USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc=0.000302 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0244) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.183 USER MOD Set 3.2: A 28 GLN : amide:sc= 0.19 X(o=0.37,f=0.0048) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 116:sc= -3.26! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -156:sc=-0.00689 (180deg=-0.151) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 0.0879 (180deg=0.0207) USER MOD Single : A 43 SER OG : rot 66:sc= 0.907 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.383 USER MOD Single : A 57 TYR OH : rot -82:sc= 1.19 USER MOD Single : A 59 SER OG : rot 37:sc= 0.233 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.345 K(o=-0.34,f=-2.9!) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.252 F(o=-1.1,f=0.25) USER MOD Single : A 77 GLN : amide:sc=-0.000249 X(o=-0.00025,f=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.914 USER MOD Single : A 83 ASN :FLIP amide:sc= 0.108 F(o=-0.89,f=0.11) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.121 4.761 -14.021 1.00 0.00 N ATOM 67 CA GLN A 8 0.778 3.469 -14.175 1.00 0.00 C ATOM 68 C GLN A 8 0.696 2.659 -12.885 1.00 0.00 C ATOM 69 O GLN A 8 0.597 3.220 -11.793 1.00 0.00 O ATOM 70 CB GLN A 8 2.241 3.662 -14.577 1.00 0.00 C ATOM 71 CG GLN A 8 3.110 4.220 -13.462 1.00 0.00 C ATOM 72 CD GLN A 8 4.569 4.334 -13.860 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.081 3.518 -14.627 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.247 5.350 -13.340 1.00 0.00 N ATOM 0 HA GLN A 8 0.262 2.919 -14.962 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.650 2.705 -14.900 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.288 4.334 -15.434 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.738 5.203 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.026 3.578 -12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.783 6.003 -12.708 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.232 5.478 -13.572 1.00 0.00 H new ATOM 83 N LEU A 9 0.737 1.338 -13.018 1.00 0.00 N ATOM 84 CA LEU A 9 0.667 0.451 -11.863 1.00 0.00 C ATOM 85 C LEU A 9 2.058 0.182 -11.297 1.00 0.00 C ATOM 86 O LEU A 9 2.990 -0.134 -12.037 1.00 0.00 O ATOM 87 CB LEU A 9 -0.003 -0.869 -12.249 1.00 0.00 C ATOM 88 CG LEU A 9 -1.523 -0.923 -12.090 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.209 -0.532 -13.390 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.964 -2.310 -11.647 1.00 0.00 C ATOM 0 H LEU A 9 0.818 0.858 -13.914 1.00 0.00 H new ATOM 0 HA LEU A 9 0.071 0.943 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.241 -1.087 -13.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.434 -1.665 -11.646 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.815 -0.209 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.290 -0.576 -13.258 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.918 0.482 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.911 -1.221 -14.180 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.048 -2.330 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.660 -3.044 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.500 -2.551 -10.691 1.00 0.00 H new ATOM 102 N LEU A 10 2.190 0.307 -9.981 1.00 0.00 N ATOM 103 CA LEU A 10 3.467 0.075 -9.315 1.00 0.00 C ATOM 104 C LEU A 10 3.517 -1.322 -8.705 1.00 0.00 C ATOM 105 O LEU A 10 2.486 -1.895 -8.353 1.00 0.00 O ATOM 106 CB LEU A 10 3.696 1.128 -8.229 1.00 0.00 C ATOM 107 CG LEU A 10 3.061 2.497 -8.476 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.557 3.507 -7.453 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.359 2.975 -9.889 1.00 0.00 C ATOM 0 H LEU A 10 1.429 0.568 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 10 4.258 0.153 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.314 0.737 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.770 1.265 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 10 1.981 2.401 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.095 4.475 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.292 