USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 142:sc= 0.485 USER MOD Set 1.2: A 51 TYR OH : rot 150:sc= -2.32! USER MOD Set 2.1: A 31 ASN :FLIP amide:sc= -0.0366 F(o=-1.8,f=-0.5) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 35 HIS :FLIP no HD1:sc= -0.468 X(o=-0.76,f=-0.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.107 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00903 X(o=-0.009,f=-0.19) USER MOD Single : A 6 THR OG1 : rot -111:sc= -0.792 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 12 MET CE :methyl -169:sc=-0.00875 (180deg=-0.0957) USER MOD Single : A 16 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.33) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 62:sc= 0.183 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.41) USER MOD Single : A 27 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.062) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0947 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.105 (180deg=-0.315) USER MOD Single : A 45 ASN : amide:sc= -0.903 K(o=-0.9,f=-1.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 66:sc= 0.642 USER MOD Single : A 61 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.45) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.18 (180deg=-0.887) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 29:sc= 0.0182 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.425 12.188 4.147 1.00 0.00 N ATOM 2 CA MET A 1 5.300 12.870 3.456 1.00 0.00 C ATOM 3 C MET A 1 4.450 11.878 2.670 1.00 0.00 C ATOM 4 O MET A 1 4.690 10.671 2.710 1.00 0.00 O ATOM 5 CB MET A 1 5.877 13.931 2.516 1.00 0.00 C ATOM 6 CG MET A 1 6.282 15.214 3.223 1.00 0.00 C ATOM 7 SD MET A 1 5.956 16.685 2.232 1.00 0.00 S ATOM 8 CE MET A 1 5.671 17.902 3.513 1.00 0.00 C ATOM 0 H1 MET A 1 6.364 12.367 5.170 1.00 0.00 H new ATOM 0 H2 MET A 1 6.371 11.164 3.971 1.00 0.00 H new ATOM 0 H3 MET A 1 7.328 12.554 3.784 1.00 0.00 H new ATOM 0 HA MET A 1 4.654 13.336 4.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.746 13.518 2.005 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.138 14.166 1.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.743 15.290 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.344 15.171 3.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.456 18.868 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.824 17.594 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.560 17.987 4.138 1.00 0.00 H new ATOM 20 N GLU A 2 3.456 12.395 1.955 1.00 0.00 N ATOM 21 CA GLU A 2 2.569 11.553 1.159 1.00 0.00 C ATOM 22 C GLU A 2 1.828 10.554 2.039 1.00 0.00 C ATOM 23 O GLU A 2 2.136 10.403 3.221 1.00 0.00 O ATOM 24 CB GLU A 2 3.366 10.807 0.087 1.00 0.00 C ATOM 25 CG GLU A 2 3.595 11.615 -1.179 1.00 0.00 C ATOM 26 CD GLU A 2 2.307 12.155 -1.768 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.852 13.228 -1.317 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.752 11.507 -2.679 1.00 0.00 O ATOM 0 H GLU A 2 3.244 13.392 1.910 1.00 0.00 H new ATOM 0 HA GLU A 2 1.836 12.199 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.331 10.517 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.840 9.888 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.266 12.446 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.094 10.990 -1.919 1.00 0.00 H new ATOM 35 N GLN A 3 0.849 9.872 1.453 1.00 0.00 N ATOM 36 CA GLN A 3 0.063 8.883 2.183 1.00 0.00 C ATOM 37 C GLN A 3 0.310 7.484 1.633 1.00 0.00 C ATOM 38 O GLN A 3 -0.601 6.660 1.565 1.00 0.00 O ATOM 39 CB GLN A 3 -1.426 9.222 2.104 1.00 0.00 C ATOM 40 CG GLN A 3 -2.221 8.749 3.311 1.00 0.00 C ATOM 41 CD GLN A 3 -3.131 9.826 3.871 1.00 0.00 C ATOM 42 OE1 GLN A 3 -4.355 9.707 3.822 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.534 10.884 4.404 1.00 0.00 N ATOM 0 H GLN A 3 0.581 9.986 0.475 1.00 0.00 H new ATOM 0 HA GLN A 3 0.375 8.905 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.540 10.301 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.846 8.773 1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.820 7.883 3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.532 8.421 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.516 10.939 4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.093 11.642 4.795 1.00 0.00 H new ATOM 52 N ARG A 4 1.553 7.226 1.242 1.00 0.00 N ATOM 53 CA ARG A 4 1.931 5.928 0.696 1.00 0.00 C ATOM 54 C ARG A 4 2.604 5.067 1.753 1.00 0.00 C ATOM 55 O ARG A 4 3.740 5.322 2.152 1.00 0.00 O ATOM 56 CB ARG A 4 2.861 6.105 -0.506 1.00 0.00 C ATOM 57 CG ARG A 4 4.002 7.077 -0.257 1.00 0.00 C ATOM 58 CD ARG A 4 4.976 7.105 -1.425 1.00 0.00 C ATOM 59 NE ARG A 4 6.364 7.203 -0.980 1.00 0.00 N ATOM 60 CZ ARG A 4 6.941 8.340 -0.598 1.00 0.00 C ATOM 61 NH1 ARG A 4 6.256 9.476 -0.603 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.210 8.341 -0.210 1.00 0.00 N ATOM 0 H ARG A 4 2.317 7.900 1.293 1.00 0.00 H new ATOM 0 HA ARG A 4 1.022 5.423 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.275 5.135 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.277 6.454 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.600 8.077 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.531 6.793 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.850 6.203 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.742 7.951 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 4 6.924 6.350 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.280 9.482 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.705 10.343 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.742 7.471 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.653 9.212 0.083 1.00 0.00 H new ATOM 76 N ILE A 5 1.891 4.041 2.196 1.00 0.00 N ATOM 77 CA ILE A 5 2.404 3.125 3.201 1.00 0.00 C ATOM 78 C ILE A 5 2.777 1.798 2.555 1.00 0.00 C ATOM 79 O ILE A 5 2.756 1.667 1.333 1.00 0.00 O ATOM 80 CB ILE A 5 1.374 2.864 4.320 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.390 4.024 4.425 1.00 0.00 C ATOM 82 CG2 ILE A 5 2.072 2.636 5.654 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.675 3.824 5.480 1.00 0.00 C ATOM 0 H ILE A 5 0.949 3.822 1.871 1.00 0.00 H new ATOM 0 HA ILE A 5 3.284 3.591 3.644 1.00 0.00 H new ATOM 0 HB ILE A 5 0.818 1.961 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.941 4.938 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.092 4.169 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.327 2.454 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.733 1.772 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.657 3.518 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.338 4.689 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.252 2.929 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.203 3.710 6.456 1.00 0.00 H new ATOM 95 N THR A 6 3.109 0.816 3.378 1.00 0.00 N ATOM 96 CA THR A 6 3.477 -0.503 2.880 1.00 0.00 C ATOM 97 C THR A 6 2.251 -1.407 2.780 1.00 0.00 C ATOM 98 O THR A 6 1.270 -1.216 3.499 1.00 0.00 O ATOM 99 CB THR A 6 4.529 -1.144 3.785 1.00 0.00 C ATOM 100 OG1 THR A 6 4.110 -1.117 5.137 1.00 0.00 O ATOM 101 CG2 THR A 6 5.879 -0.462 3.710 1.00 0.00 C ATOM 0 H THR A 6 3.132 0.906 4.394 1.00 0.00 H new ATOM 0 HA THR A 6 3.899 -0.381 1.883 1.00 0.00 H new ATOM 0 HB THR A 6 4.636 -2.167 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.678 -0.499 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.579 -0.966 4.376 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.254 -0.508 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.777 0.580 4.012 1.00 0.00 H new ATOM 109 N LEU A 7 2.315 -2.391 1.890 1.00 0.00 N ATOM 110 CA LEU A 7 1.208 -3.322 1.706 1.00 0.00 C ATOM 111 C LEU A 7 1.000 -4.171 2.957 1.00 0.00 C ATOM 112 O LEU A 7 -0.132 -4.481 3.328 1.00 0.00 O ATOM 113 CB LEU A 7 1.471 -4.226 0.499 1.00 0.00 C ATOM 114 CG LEU A 7 0.400 -5.286 0.238 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.956 -4.632 0.019 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.780 -6.143 -0.959 1.00 0.00 C ATOM 0 H LEU A 7 3.119 -2.564 1.287 1.00 