 -6.062 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.375 -6.183 -4.943 1.00 0.00 H new ATOM 918 N ASP A 63 10.006 -5.188 -0.618 1.00 0.00 N ATOM 919 CA ASP A 63 11.054 -5.513 0.344 1.00 0.00 C ATOM 920 C ASP A 63 10.592 -6.581 1.333 1.00 0.00 C ATOM 921 O ASP A 63 11.364 -7.459 1.716 1.00 0.00 O ATOM 922 CB ASP A 63 11.487 -4.253 1.097 1.00 0.00 C ATOM 923 CG ASP A 63 12.631 -4.507 2.054 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.798 -4.525 1.606 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.374 -4.673 3.261 1.00 0.00 O ATOM 0 H ASP A 63 9.595 -4.263 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 63 11.904 -5.912 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.783 -3.489 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.637 -3.856 1.651 1.00 0.00 H new ATOM 929 N GLU A 64 9.330 -6.508 1.737 1.00 0.00 N ATOM 930 CA GLU A 64 8.779 -7.466 2.687 1.00 0.00 C ATOM 931 C GLU A 64 8.449 -8.794 2.005 1.00 0.00 C ATOM 932 O GLU A 64 8.728 -9.866 2.547 1.00 0.00 O ATOM 933 CB GLU A 64 7.529 -6.896 3.357 1.00 0.00 C ATOM 934 CG GLU A 64 7.789 -5.615 4.134 1.00 0.00 C ATOM 935 CD GLU A 64 6.585 -5.176 4.940 1.00 0.00 C ATOM 936 OE1 GLU A 64 6.340 -5.770 6.013 1.00 0.00 O ATOM 937 OE2 GLU A 64 5.889 -4.240 4.509 1.00 0.00 O ATOM 0 H GLU A 64 8.670 -5.797 1.422 1.00 0.00 H new ATOM 0 HA GLU A 64 9.536 -7.653 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.774 -6.703 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.115 -7.644 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.636 -5.765 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.067 -4.822 3.440 1.00 0.00 H new ATOM 942 N ALA A 65 7.865 -8.715 0.811 1.00 0.00 N ATOM 943 CA ALA A 65 7.457 -9.909 0.072 1.00 0.00 C ATOM 944 C ALA A 65 8.663 -10.731 -0.370 1.00 0.00 C ATOM 945 O ALA A 65 8.574 -11.950 -0.522 1.00 0.00 O ATOM 946 CB ALA A 65 6.607 -9.529 -1.130 1.00 0.00 C ATOM 0 H ALA A 65 7.663 -7.836 0.334 1.00 0.00 H new ATOM 0 HA ALA A 65 6.860 -10.525 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.313 -10.431 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.715 -9.001 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.182 -8.883 -1.793 1.00 0.00 H new ATOM 952 N GLU A 66 9.784 -10.062 -0.590 1.00 0.00 N ATOM 953 CA GLU A 66 11.011 -10.745 -0.960 1.00 0.00 C ATOM 954 C GLU A 66 11.807 -11.097 0.294 1.00 0.00 C ATOM 955 O GLU A 66 12.508 -10.212 0.827 1.00 0.00 O ATOM 956 CB GLU A 66 11.844 -9.874 -1.902 1.00 0.00 C ATOM 957 CG GLU A 66 12.963 -10.628 -2.600 1.00 0.00 C ATOM 958 CD GLU A 66 12.442 -11.763 -3.459 1.00 0.00 C ATOM 959 OE1 GLU A 66 11.996 -11.499 -4.594 1.00 0.00 O ATOM 960 OE2 GLU A 66 12.465 -12.923 -2.998 1.00 0.00 O ATOM 961 OXT GLU A 66 11.715 -12.253 0.753 1.00 0.00 O ATOM 0 H GLU A 66 9.868 -9.048 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 66 10.759 -11.667 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.188 -9.437 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.273 -9.048 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.532 -9.936 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.651 -11.026 -1.854 1.00 0.00 H new TER 966 GLU A 66