3.170 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.640 3.601 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.900 3.951 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.437 3.055 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.954 2.262 -10.607 1.00 0.00 H new ATOM 121 N THR A 11 4.725 -1.864 -8.580 1.00 0.00 N ATOM 122 CA THR A 11 4.910 -3.193 -8.011 1.00 0.00 C ATOM 123 C THR A 11 5.591 -3.118 -6.649 1.00 0.00 C ATOM 124 O THR A 11 6.804 -2.927 -6.560 1.00 0.00 O ATOM 125 CB THR A 11 5.747 -4.091 -8.942 1.00 0.00 C ATOM 126 OG1 THR A 11 5.185 -4.090 -10.259 1.00 0.00 O ATOM 127 CG2 THR A 11 5.807 -5.515 -8.411 1.00 0.00 C ATOM 0 H THR A 11 5.589 -1.403 -8.865 1.00 0.00 H new ATOM 0 HA THR A 11 3.917 -3.628 -7.894 1.00 0.00 H new ATOM 0 HB THR A 11 6.761 -3.692 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.724 -4.662 -10.845 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.403 -6.130 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.263 -5.515 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.798 -5.922 -8.346 1.00 0.00 H new ATOM 135 N LEU A 12 4.803 -3.271 -5.591 1.00 0.00 N ATOM 136 CA LEU A 12 5.330 -3.221 -4.231 1.00 0.00 C ATOM 137 C LEU A 12 5.044 -4.522 -3.488 1.00 0.00 C ATOM 138 O LEU A 12 4.357 -5.405 -4.002 1.00 0.00 O ATOM 139 CB LEU A 12 4.723 -2.042 -3.470 1.00 0.00 C ATOM 140 CG LEU A 12 4.580 -0.738 -4.256 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.501 0.141 -3.642 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.908 0.003 -4.308 1.00 0.00 C ATOM 0 H LEU A 12 3.797 -3.431 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 12 6.410 -3.088 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.737 -2.336 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.338 -1.848 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 12 4.283 -0.983 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.414 1.064 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.548 -0.388 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.767 0.377 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.787 0.928 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.235 0.235 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.655 -0.623 -4.796 1.00 0.00 H new ATOM 154 N LYS A 13 5.573 -4.633 -2.274 1.00 0.00 N ATOM 155 CA LYS A 13 5.372 -5.824 -1.458 1.00 0.00 C ATOM 156 C LYS A 13 4.641 -5.480 -0.164 1.00 0.00 C ATOM 157 O LYS A 13 5.042 -4.570 0.563 1.00 0.00 O ATOM 158 CB LYS A 13 6.717 -6.480 -1.137 1.00 0.00 C ATOM 159 CG LYS A 13 7.322 -7.232 -2.309 1.00 0.00 C ATOM 160 CD LYS A 13 6.564 -8.516 -2.601 1.00 0.00 C ATOM 161 CE LYS A 13 7.333 -9.412 -3.559 1.00 0.00 C ATOM 162 NZ LYS A 13 6.880 -10.828 -3.478 1.00 0.00 N ATOM 0 H LYS A 13 6.144 -3.912 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 13 4.759 -6.524 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.417 -5.712 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.586 -7.169 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.314 -6.595 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.365 -7.465 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.380 -9.051 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.590 -8.276 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.206 -9.048 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.398 -9.358 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.428 -11.407 -4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.025 -11.184 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.870 -10.884 -3.720 1.00 0.00 H new ATOM 176 N ILE A 14 3.568 -6.212 0.117 1.00 0.00 N ATOM 177 CA ILE A 14 2.784 -5.985 1.324 1.00 0.00 C ATOM 178 C ILE A 14 3.242 -6.897 2.457 1.00 0.00 C ATOM 179 O ILE A 14 3.414 -8.101 2.269 1.00 0.00 O ATOM 180 CB ILE A 14 1.282 -6.213 1.071 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.774 -5.261 -0.013 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.493 -6.027 2.359 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.904 -5.816 -1.414 1.00 