0.00 H new ATOM 0 HA LEU A 7 0.302 -2.743 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.566 -3.602 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.429 -4.727 0.641 1.00 0.00 H new ATOM 0 HG LEU A 7 0.332 -5.931 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.706 -5.402 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.232 -4.061 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.903 -3.964 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.007 -6.892 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.876 -5.512 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.730 -6.640 -0.763 1.00 0.00 H new ATOM 128 N LYS A 8 2.100 -4.543 3.603 1.00 0.00 N ATOM 129 CA LYS A 8 2.041 -5.354 4.814 1.00 0.00 C ATOM 130 C LYS A 8 1.315 -4.613 5.932 1.00 0.00 C ATOM 131 O LYS A 8 0.284 -5.068 6.426 1.00 0.00 O ATOM 132 CB LYS A 8 3.450 -5.732 5.270 1.00 0.00 C ATOM 133 CG LYS A 8 3.481 -6.882 6.265 1.00 0.00 C ATOM 134 CD LYS A 8 4.867 -7.498 6.363 1.00 0.00 C ATOM 135 CE LYS A 8 4.993 -8.728 5.478 1.00 0.00 C ATOM 136 NZ LYS A 8 6.399 -9.214 5.402 1.00 0.00 N ATOM 0 H LYS A 8 3.044 -4.295 3.308 1.00 0.00 H new ATOM 0 HA LYS A 8 1.485 -6.263 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.045 -6.002 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.923 -4.860 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.171 -6.523 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.763 -7.645 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.615 -6.761 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.073 -7.770 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.355 -9.522 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.635 -8.493 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.444 -10.053 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.004 -8.466 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.732 -9.463 6.355 1.00 0.00 H new ATOM 150 N ASP A 9 1.860 -3.464 6.323 1.00 0.00 N ATOM 151 CA ASP A 9 1.267 -2.651 7.383 1.00 0.00 C ATOM 152 C ASP A 9 -0.223 -2.438 7.139 1.00 0.00 C ATOM 153 O ASP A 9 -1.013 -2.361 8.079 1.00 0.00 O ATOM 154 CB ASP A 9 1.978 -1.298 7.469 1.00 0.00 C ATOM 155 CG ASP A 9 3.445 -1.438 7.820 1.00 0.00 C ATOM 156 OD1 ASP A 9 3.826 -2.490 8.377 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.216 -0.494 7.541 1.00 0.00 O ATOM 0 H ASP A 9 2.713 -3.074 5.921 1.00 0.00 H new ATOM 0 HA ASP A 9 1.389 -3.183 8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.883 -0.780 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.485 -0.679 8.219 1.00 0.00 H new ATOM 162 N TYR A 10 -0.596 -2.345 5.869 1.00 0.00 N ATOM 163 CA TYR A 10 -1.988 -2.141 5.491 1.00 0.00 C ATOM 164 C TYR A 10 -2.851 -3.317 5.934 1.00 0.00 C ATOM 165 O TYR A 10 -3.923 -3.133 6.510 1.00 0.00 O ATOM 166 CB TYR A 10 -2.096 -1.959 3.976 1.00 0.00 C ATOM 167 CG TYR A 10 -3.321 -1.188 3.540 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.597 -1.621 3.875 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.198 -0.029 2.787 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.716 -0.919 3.471 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.311 0.680 2.381 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.569 0.231 2.725 1.00 0.00 C ATOM 173 OH TYR A 10 -6.680 0.933 2.320 1.00 0.00 O ATOM 0 H TYR A 10 0.049 -2.408 5.081 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.350 -1.242 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.206 -1.442 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.108 -2.940 3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.716 -2.521 4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.215 0.325 2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.702 -1.270 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.197 1.581 1.797 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.411 1.826 2.018 1.00 0.00 H new ATOM 183 N ALA A 11 -2.376 -4.526 5.659 1.00 0.00 N ATOM 184 CA ALA A 11 -3.104 -5.737 6.025 1.00 0.00 C ATOM 185 C ALA A 11 -3.136 -5.928 7.537 1.00 0.00 C ATOM 186 O ALA A 11 -4.077 -6.509 8.079 1.00 0.00 O ATOM 187 CB ALA A 11 -2.477 -6.949 5.354 1.00 0.00 C ATOM 0 H ALA A 11 -1.490 -4.695 5.184 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.132 -5.630 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.029 -7.846 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.513 -6.825 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.440 -7.046 5.674 1.00 0.00 H new ATOM 193 N MET A 12 -2.100 -5.444 8.215 1.00 0.00 N ATOM 194 CA MET A 12 -2.011 -5.570 9.661 1.00 0.00 C ATOM 195 C MET A 12 -2.744 -4.432 10.365 1.00 0.00 C ATOM 196 O MET A 12 -3.214 -4.585 11.492 1.00 0.00 O ATOM 197 CB MET A 12 -0.546 -5.603 10.102 1.00 0.00 C ATOM 198 CG MET A 12 -0.063 -6.989 10.499 1.00 0.00 C ATOM 199 SD MET A 12 1.516 -6.950 11.370 1.00 0.00 S ATOM 200 CE MET A 12 2.661 -7.010 9.994 1.00 0.00 C ATOM 0 H MET A 12 -1.312 -4.961 7.784 1.00 0.00 H new ATOM 0 HA MET A 12 -2.491 -6.507 9.944 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.078 -5.228 9.291 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.413 -4.925 10.945 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.812 -7.463 11.133 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.034 -7.606 9.605 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.669 -7.189 10.367 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.375 -7.816 9.318 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.636 -6.061 9.458 1.00 0.00 H new ATOM 210 N ARG A 13 -2.828 -3.290 9.697 1.00 0.00 N ATOM 211 CA ARG A 13 -3.496 -2.121 10.259 1.00 0.00 C ATOM 212 C ARG A 13 -4.979 -2.101 9.899 1.00 0.00 C ATOM 213 O ARG A 13 -5.840 -2.287 10.761 1.00 0.00 O ATOM 214 CB ARG A 13 -2.821 -0.837 9.776 1.00 0.00 C ATOM 215 CG ARG A 13 -3.050 0.352 10.695 1.00 0.00 C ATOM 216 CD ARG A 13 -3.245 1.636 9.905 1.00 0.00 C ATOM 217 NE ARG A 13 -2.034 2.028 9.188 1.00 0.00 N ATOM 218 CZ ARG A 13 -0.993 2.628 9.762 1.00 0.00 C ATOM 219 NH1 ARG A 13 -1.012 2.908 11.058 1.00 0.00 N ATOM 220 NH2 ARG A 13 0.069 2.948 9.036 1.00 0.00 N ATOM 0 H ARG A 13 -2.442 -3.146 8.764 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.412 -2.181 11.344 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.749 -1.013 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.192 -0.593 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.926 0.169 11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.199 0.463 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.060 1.504 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.540 2.437 10.583 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.983 1.830 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.827 2.664 11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.212 3.368 11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.088 2.735 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.867 3.408 9.475 1.00 0.00 H new ATOM 234 N PHE A 14 -5.271 -1.858 8.626 1.00 0.00 N ATOM 235 CA PHE A 14 -6.636 -1.794 8.148 1.00 0.00 C ATOM 236 C PHE A 14 -7.218 -3.187 7.923 1.00 0.00 C ATOM 237 O PHE A 14 -8.371 -3.450 8.265 1.00 0.00 O ATOM 238 CB PHE A 14 -6.661 -0.997 6.851 1.00 0.00 C ATOM 239 CG PHE A 14 -6.001 0.345 6.974 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.695 1.429 7.477 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.682 0.523 6.591 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.093 2.657 7.594 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.078 1.749 6.707 1.00 0.00 C ATOM 244 CZ PHE A 14 -4.785 2.812 7.209 1.00 0.00 C ATOM 0 H PHE A 14 -4.568 -1.701 7.904 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.251 -1.305 8.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.163 -1.570 6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.695 -0.859 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.724 1.308 7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.123 -0.313 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.646 3.497 7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.049 1.877 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.309 3.777 7.302 1.00 0.00 H new ATOM 254 N GLY A 15 -6.417 -4.075 7.346 1.00 0.00 N ATOM 255 CA GLY A 15 -6.875 -5.427 7.084 1.00 0.00 C ATOM 256 C GLY A 15 -6.973 -5.727 5.601 1.00 0.00 C ATOM 257 O GLY A 15 -7.379 -4.871 4.814 1.00 0.00 O ATOM 0 H GLY A 15 -5.458 -3.883 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.191 -6.136 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.851 -5.573 7.547 1.00 0.00 H new ATOM 261 N GLN A 16 -6.600 -6.945 5.218 1.00 0.00 N ATOM 262 CA GLN A 16 -6.644 -7.358 3.819 1.00 0.00 C ATOM 263 C GLN A 16 -8.027 -7.128 3.217 1.00 0.00 C ATOM 264 O GLN A 16 -8.160 -6.877 2.019 1.00 0.00 O ATOM 265 CB GLN A 16 -6.262 -8.834 3.691 1.00 0.00 C ATOM 266 CG GLN A 16 -4.769 -9.088 3.806 1.00 0.00 C ATOM 267 CD GLN A 16 -4.451 -10.453 4.384 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.215 -11.404 4.213 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.321 -10.557 5.073 1.00 0.00 N ATOM 0 H GLN A 16 -6.263 -7.664 5.858 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.926 -6.750 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.779 -9.403 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.613 -9.209 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.313 -9.000 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.321 -8.318 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.718 -9.743 5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.056 -11.451 5.486 1.00 0.00 H new ATOM 278 N THR A 17 -9.055 -7.214 4.053 1.00 0.00 N ATOM 279 CA THR A 17 -10.420 -7.014 3.602 1.00 0.00 C ATOM 280 C THR A 17 -10.630 -5.592 3.091 1.00 0.00 C ATOM 281 O THR A 17 -11.180 -5.384 2.011 1.00 0.00 O ATOM 282 CB THR A 17 -11.400 -7.308 4.739 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.220 -8.625 5.228 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.850 -7.162 4.332 1.00 0.00 C ATOM 0 H THR A 17 -8.965 -7.421 5.048 1.00 0.00 H new ATOM 0 HA THR A 17 -10.606 -7.704 2.778 1.00 0.00 H new ATOM 0 HB THR A 17 -11.180 -6.568 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.855 -8.793 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.491 -7.385 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.033 -6.141 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.072 -7.855 3.521 1.00 0.00 H new ATOM 292 N LYS A 18 -10.190 -4.616 3.876 1.00 0.00 N ATOM 293 CA LYS A 18 -10.330 -3.212 3.506 1.00 0.00 C ATOM 294 C LYS A 18 -9.307 -2.808 2.443 1.00 0.00 C ATOM 295 O LYS A 18 -9.385 -1.713 1.887 1.00 0.00 O ATOM 296 CB LYS A 18 -10.170 -2.322 4.741 1.00 0.00 C ATOM 297 CG LYS A 18 -11.100 -1.122 4.748 1.00 0.00 C ATOM 298 CD LYS A 18 -10.330 0.187 4.665 1.00 0.00 C ATOM 299 CE LYS A 18 -10.970 1.260 5.535 1.00 0.00 C ATOM 300 NZ LYS A 18 -12.340 1.615 5.073 1.00 0.00 N ATOM 0 H LYS A 18 -9.732 -4.771 4.774 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.327 -3.078 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.353 -2.918 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.139 -1.973 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.791 -1.192 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.702 -1.133 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.299 0.026 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.296 0.527 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.015 0.910 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.344 2.152 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.737 2.349 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.295 1.974 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.946 0.771 5.104 1.00 0.00 H new ATOM 314 N THR A 19 -8.351 -3.691 2.166 1.00 0.00 N ATOM 315 CA THR A 19 -7.321 -3.408 1.170 1.00 0.00 C ATOM 316 C THR A 19 -7.779 -3.820 -0.225 1.00 0.00 C ATOM 317 O THR A 19 -7.448 -3.166 -1.215 1.00 0.00 O ATOM 318 CB THR A 19 -6.024 -4.136 1.525 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.904 -4.294 2.929 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.783 -3.419 1.040 1.00 0.00 C ATOM 0 H THR A 19 -8.268 -4.603 2.614 1.00 0.00 H new ATOM 0 HA THR A 19 -7.141 -2.333 1.171 1.00 0.00 H new ATOM 0 HB THR A 19 -6.089 -5.101 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.645 -4.843 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.899 -3.989 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.819 -3.323 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.736 -2.427 1.490 1.00 0.00 H new ATOM 328 N ALA A 20 -8.540 -4.908 -0.299 1.00 0.00 N ATOM 329 CA ALA A 20 -9.036 -5.405 -1.577 1.00 0.00 C ATOM 330 C ALA A 20 -10.360 -4.745 -1.953 1.00 0.00 C ATOM 331 O ALA A 20 -10.640 -4.526 -3.130 1.00 0.00 O ATOM 332 CB ALA A 20 -9.196 -6.918 -1.525 1.00 0.00 C ATOM 0 H ALA A 20 -8.826 -5.461 0.509 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.305 -5.150 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.567 -7.278 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.231 -7.379 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.905 -7.182 -0.740 1.00 0.00 H new ATOM 338 N LYS A 21 -11.170 -4.433 -0.945 1.00 0.00 N ATOM 339 CA LYS A 21 -12.460 -3.800 -1.175 1.00 0.00 C ATOM 340 C LYS A 21 -12.290 -2.335 -1.565 1.00 0.00 C ATOM 341 O LYS A 21 -13.110 -1.780 -2.297 1.00 0.00 O ATOM 342 CB LYS A 21 -13.340 -3.913 0.076 1.00 0.00 C ATOM 343 CG LYS A 21 -14.420 -4.978 -0.034 1.00 0.00 C ATOM 344 CD LYS A 21 -15.730 -4.503 0.559 1.00 0.00 C ATOM 345 CE LYS A 21 -16.920 -5.198 -0.094 1.00 0.00 C ATOM 346 NZ LYS A 21 -18.220 -4.707 0.447 1.00 0.00 N ATOM 0 H LYS A 21 -10.954 -4.609 0.036 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.947 -4.319 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.708 -4.136 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.810 -2.949 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.568 -5.241 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.094 -5.883 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.737 -4.697 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.820 -3.425 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.890 -5.033 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.844 -6.274 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.002 -5.205 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.261 -4.888 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.305 -3.685 0.272 1.00 0.00 H new ATOM 360 N ASP A 22 -11.230 -1.711 -1.073 1.00 0.00 N ATOM 361 CA ASP A 22 -10.950 -0.312 -1.371 1.00 0.00 C ATOM 362 C ASP A 22 -10.550 -0.131 -2.831 1.00 0.00 C ATOM 363 O ASP A 22 -10.800 0.914 -3.431 1.00 0.00 O ATOM 364 CB ASP A 22 -9.856 0.219 -0.453 1.00 0.00 C ATOM 365 CG ASP A 22 -10.400 1.020 0.710 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.130 0.435 1.543 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.110 2.232 0.787 1.00 0.00 O ATOM 0 H ASP A 22 -10.545 -2.154 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.862 0.258 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.272 -0.618 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.175 0.844 -1.031 1.00 0.00 H new ATOM 372 N LEU A 23 -9.923 -1.154 -3.397 1.00 0.00 N ATOM 373 CA LEU A 23 -9.484 -1.106 -4.787 1.00 0.00 C ATOM 374 C LEU A 23 -10.440 -1.875 -5.690 1.00 0.00 C ATOM 375 O LEU A 23 -10.670 -1.493 -6.837 1.00 0.00 O ATOM 376 CB LEU A 23 -8.073 -1.682 -4.917 1.00 0.00 C ATOM 377 CG LEU A 23 -6.941 -0.682 -4.667 1.00 0.00 C ATOM 378 CD1 LEU A 23 -6.405 -0.822 -3.251 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.826 -0.876 -5.683 1.00 0.00 C ATOM 0 H LEU A 23 -9.707 -2.027 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.477 -0.062 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.968 -2.509 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.957 -2.097 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.341 0.325 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.601 -0.103 