0.00 C ATOM 0 H ILE A 14 3.222 -6.967 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 14 2.942 -4.946 1.612 1.00 0.00 H new ATOM 0 HB ILE A 14 1.139 -7.237 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.273 -5.028 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.326 -4.323 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.567 -6.191 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.840 -6.742 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.640 -5.014 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.524 -5.088 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.953 -6.023 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.329 -6.738 -1.495 1.00 0.00 H new ATOM 195 N LYS A 15 3.435 -6.315 3.636 1.00 0.00 N ATOM 196 CA LYS A 15 3.870 -7.075 4.802 1.00 0.00 C ATOM 197 C LYS A 15 3.300 -6.477 6.085 1.00 0.00 C ATOM 198 O LYS A 15 3.576 -5.325 6.420 1.00 0.00 O ATOM 199 CB LYS A 15 5.398 -7.105 4.877 1.00 0.00 C ATOM 200 CG LYS A 15 5.934 -7.843 6.091 1.00 0.00 C ATOM 201 CD LYS A 15 7.433 -7.647 6.246 1.00 0.00 C ATOM 202 CE LYS A 15 7.937 -8.224 7.560 1.00 0.00 C ATOM 203 NZ LYS A 15 8.121 -9.700 7.483 1.00 0.00 N ATOM 0 H LYS A 15 3.297 -5.319 3.809 1.00 0.00 H new ATOM 0 HA LYS A 15 3.497 -8.094 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.788 -7.576 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.773 -6.082 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.425 -7.488 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.713 -8.906 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.951 -8.125 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.669 -6.584 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.884 -7.753 7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.231 -7.987 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.465 -10.055 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.212 -10.152 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.814 -9.925 6.741 1.00 0.00 H new ATOM 217 N CYS A 16 2.505 -7.267 6.798 1.00 0.00 N ATOM 218 CA CYS A 16 1.896 -6.816 8.044 1.00 0.00 C ATOM 219 C CYS A 16 2.963 -6.385 9.045 1.00 0.00 C ATOM 220 O CYS A 16 3.927 -7.111 9.291 1.00 0.00 O ATOM 221 CB CYS A 16 1.033 -7.926 8.646 1.00 0.00 C ATOM 222 SG CYS A 16 -0.217 -7.338 9.812 1.00 0.00 S ATOM 0 H CYS A 16 2.267 -8.223 6.534 1.00 0.00 H new ATOM 0 HA CYS A 16 1.264 -5.956 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.537 -8.464 7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.681 -8.640 9.154 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.402 -7.590 9.341 1.00 0.00 H new ATOM 340 N ILE A 24 4.973 -12.735 2.688 1.00 0.00 N ATOM 341 CA ILE A 24 4.869 -11.469 1.972 1.00 0.00 C ATOM 342 C ILE A 24 4.267 -11.670 0.585 1.00 0.00 C ATOM 343 O ILE A 24 4.635 -12.599 -0.135 1.00 0.00 O ATOM 344 CB ILE A 24 6.243 -10.789 1.830 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.969 -10.770 3.176 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.081 -9.375 1.290 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.441 -10.440 3.064 1.00 0.00 C ATOM 0 HA ILE A 24 4.214 -10.826 2.560 1.00 0.00 H new ATOM 0 HB ILE A 24 6.843 -11.361 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.490 -10.040 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.859 -11.744 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.061 -8.907 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.600 -9.412 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.466 -8.792 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.891 -10.444 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.934 -11.184 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.560 -9.453 2.616 1.00 0.00 H new ATOM 359 N LEU A 25 3.341 -10.792 0.216 1.00 0.00 N ATOM 360 CA LEU A 25 2.689 -10.871 -1.087 1.00 0.00 C ATOM 361 C LEU A 25 2.994 -9.633 -1.924 1.00 0.00 C ATOM 362 O LEU A 25 3.595 -8.677 -1.438 1.00 0.00 O ATOM 363 CB LEU A 25 1.177 -11.025 -0.914 1.00 0.00 C ATOM 364 CG LEU A 25 0.716 -11.733 0.361 