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.207 -0.632 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.022 -1.832 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.030 -0.157 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.430 -1.888 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.219 -0.722 -6.688 1.00 0.00 H new ATOM 391 N GLY A 24 -11.000 -2.960 -5.164 1.00 0.00 N ATOM 392 CA GLY A 24 -11.930 -3.764 -5.936 1.00 0.00 C ATOM 393 C GLY A 24 -11.310 -5.064 -6.414 1.00 0.00 C ATOM 394 O GLY A 24 -11.710 -5.606 -7.446 1.00 0.00 O ATOM 0 H GLY A 24 -10.826 -3.297 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.807 -3.985 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.275 -3.191 -6.797 1.00 0.00 H new ATOM 398 N VAL A 25 -10.330 -5.565 -5.663 1.00 0.00 N ATOM 399 CA VAL A 25 -9.662 -6.807 -6.015 1.00 0.00 C ATOM 400 C VAL A 25 -9.889 -7.875 -4.950 1.00 0.00 C ATOM 401 O VAL A 25 -10.580 -7.639 -3.960 1.00 0.00 O ATOM 402 CB VAL A 25 -8.147 -6.592 -6.194 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.866 -5.807 -7.465 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.561 -5.884 -4.982 1.00 0.00 C ATOM 0 H VAL A 25 -9.985 -5.127 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.091 -7.143 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.669 -7.567 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.791 -5.665 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.249 -6.357 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.357 -4.835 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.490 -5.741 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.043 -4.914 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.729 -6.489 -4.091 1.00 0.00 H new ATOM 414 N GLN A 26 -9.300 -9.048 -5.158 1.00 0.00 N ATOM 415 CA GLN A 26 -9.435 -10.150 -4.218 1.00 0.00 C ATOM 416 C GLN A 26 -8.277 -10.159 -3.228 1.00 0.00 C ATOM 417 O GLN A 26 -7.145 -9.826 -3.578 1.00 0.00 O ATOM 418 CB GLN A 26 -9.495 -11.483 -4.965 1.00 0.00 C ATOM 419 CG GLN A 26 -10.590 -11.541 -6.018 1.00 0.00 C ATOM 420 CD GLN A 26 -10.140 -10.993 -7.358 1.00 0.00 C ATOM 421 OE1 GLN A 26 -10.720 -10.043 -7.879 1.00 0.00 O ATOM 422 NE2 GLN A 26 -9.099 -11.590 -7.922 1.00 0.00 N ATOM 0 H GLN A 26 -8.723 -9.258 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.364 -10.013 -3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.533 -11.666 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.651 -12.287 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.915 -12.574 -6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.454 -10.975 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.647 -12.376 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.750 -11.263 -8.823 1.00 0.00 H new ATOM 431 N GLN A 27 -8.571 -10.542 -1.994 1.00 0.00 N ATOM 432 CA GLN A 27 -7.558 -10.598 -0.945 1.00 0.00 C ATOM 433 C GLN A 27 -6.384 -11.482 -1.358 1.00 0.00 C ATOM 434 O GLN A 27 -5.274 -11.338 -0.846 1.00 0.00 O ATOM 435 CB GLN A 27 -8.169 -11.117 0.357 1.00 0.00 C ATOM 436 CG GLN A 27 -9.488 -10.452 0.718 1.00 0.00 C ATOM 437 CD GLN A 27 -10.600 -11.452 0.929 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.340 -11.381 1.913 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.740 -12.393 0.000 1.00 0.00 N ATOM 0 H GLN A 27 -9.505 -10.820 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.185 -9.586 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.325 -12.192 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.459 -10.961 1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.357 -9.862 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.771 -9.760 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.107 -12.418 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.480 -13.090 0.087 1.00 0.00 H new ATOM 448 N SER A 28 -6.638 -12.396 -2.287 1.00 0.00 N ATOM 449 CA SER A 28 -5.605 -13.303 -2.771 1.00 0.00 C ATOM 450 C SER A 28 -4.481 -12.531 -3.455 1.00 0.00 C ATOM 451 O SER A 28 -3.312 -12.905 -3.360 1.00 0.00 O ATOM 452 CB SER A 28 -6.205 -14.321 -3.741 1.00 0.00 C ATOM 453 OG SER A 28 -7.314 -13.776 -4.433 1.00 0.00 O ATOM 0 H SER A 28 -7.552 -12.529 -2.720 1.00 0.00 H new ATOM 0 HA SER A 28 -5.189 -13.831 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.446 -14.637 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.516 -15.210 -3.193 1.00 0.00 H new ATOM 0 HG SER A 28 -7.678 -14.447 -5.048 1.00 0.00 H new ATOM 459 N ALA A 29 -4.843 -11.456 -4.147 1.00 0.00 N ATOM 460 CA ALA A 29 -3.865 -10.635 -4.849 1.00 0.00 C ATOM 461 C ALA A 29 -2.874 -10.007 -3.876 1.00 0.00 C ATOM 462 O ALA A 29 -1.671 -9.975 -4.133 1.00 0.00 O ATOM 463 CB ALA A 29 -4.566 -9.556 -5.662 1.00 0.00 C ATOM 0 H ALA A 29 -5.807 -11.133 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.307 -11.281 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.823 -8.951 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.228 -10.023 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.151 -8.921 -4.996 1.00 0.00 H new ATOM 469 N ILE A 30 -3.385 -9.513 -2.753 1.00 0.00 N ATOM 470 CA ILE A 30 -2.540 -8.893 -1.740 1.00 0.00 C ATOM 471 C ILE A 30 -1.591 -9.922 -1.135 1.00 0.00 C ATOM 472 O ILE A 30 -0.468 -9.599 -0.751 1.00 0.00 O ATOM 473 CB ILE A 30 -3.385 -8.237 -0.622 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.073 -6.974 -1.145 1.00 0.00 C ATOM 475 CG2 ILE A 30 -2.521 -7.903 0.588 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.016 -7.227 -2.301 1.00 0.00 C ATOM 0 H ILE A 30 -4.378 -9.530 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.959 -8.112 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.148 -8.951 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.628 -6.510 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.312 -6.260 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.138 -7.443 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.073 -8.817 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.733 -7.210 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.465 -6.285 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.463 -7.662 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.800 -7.916 -1.987 1.00 0.00 H new ATOM 488 N ASN A 31 -2.050 -11.166 -1.061 1.00 0.00 N ATOM 489 CA ASN A 31 -1.246 -12.246 -0.510 1.00 0.00 C ATOM 490 C ASN A 31 -0.099 -12.599 -1.451 1.00 0.00 C ATOM 491 O ASN A 31 1.026 -12.835 -1.012 1.00 0.00 O ATOM 492 CB ASN A 31 -2.114 -13.481 -0.259 1.00 0.00 C ATOM 493 CG ASN A 31 -1.734 -14.203 1.020 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.484 -14.643 1.101 1.00 0.00 O flip ATOM 495 ND2 ASN A 31 -2.554 -14.364 1.924 1.00 0.00 N flip ATOM 0 H ASN A 31 -2.977 -11.450 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.827 -11.908 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.161 -13.182 -0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.020 -14.166 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.505 -14.009 1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.283 -14.852 2.778 1.00 0.00 H new ATOM 502 N LYS A 32 -0.395 -12.636 -2.748 1.00 0.00 N ATOM 503 CA LYS A 32 0.609 -12.961 -3.753 1.00 0.00 C ATOM 504 C LYS A 32 1.592 -11.815 -3.942 1.00 0.00 C ATOM 505 O LYS A 32 2.731 -12.022 -4.360 1.00 0.00 O ATOM 506 CB LYS A 32 -0.063 -13.292 -5.086 1.00 0.00 C ATOM 507 CG LYS A 32 -1.145 -14.354 -4.976 1.00 0.00 C ATOM 508 CD LYS A 32 -0.562 -15.755 -5.058 1.00 0.00 C ATOM 509 CE LYS A 32 -0.360 -16.356 -3.676 1.00 0.00 C ATOM 510 NZ LYS A 32 0.334 -17.672 -3.738 1.00 0.00 N ATOM 0 H LYS A 32 -1.323 -12.445 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 32 1.162 -13.832 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.499 -12.382 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.696 -13.630 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.678 -14.235 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.875 -14.215 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.227 -16.393 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.392 -15.723 -5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.221 -15.668 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.327 -16.478 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.452 -18.048 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.233 -18.337 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.268 -17.552 -4.180 1.00 0.00 H new ATOM 524 N TRP A 33 1.142 -10.604 -3.643 1.00 0.00 N ATOM 525 CA TRP A 33 1.965 -9.422 -3.784 1.00 0.00 C ATOM 526 C TRP A 33 3.132 -9.437 -2.804 1.00 0.00 C ATOM 527 O TRP A 33 4.270 -9.143 -3.172 1.00 0.00 O ATOM 528 CB TRP A 33 1.088 -8.201 -3.558 1.00 0.00 C ATOM 529 CG TRP A 33 0.158 -7.933 -4.686 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.202 -8.503 -5.908 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.962 -7.049 -4.689 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.812 -8.016 -6.698 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.543 -7.118 -5.966 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.522 -6.203 -3.737 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.660 -6.370 -6.317 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.634 -5.459 -4.080 1.00 0.00 C ATOM 537 CH2 TRP A 33 -3.194 -5.545 -5.363 1.00 0.00 C ATOM 0 H TRP A 33 0.200 -10.419 -3.298 1.00 0.00 H new ATOM 0 HA TRP A 33 2.393 -9.396 -4.786 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.510 -8.340 -2.644 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.723 -7.329 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.930 -9.237 -6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.990 -8.279 -7.667 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.095 -6.129 -2.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.091 -6.437 -7.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -3.079 -4.801 -3.349 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.062 -4.950 -5.603 1.00 0.00 H new ATOM 548 N ILE A 34 2.846 -9.784 -1.555 1.00 0.00 N ATOM 549 CA ILE A 34 3.875 -9.840 -0.521 1.00 0.00 C ATOM 550 C ILE A 34 4.573 -11.196 -0.513 1.00 0.00 C ATOM 551 O ILE A 34 5.725 -11.310 -0.090 1.00 0.00 O ATOM 552 CB ILE A 34 3.282 -9.572 0.877 1.00 0.00 C ATOM 553 CG1 ILE A 34 2.370 -8.344 0.842 1.00 0.00 C ATOM 554 CG2 ILE A 34 4.396 -9.383 1.897 1.00 0.00 C ATOM 555 CD1 ILE A 34 1.741 -8.019 2.179 1.00 0.00 C ATOM 0 H ILE A 34 1.910 -10.031 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 34 4.601 -9.062 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 34 2.686 -10.435 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.946 -7.483 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.580 -8.509 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.962 -9.195 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.009 -10.284 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.016 -8.535 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.108 -7.137 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.137 -8.863 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.524 -7.822 2.911 1.00 0.00 H new ATOM 567 N HIS A 35 3.872 -12.223 -0.983 1.00 0.00 N ATOM 568 CA HIS A 35 4.424 -13.571 -1.031 1.00 0.00 C ATOM 569 C HIS A 35 5.645 -13.631 -1.936 1.00 0.00 C ATOM 570 O HIS A 35 6.612 -14.339 -1.654 1.00 0.00 O ATOM 571 CB HIS A 35 3.365 -14.555 -1.528 1.00 0.00 C ATOM 572 CG HIS A 35 2.722 -15.354 -0.441 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.980 -16.484 -0.497 1.00 0.00 N flip ATOM 574 CD2 HIS A 35 2.802 -15.016 0.896 1.00 0.00 C flip ATOM 575 CE1 HIS A 35 1.630 -16.808 0.790 1.00 0.00 C flip ATOM 576 NE2 HIS A 35 2.138 -15.907 1.612 1.00 0.00 N flip ATOM 0 H HIS A 35 2.918 -12.146 -1.337 1.00 0.00 H new ATOM 0 HA HIS A 35 4.730 -13.846 -0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.593 -14.003 -2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.824 -15.237 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.325 -14.159 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.036 -17.661 1.083 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.035 -15.900 2.627 1.00 0.00 H new ATOM 585 N ALA A 36 5.583 -12.888 -3.026 1.00 0.00 N ATOM 586 CA ALA A 36 6.673 -12.850 -3.993 1.00 0.00 C ATOM 587 C ALA A 36 7.632 -11.692 -3.718 1.00 0.00 C ATOM 588 O ALA A 36 8.631 -11.526 -4.417 1.00 0.00 O ATOM 589 CB ALA A 36 6.112 -12.753 -5.403 1.00 0.00 C ATOM 0 H ALA A 36 4.786 -12.299 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 36 7.242 -13.775 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.933 -12.725 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.483 -13.620 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.518 -11.844 -5.496 1.00 0.00 H new ATOM 595 N GLY A 37 7.328 -10.895 -2.696 1.00 0.00 N ATOM 596 CA GLY A 37 8.181 -9.771 -2.355 1.00 0.00 C ATOM 597 C GLY A 37 7.975 -8.582 -3.273 1.00 0.00 C ATOM 598 O GLY A 37 8.883 -7.770 -3.460 1.00 0.00 O ATOM 0 H GLY A 37 6.508 -11.008 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.984 -9.469 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.224 -10.084 -2.401 1.00 0.00 H new ATOM 602 N ARG A 38 6.781 -8.475 -3.844 1.00 0.00 N ATOM 603 CA ARG A 38 6.463 -7.373 -4.744 1.00 0.00 C ATOM 604 C ARG A 38 6.287 -6.074 -3.966 1.00 0.00 C ATOM 605 O ARG A 38 5.222 -5.813 -3.405 1.00 0.00 O ATOM 606 CB ARG A 38 5.193 -7.682 -5.539 1.00 0.00 C ATOM 607 CG ARG A 38 4.904 -6.675 -6.639 1.00 0.00 C ATOM 608 CD ARG A 38 4.257 -7.335 -7.845 1.00 0.00 C ATOM 609 NE ARG A 38 4.103 -6.405 -8.961 1.00 0.00 N ATOM 610 CZ ARG A 38 3.424 -6.687 -10.071 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.833 -7.865 -10.216 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.334 -5.784 -11.038 1.00 0.00 N ATOM 0 H ARG A 38 6.018 -9.137 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 38 7.294 -7.252 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.283 -8.674 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.345 -7.714 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.248 -5.894 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.832 -6.191 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.862 -8.184 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.280 -7.728 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 38 4.541 -5.487 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.897 -8.562 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.315 -8.074 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.785 -4.875 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.814 -5.998 -11.889 1.00 0.00 H new ATOM 626 N LYS A 39 7.340 -5.264 -3.933 1.00 0.00 N ATOM 627 CA LYS A 39 7.305 -3.991 -3.221 1.00 0.00 C ATOM 628 C LYS A 39 6.181 -3.102 -3.739 1.00 0.00 C ATOM 629 O LYS A 39 6.204 -2.660 -4.888 1.00 0.00 O ATOM 630 CB LYS A 39 8.646 -3.269 -3.361 1.00 0.00 C ATOM 631 CG LYS A 39 9.072 -3.052 -4.804 1.00 0.00 C ATOM 632 CD LYS A 39 10.554 -3.331 -4.997 1.00 0.00 C ATOM 633 CE LYS A 39 10.788 -4.701 -5.615 1.00 0.00 C ATOM 634 NZ LYS A 39 12.175 -4.847 -6.133 1.00 0.00 N ATOM 0 H LYS A 39 8.229 -5.466 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 39 7.118 -4.201 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.583 -2.303 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.415 -3.845 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.490 -3.702 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.853 -2.026 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.989 -2.563 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.064 -3.272 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.596 -5.473 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.079 -4.859 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.423 -5.856 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.237 -4.429 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.837 -4.359 -5.496 1.00 0.00 H new ATOM 648 N ILE A 40 5.197 -2.842 -2.882 1.00 0.00 N ATOM 649 CA ILE A 40 4.064 -2.004 -3.252 1.00 0.00 C ATOM 650 C ILE A 40 3.689 -1.063 -2.112 1.00 0.00 C ATOM 651 O ILE A 40 3.885 -1.381 -0.939 1.00 0.00 O ATOM 652 CB ILE A 40 2.835 -2.856 -3.636 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.151 -3.713 -4.864 1.00 0.00 C ATOM 654 CG2 ILE A 40 1.626 -1.964 -3.896 1.00 0.00 C ATOM 655 CD1 ILE A 40 1.942 -4.421 -5.437 1.00 0.00 C ATOM 0 H ILE A 40 5.163 -3.200 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 40 4.368 -1.417 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 40 2.594 -3.518 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.590 -3.080 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.902 -4.455 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.769 -2.582 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.394 -1.394 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.849 -1.277 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.242 -5.009 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.515 -5.081 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.198 -3.684 -5.738 1.00 0.00 H new ATOM 667 N PHE A 41 3.147 0.097 -2.467 1.00 0.00 N ATOM 668 CA PHE A 41 2.741 1.087 -1.475 1.00 0.00 C ATOM 669 C PHE A 41 1.327 1.586 -1.752 1.00 0.00 C ATOM 670 O PHE A 41 1.046 2.117 -2.827 1.00 0.00 O ATOM 671 CB PHE A 41 3.712 2.273 -1.469 1.00 0.00 C ATOM 672 CG PHE A 41 4.821 2.149 -0.460 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.642 1.033 -0.443 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.041 3.151 0.470 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.662 0.920 0.485 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.058 3.044 1.400 1.00 0.00 C ATOM 677 CZ PHE A 41 6.870 1.926 1.407 1.00 0.00 C ATOM 0 H PHE A 41 2.979 0.375 -3.434 1.00 0.00 H new ATOM 0 HA PHE A 41 2.759 0.605 -0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.148 2.378 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.153 3.187 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.484 0.243 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.410 4.027 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.295 0.045 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.218 3.833 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.666 1.839 2.132 1.00 0.00 H new ATOM 687 N LEU A 42 0.439 1.413 -0.779 1.00 0.00 N ATOM 688 CA LEU A 42 -0.944 1.850 -0.921 1.00 0.00 C ATOM 689 C LEU A 42 -1.091 3.324 -0.567 1.00 0.00 C ATOM 690 O LEU A 42 -0.865 3.725 0.575 1.00 0.00 O ATOM 691 CB LEU A 42 -1.858 1.007 -0.030 1.00 0.00 C ATOM 692 CG LEU A 42 -2.276 -0.336 -0.630 1.00 0.00 C ATOM 693 CD1 LEU A 42 -1.666 -1.489 0.152 1.00 0.00 C ATOM 694 CD2 LEU A 42 -3.794 -0.460 -0.673 1.00 0.00 C ATOM 0 H LEU A 42 0.653 0.973 0.116 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.235 1.717 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.351 0.824 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.755 1.584 0.195 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.901 -0.381 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.977 -2.435 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.579 -1.414 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.005 -1.446 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.068 -1.423 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.194 -0.388 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.207 0.342 -1.285 1.00 0.00 H new ATOM 706 N THR A 43 -1.473 4.128 -1.554 1.00 0.00 N ATOM 707 CA THR A 43 -1.653 5.558 -1.346 1.00 0.00 C ATOM 708 C THR A 43 -3.134 5.906 -1.231 1.00 0.00 C ATOM 709 O THR A 43 -3.870 5.858 -2.217 1.00 0.00 O ATOM 710 CB THR A 43 -1.020 6.347 -2.492 1.00 0.00 C ATOM 711 OG1 THR A 43 0.303 5.902 -2.737 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.964 7.836 -2.236 1.00 0.00 C ATOM 0 H THR A 43 -1.664 3.813 -2.505 1.00 0.00 H new ATOM 0 HA THR A 43 -1.159 5.829 -0.413 1.00 0.00 H new ATOM 0 HB THR A 43 -1.663 6.168 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.475 5.904 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.503 8.335 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.975 8.219 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.374 8.029 -1.340 1.00 0.00 H new ATOM 720 N ILE A 44 -3.561 6.253 -0.021 1.00 0.00 N ATOM 721 CA ILE A 44 -4.954 6.605 0.224 1.00 0.00 C ATOM 722 C ILE A 44 -5.242 8.040 -0.206 1.00 0.00 C ATOM 723 O ILE A 44 -4.614 8.982 0.279 1.00 0.00 O ATOM 724 CB ILE A 44 -5.323 6.443 1.712 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.903 5.062 2.219 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.817 6.654 1.914 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.320 5.083 3.616 1.00 0.00 C ATOM 0 H ILE A 44 -2.963 6.298 0.804 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.561 5.921 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.787 7.198 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.769 4.400 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.168 4.640 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.062 6.536 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.090 7.658 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.371 5.919 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.044 4.070 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.435 5.719 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.060 5.475 4.313 1.00 0.00 H new ATOM 739 N ASN A 45 -6.195 8.199 -1.119 1.00 0.00 N ATOM 740 CA ASN A 45 -6.568 9.519 -1.614 1.00 0.00 C ATOM 741 C ASN A 45 -7.520 10.216 -0.647 1.00 0.00 C ATOM 742 O ASN A 45 -7.996 9.613 0.314 1.00 0.00 O ATOM 743 CB ASN A 45 -7.219 9.403 -2.994 1.00 0.00 C ATOM 744 CG ASN A 45 -6.225 9.015 -4.072 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.015 9.163 -3.899 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.733 8.516 -5.193 1.00 0.00 N ATOM 0 H ASN A 45 -6.723 7.430 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.661 10.118 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.017 8.661 -2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.681 10.355 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.114 8.238 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.743 8.411 -5.293 1.00 0.00 H new ATOM 753 N ALA A 46 -7.789 11.492 -0.906 1.00 0.00 N ATOM 754 CA ALA A 46 -8.683 12.274 -0.059 1.00 0.00 C ATOM 755 C ALA A 46 -10.140 11.857 -0.246 1.00 0.00 C ATOM 756 O ALA A 46 -11.010 12.289 0.503 1.00 0.00 O ATOM 757 CB ALA A 46 -8.518 13.757 -0.348 1.00 0.00 C ATOM 0 H ALA A 46 -7.400 12.007 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.412 12.080 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.191 14.329 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.488 14.054 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.756 13.953 -1.393 1.00 0.00 H new ATOM 763 N ASP A 47 -10.390 11.017 -1.246 1.00 0.00 N ATOM 764 CA ASP A 47 -11.750 10.549 -1.522 1.00 0.00 C ATOM 765 C ASP A 47 -11.950 9.117 -1.028 1.00 0.00 C ATOM 766 O ASP A 47 -13.080 8.667 -0.845 1.00 0.00 O ATOM 767 CB ASP A 47 -12.060 10.630 -3.023 1.00 0.00 C ATOM 768 CG ASP A 47 -10.810 10.697 -3.893 1.00 0.00 C ATOM 769 OD1 ASP A 47 -9.849 9.966 -3.599 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.810 11.481 -4.865 1.00 0.00 O ATOM 0 H ASP A 47 -9.678 10.647 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.438 11.201 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.650 9.760 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.675 11.510 -3.213 1.00 0.00 H new ATOM 775 N GLY A 48 -10.840 8.409 -0.813 1.00 0.00 N ATOM 776 CA GLY A 48 -10.920 7.038 -0.341 1.00 0.00 C ATOM 777 C GLY A 48 -10.340 6.045 -1.331 1.00 0.00 C ATOM 778 O GLY A 48 -10.430 4.834 -1.128 1.00 0.00 O ATOM 0 H GLY A 48 -9.893 8.760 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.389 6.953 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.962 6.785 -0.146 1.00 0.00 H new ATOM 782 N SER A 49 -9.745 6.553 -2.406 1.00 0.00 N ATOM 783 CA SER A 49 -9.150 5.697 -3.423 1.00 0.00 C ATOM 784 C SER A 49 -7.723 5.313 -3.046 1.00 0.00 C ATOM 785 O SER A 49 -6.919 6.166 -2.672 1.00 0.00 O ATOM 786 CB SER A 49 -9.163 6.397 -4.779 1.00 0.00 C ATOM 787 OG SER A 49 -9.951 5.683 -5.716 1.00 0.00 O ATOM 0 H SER A 49 -9.663 7.552 -2.594 1.00 0.00 H new ATOM 0 HA SER A 49 -9.745 4.786 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.555 7.408 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.143 6.490 -5.153 1.00 0.00 H new ATOM 0 HG SER A 49 -9.944 6.154 -6.576 1.00 0.00 H new ATOM 793 N VAL A 50 -7.417 4.024 -3.141 1.00 0.00 N ATOM 794 CA VAL A 50 -6.085 3.530 -2.805 1.00 0.00 C ATOM 795 C VAL A 50 -5.409 2.908 -4.020 1.00 0.00 C ATOM 796 O VAL A 50 -5.678 1.760 -4.373 1.00 0.00 O ATOM 797 CB VAL A 50 -6.129 2.487 -1.667 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.896 2.613 -0.788 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.395 2.633 -0.836 1.00 0.00 C ATOM 0 H VAL A 50 -8.071 3.303 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.510 4.392 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.138 1.495 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.941 1.872 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.002 2.446 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.860 3.612 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.398 1.885 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.428 3.630 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.267 2.489 -1.473 1.00 0.00 H new ATOM 809 N TYR A 51 -4.525 3.671 -4.656 1.00 0.00 N ATOM 810 CA TYR A 51 -3.810 3.185 -5.830 1.00 0.00 C ATOM 811 C TYR A 51 -2.487 2.541 -5.428 1.00 0.00 C ATOM 812 O TYR A 51 -1.726 3.100 -4.639 1.00 0.00 O ATOM 813 CB TYR A 51 -3.567 4.327 -6.821 1.00 0.00 C ATOM 814 CG TYR A 51 -2.584 5.369 -6.334 1.00 0.00 C ATOM 815 CD1 TYR A 51 -1.216 5.136 -6.375 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.027 6.589 -5.838 1.00 0.00 C ATOM 817 CE1 TYR A 51 -0.316 6.089 -5.936 1.00 0.00 C ATOM 818 CE2 TYR A 51 -2.134 7.547 -5.397 1.00 0.00 C ATOM 819 CZ TYR A 51 -0.779 7.292 -5.447 1.00 0.00 C ATOM 820 OH TYR A 51 0.113 8.243 -5.008 1.00 0.00 O ATOM 0 H TYR A 51 -4.288 4.624 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.427 2.429 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.201 3.908 -7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.518 4.814 -7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.849 4.195 -6.756 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.087 6.792 -5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.745 5.892 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.495 8.491 -5.015 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.265 9.136 -5.149 1.00 0.00 H new ATOM 830 N ALA A 52 -2.224 1.357 -5.971 1.00 0.00 N ATOM 831 CA ALA A 52 -0.997 0.631 -5.664 1.00 0.00 C ATOM 832 C ALA A 52 0.131 1.027 -6.610 1.00 0.00 C ATOM 833 O ALA A 52 -0.058 1.094 -7.825 1.00 0.00 O ATOM 834 CB ALA A 52 -1.242 -0.868 -5.732 1.00 0.00 C ATOM 0 H ALA A 52 -2.844 0.880 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.693 0.895 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.318 -1.398 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.010 -1.144 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.574 -1.137 -6.735 1.00 0.00 H new ATOM 840 N GLU A 53 1.305 1.285 -6.044 1.00 0.00 N ATOM 841 CA GLU A 53 2.469 1.669 -6.834 1.00 0.00 C ATOM 842 C GLU A 53 3.604 0.667 -6.644 1.00 0.00 C ATOM 843 O GLU A 53 3.510 -0.241 -5.818 1.00 0.00 O ATOM 844 CB GLU A 53 2.939 3.071 -6.444 1.00 0.00 C ATOM 845 CG GLU A 53 3.425 3.174 -5.008 1.00 0.00 C ATOM 846 CD GLU A 53 4.485 4.242 -4.826 1.00 0.00 C ATOM 847 OE1 GLU A 53 5.141 4.603 -5.826 1.00 0.00 O ATOM 848 OE2 GLU A 53 4.660 4.717 -3.685 1.00 0.00 O ATOM 0 H GLU A 53 1.476 1.235 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 53 2.180 1.673 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.744 3.374 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.119 3.774 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.579 3.393 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.828 2.211 -4.695 1.00 0.00 H new ATOM 855 N GLU A 54 4.674 0.836 -7.414 1.00 0.00 N ATOM 856 CA GLU A 54 5.825 -0.056 -7.329 1.00 0.00 C ATOM 857 C GLU A 54 7.088 0.719 -6.972 1.00 0.00 C ATOM 858 O GLU A 54 7.395 1.742 -7.584 1.00 0.00 O ATOM 859 CB GLU A 54 6.022 -0.796 -8.654 1.00 0.00 C ATOM 860 CG GLU A 54 6.494 -2.230 -8.484 1.00 0.00 C ATOM 861 CD GLU A 54 7.663 -2.572 -9.388 1.00 0.00 C ATOM 862 OE1 GLU A 54 7.607 -2.226 -10.586 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.633 -3.186 -8.898 1.00 0.00 O ATOM 0 H GLU A 54 4.768 1.582 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 54 5.633 -0.784 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.081 -0.795 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.747 -0.253 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.783 -2.392 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.667 -2.908 -8.694 1.00 0.00 H new ATOM 870 N VAL A 55 7.820 0.223 -5.979 1.00 0.00 N ATOM 871 CA VAL A 55 9.051 0.866 -5.542 1.00 0.00 C ATOM 872 C VAL A 55 10.233 0.426 -6.400 1.00 0.00 C ATOM 873 O VAL A 55 10.245 -0.682 -6.936 1.00 0.00 O ATOM 874 CB VAL A 55 9.359 0.552 -4.065 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.558 1.354 -3.583 1.00 0.00 C ATOM 876 CG2 VAL A 55 8.141 0.825 -3.194 1.00 0.00 C ATOM 0 H VAL A 55 7.580 -0.623 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 55 8.902 1.940 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 55 9.605 -0.507 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.758 1.117 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.431 1.102 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.346 2.419 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.378 0.597 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.860 1.875 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.311 0.199 -3.522 1.00 0.00 H new ATOM 886 N LYS A 56 11.226 1.301 -6.526 1.00 0.00 N ATOM 887 CA LYS A 56 12.411 1.000 -7.320 1.00 0.00 C ATOM 888 C LYS A 56 13.384 0.124 -6.532 1.00 0.00 C ATOM 889 O LYS A 56 13.641 0.375 -5.355 1.00 0.00 O ATOM 890 CB LYS A 56 13.105 2.296 -7.747 1.00 0.00 C ATOM 891 CG LYS A 56 14.141 2.098 -8.841 1.00 0.00 C ATOM 892 CD LYS A 56 15.053 3.307 -8.969 1.00 0.00 C ATOM 893 CE LYS A 56 14.291 4.530 -9.451 1.00 0.00 C ATOM 894 NZ LYS A 56 14.034 4.482 -10.917 1.00 0.00 N ATOM 0 H LYS A 56 11.233 2.223 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 56 12.096 0.454 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.353 3.004 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.587 2.744 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.738 1.212 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.638 1.918 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.513 3.521 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.861 3.083 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.343 4.600 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.859 5.429 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.512 5.334 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.939 4.441 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.471 3.638 -11.143 1.00 0.00 H new ATOM 908 N PRO A 57 13.941 -0.920 -7.170 1.00 0.00 N ATOM 909 CA PRO A 57 14.889 -1.827 -6.517 1.00 0.00 C ATOM 910 C PRO A 57 16.254 -1.181 -6.308 1.00 0.00 C ATOM 911 O PRO A 57 16.416 0.025 -6.490 1.00 0.00 O ATOM 912 CB PRO A 57 14.993 -2.996 -7.499 1.00 0.00 C ATOM 913 CG PRO A 57 14.695 -2.396 -8.829 1.00 0.00 C ATOM 914 CD PRO A 57 13.695 -1.298 -8.577 1.00 0.00 C ATOM 0 HA PRO A 57 14.557 -2.119 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.987 -3.443 -7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.283 -3.786 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.600 -2.001 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.290 -3.143 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.847 -0.455 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.673 -1.645 -8.726 1.00 0.00 H new ATOM 922 N ASP A 58 17.235 -1.993 -5.927 1.00 0.00 N ATOM 923 CA ASP A 58 18.587 -1.499 -5.695 1.00 0.00 C ATOM 924 C ASP A 58 19.473 -1.748 -6.914 1.00 0.00 C ATOM 925 O ASP A 58 19.103 -2.503 -7.814 1.00 0.00 O ATOM 926 CB ASP A 58 19.192 -2.172 -4.461 1.00 0.00 C ATOM 927 CG ASP A 58 19.176 -1.267 -3.245 1.00 0.00 C ATOM 928 OD1 ASP A 58 18.091 -0.753 -2.900 1.00 0.00 O ATOM 929 OD2 ASP A 58 20.250 -1.072 -2.636 1.00 0.00 O ATOM 0 H ASP A 58 17.119 -2.995 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 58 18.532 -0.424 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.638 -3.084 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.219 -2.467 -4.678 1.00 0.00 H new ATOM 934 N PRO A 59 20.656 -1.114 -6.960 1.00 0.00 N ATOM 935 CA PRO A 59 21.593 -1.273 -8.079 1.00 0.00 C ATOM 936 C PRO A 59 22.188 -2.676 -8.140 1.00 0.00 C ATOM 937 O PRO A 59 23.256 -2.933 -7.583 1.00 0.00 O ATOM 938 CB PRO A 59 22.685 -0.241 -7.782 1.00 0.00 C ATOM 939 CG PRO A 59 22.621 -0.031 -6.309 1.00 0.00 C ATOM 940 CD PRO A 59 21.175 -0.196 -5.930 1.00 0.00 C ATOM 0 HA PRO A 59 21.104 -1.128 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.666 -0.605 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.508 0.689 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 59 23.247 -0.753 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 59 22.984 0.961 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.067 -0.613 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.646 0.757 -5.937 1.00 0.00 H new ATOM 948 N SER A 60 21.489 -3.579 -8.820 1.00 0.00 N ATOM 949 CA SER A 60 21.947 -4.956 -8.955 1.00 0.00 C ATOM 950 C SER A 60 22.818 -5.121 -10.197 1.00 0.00 C ATOM 951 O SER A 60 22.557 -5.975 -11.044 1.00 0.00 O ATOM 952 CB SER A 60 20.752 -5.908 -9.023 1.00 0.00 C ATOM 953 OG SER A 60 20.048 -5.758 -10.244 1.00 0.00 O ATOM 0 H SER A 60 20.603 -3.381 -9.286 1.00 0.00 H new ATOM 0 HA SER A 60 22.547 -5.201 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.097 -6.937 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.081 -5.714 -8.187 1.00 0.00 H new ATOM 0 HG SER A 60 20.619 -6.043 -10.988 1.00 0.00 H new ATOM 959 N ASN A 61 23.856 -4.297 -10.299 1.00 0.00 N ATOM 960 CA ASN A 61 24.766 -4.350 -11.437 1.00 0.00 C ATOM 961 C ASN A 61 25.775 -5.482 -11.274 1.00 0.00 C ATOM 962 O ASN A 61 25.940 -6.027 -10.182 1.00 0.00 O ATOM 963 CB ASN A 61 25.498 -3.017 -11.595 1.00 0.00 C ATOM 964 CG ASN A 61 26.287 -2.641 -10.355 1.00 0.00 C ATOM 965 OD1 ASN A 61 25.764 -2.003 -9.442 1.00 0.00 O ATOM 966 ND2 ASN A 61 27.554 -3.036 -10.319 1.00 0.00 N ATOM 0 H ASN A 61 24.088 -3.584 -9.607 1.00 0.00 H new ATOM 0 HA ASN A 61 24.176 -4.540 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 61 26.173 -3.075 -12.449 1.00 0.00 H new ATOM 0 HB3 ASN A 61 24.774 -2.232 -11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.135 -2.812 -9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.946 -3.563 -11.099 1.00 0.00 H new ATOM 973 N LYS A 62 26.449 -5.829 -12.365 1.00 0.00 N ATOM 974 CA LYS A 62 27.442 -6.896 -12.343 1.00 0.00 C ATOM 975 C LYS A 62 28.805 -6.361 -11.912 1.00 0.00 C ATOM 976 O LYS A 62 29.124 -5.194 -12.136 1.00 0.00 O ATOM 977 CB LYS A 62 27.551 -7.547 -13.722 1.00 0.00 C ATOM 978 CG LYS A 62 26.241 -8.137 -14.221 1.00 0.00 C ATOM 979 CD LYS A 62 26.273 -9.656 -14.219 1.00 0.00 C ATOM 980 CE LYS A 62 25.590 -10.228 -12.988 1.00 0.00 C ATOM 981 NZ LYS A 62 24.194 -10.659 -13.275 1.00 0.00 N ATOM 0 H LYS A 62 26.326 -5.387 -13.276 1.00 0.00 H new ATOM 0 HA LYS A 62 27.119 -7.645 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.902 -6.804 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.304 -8.334 -13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 62 25.422 -7.789 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.041 -7.778 -15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 25.782 -10.032 -15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 62 27.307 -9.999 -14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 62 26.163 -11.078 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.583 -9.479 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.764 -11.043 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 23.640 -9.843 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.202 -11.393 -14.012 1.00 0.00 H new ATOM 995 N LYS A 63 29.602 -7.222 -11.290 1.00 0.00 N ATOM 996 CA LYS A 63 30.929 -6.837 -10.827 1.00 0.00 C ATOM 997 C LYS A 63 31.892 -8.019 -10.889 1.00 0.00 C ATOM 998 O LYS A 63 31.472 -9.169 -11.010 1.00 0.00 O ATOM 999 CB LYS A 63 30.857 -6.298 -9.395 1.00 0.00 C ATOM 1000 CG LYS A 63 31.936 -5.275 -9.077 1.00 0.00 C ATOM 1001 CD LYS A 63 32.860 -5.762 -7.973 1.00 0.00 C ATOM 1002 CE LYS A 63 33.248 -4.634 -7.032 1.00 0.00 C ATOM 1003 NZ LYS A 63 32.057 -4.016 -6.386 1.00 0.00 N ATOM 0 H LYS A 63 29.352 -8.191 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 63 31.302 -6.052 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.879 -5.844 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.940 -7.131 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.518 -5.068 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.471 -4.336 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.368 -6.555 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 63 33.758 -6.195 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.920 -5.017 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 33.797 -3.872 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.320 -3.654 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.711 -3.232 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.308 -4.730 -6.285 1.00 0.00 H new ATOM 1017 N THR A 64 33.186 -7.727 -10.803 1.00 0.00 N ATOM 1018 CA THR A 64 34.209 -8.766 -10.849 1.00 0.00 C ATOM 1019 C THR A 64 34.596 -9.211 -9.443 1.00 0.00 C ATOM 1020 O THR A 64 34.583 -8.416 -8.503 1.00 0.00 O ATOM 1021 CB THR A 64 35.444 -8.260 -11.596 1.00 0.00 C ATOM 1022 OG1 THR A 64 35.987 -7.122 -10.952 1.00 0.00 O ATOM 1023 CG2 THR A 64 35.162 -7.884 -13.034 1.00 0.00 C ATOM 0 H THR A 64 33.551 -6.780 -10.701 1.00 0.00 H new ATOM 0 HA THR A 64 33.798 -9.624 -11.381 1.00 0.00 H new ATOM 0 HB THR A 64 36.148 -9.092 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 64 36.777 -6.814 -11.443 1.00 0.00 H new ATOM 0 HG21 THR A 64 36.080 -7.533 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 64 34.788 -8.756 -13.571 1.00 0.00 H new ATOM 0 HG23 THR A 64 34.414 -7.092 -13.063 1.00 0.00 H new ATOM 1031 N THR A 65 34.940 -10.488 -9.306 1.00 0.00 N ATOM 1032 CA THR A 65 35.332 -11.040 -8.016 1.00 0.00 C ATOM 1033 C THR A 65 36.620 -11.847 -8.136 1.00 0.00 C ATOM 1034 O THR A 65 36.751 -12.695 -9.018 1.00 0.00 O ATOM 1035 CB THR A 65 34.215 -11.921 -7.454 1.00 0.00 C ATOM 1036 OG1 THR A 65 33.738 -12.816 -8.444 1.00 0.00 O ATOM 1037 CG2 THR A 65 33.031 -11.133 -6.940 1.00 0.00 C ATOM 0 H THR A 65 34.955 -11.159 -10.074 1.00 0.00 H new ATOM 0 HA THR A 65 35.509 -10.209 -7.333 1.00 0.00 H new ATOM 0 HB THR A 65 34.663 -12.457 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 65 34.459 -13.019 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 65 32.276 -11.819 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 65 33.356 -10.467 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 65 32.606 -10.544 -7.752 1.00 0.00 H new ATOM 1045 N ALA A 66 37.567 -11.577 -7.245 1.00 0.00 N ATOM 1046 CA ALA A 66 38.846 -12.278 -7.253 1.00 0.00 C ATOM 1047 C ALA A 66 39.539 -12.170 -5.897 1.00 0.00 C ATOM 1048 O ALA A 66 39.339 -13.074 -5.059 1.00 0.00 O ATOM 1049 CB ALA A 66 39.742 -11.728 -8.351 1.00 0.00 C ATOM 1050 OXT ALA A 66 40.275 -11.183 -5.688 1.00 0.00 O ATOM 0 H ALA A 66 37.474 -10.878 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 66 38.654 -13.333 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 66 40.693 -12.260 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 66 39.257 -11.862 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 66 39.919 -10.666 -8.178 1.00 0.00 H new TER 1056 ALA A 66