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.354 -13.109 0.467 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.046 -10.894 1.586 1.00 0.00 C ATOM 0 H LEU A 25 3.025 -10.018 0.800 1.00 0.00 H new ATOM 0 HA LEU A 25 3.079 -11.745 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.726 -10.033 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.787 -11.574 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.366 -11.859 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.015 -13.598 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.067 -13.711 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.439 -13.006 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.711 -11.413 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.123 -10.736 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.541 -9.931 1.514 1.00 0.00 H new ATOM 378 N GLU A 26 2.572 -9.659 -3.185 1.00 0.00 N ATOM 379 CA GLU A 26 2.799 -8.538 -4.089 1.00 0.00 C ATOM 380 C GLU A 26 1.498 -8.108 -4.760 1.00 0.00 C ATOM 381 O GLU A 26 0.779 -8.930 -5.330 1.00 0.00 O ATOM 382 CB GLU A 26 3.835 -8.912 -5.151 1.00 0.00 C ATOM 383 CG GLU A 26 4.125 -7.794 -6.139 1.00 0.00 C ATOM 384 CD GLU A 26 4.768 -8.297 -7.417 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.993 -8.538 -7.408 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.046 -8.450 -8.424 1.00 0.00 O ATOM 0 H GLU A 26 2.072 -10.444 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 26 3.178 -7.702 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.763 -9.198 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.483 -9.787 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.196 -7.279 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.782 -7.061 -5.670 1.00 0.00 H new ATOM 393 N LYS A 27 1.200 -6.815 -4.688 1.00 0.00 N ATOM 394 CA LYS A 27 -0.013 -6.274 -5.289 1.00 0.00 C ATOM 395 C LYS A 27 0.312 -5.106 -6.214 1.00 0.00 C ATOM 396 O LYS A 27 1.104 -4.230 -5.867 1.00 0.00 O ATOM 397 CB LYS A 27 -0.987 -5.820 -4.199 1.00 0.00 C ATOM 398 CG LYS A 27 -2.437 -5.799 -4.650 1.00 0.00 C ATOM 399 CD LYS A 27 -3.078 -7.171 -4.531 1.00 0.00 C ATOM 400 CE LYS A 27 -4.595 -7.087 -4.609 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.222 -8.435 -4.689 1.00 0.00 N ATOM 0 H LYS A 27 1.783 -6.122 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.479 -7.063 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.892 -6.483 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.705 -4.822 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.996 -5.082 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.492 -5.459 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.707 -7.817 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.786 -7.629 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.975 -6.561 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.882 -6.501 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.256 -8.334 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.879 -8.927 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.970 -8.986 -3.844 1.00 0.00 H new ATOM 415 N GLN A 28 -0.305 -5.100 -7.391 1.00 0.00 N ATOM 416 CA GLN A 28 -0.080 -4.038 -8.365 1.00 0.00 C ATOM 417 C GLN A 28 -1.247 -3.055 -8.378 1.00 0.00 C ATOM 418 O GLN A 28 -2.376 -3.420 -8.706 1.00 0.00 O ATOM 419 CB GLN A 28 0.117 -4.631 -9.761 1.00 0.00 C ATOM 420 CG GLN A 28 1.436 -5.368 -9.928 1.00 0.00 C ATOM 421 CD GLN A 28 1.690 -5.793 -11.361 1.00 0.00 C ATOM 422 OE1 GLN A 28 0.874 -6.487 -11.968 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.826 -5.378 -11.910 1.00 0.00 N ATOM 0 H GLN A 28 -0.964 -5.818 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 28 0.822 -3.499 -8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.703 -5.317 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.062 -3.830 -10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.251 -4.726 -9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.440 -6.249 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.474 -4.804 -11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.051 -5.633 -12.872 1.00 0.00 H new ATOM 432 N LEU A 29 -0.967 -1.808 -8.017 1.00 0.00 N ATOM 433 CA LEU A 29 -1.993 -0.772 -7.986 1.00 0.00 C ATOM 434 C LEU A 29 -1.509 0.495 -8.685 1.00 0.00 C ATOM 435 O LEU A 29 -0.326 0.835 -8.658 1.00 0.00 O ATOM 436 CB LEU A 29 -2.381 -0.454 -6.541 1.00 0.00 C ATOM 437 CG LEU A 29 -2.556 -1.656 -5.613 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.571 -2.632 -6.189 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.222 -2.348 -5.379 1.00 0.00 C ATOM 0 H LEU A 29 -0.038 -1.490 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.868 -1.146 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.619 0.199 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.314 0.110 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.930 -1.298 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.682 -3.481 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.532 -2.131 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.226 -2.984 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.366 -3.201 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.819 -2.692 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.524 -1.647 -4.922 1.00 0.00 H new ATOM 451 N PRO A 30 -2.444 1.211 -9.326 1.00 0.00 N ATOM 452 CA PRO A 30 -2.138 2.453 -10.042 1.00 0.00 C ATOM 453 C PRO A 30 -1.772 3.593 -9.097 1.00 0.00 C ATOM 454 O PRO A 30 -2.515 3.901 -8.164 1.00 0.00 O ATOM 455 CB PRO A 30 -3.441 2.768 -10.780 1.00 0.00 C ATOM 456 CG PRO A 30 -4.503 2.104 -9.974 1.00 0.00 C ATOM 457 CD PRO A 30 -3.874 0.865 -9.400 1.00 0.00 C ATOM 0 HA PRO A 30 -1.276 2.342 -10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.608 3.843 -10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.421 2.385 -11.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.861 2.762 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.364 1.853 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.281 0.626 -8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.045 -0.004 -10.036 1.00 0.00 H new ATOM 465 N ASP A 31 -0.625 4.215 -9.343 1.00 0.00 N ATOM 466 CA ASP A 31 -0.162 5.322 -8.514 1.00 0.00 C ATOM 467 C ASP A 31 -1.298 6.299 -8.229 1.00 0.00 C ATOM 468 O ASP A 31 -1.288 6.999 -7.217 1.00 0.00 O ATOM 469 CB ASP A 31 0.995 6.051 -9.200 1.00 0.00 C ATOM 470 CG ASP A 31 0.711 6.344 -10.660 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.384 6.864 -10.958 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.583 6.051 -11.504 1.00 0.00 O ATOM 0 H ASP A 31 0.002 3.972 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 31 0.188 4.913 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.192 6.986 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.898 5.446 -9.123 1.00 0.00 H new ATOM 477 N SER A 32 -2.275 6.342 -9.129 1.00 0.00 N ATOM 478 CA SER A 32 -3.416 7.237 -8.976 1.00 0.00 C ATOM 479 C SER A 32 -4.263 6.837 -7.772 1.00 0.00 C ATOM 480 O SER A 32 -4.747 7.690 -7.029 1.00 0.00 O ATOM 481 CB SER A 32 -4.273 7.225 -10.244 1.00 0.00 C ATOM 482 OG SER A 32 -5.024 8.421 -10.362 1.00 0.00 O ATOM 0 H SER A 32 -2.299 5.768 -9.972 1.00 0.00 H new ATOM 0 HA SER A 32 -3.036 8.245 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.633 7.106 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.947 6.369 -10.223 1.00 0.00 H new ATOM 0 HG SER A 32 -5.562 8.390 -11.181 1.00 0.00 H new ATOM 488 N MET A 33 -4.438 5.532 -7.586 1.00 0.00 N ATOM 489 CA MET A 33 -5.225 5.018 -6.472 1.00 0.00 C ATOM 490 C MET A 33 -4.961 5.822 -5.203 1.00 0.00 C ATOM 491 O MET A 33 -3.813 6.126 -4.875 1.00 0.00 O ATOM 492 CB MET A 33 -4.904 3.542 -6.231 1.00 0.00 C ATOM 493 CG MET A 33 -5.979 2.806 -5.448 1.00 0.00 C ATOM 494 SD MET A 33 -5.441 1.178 -4.891 1.00 0.00 S ATOM 495 CE MET A 33 -6.809 0.162 -5.443 1.00 0.00 C ATOM 0 H MET A 33 -4.045 4.812 -8.193 1.00 0.00 H new ATOM 0 HA MET A 33 -6.280 5.115 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.764 3.048 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.959 3.467 -5.693 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.267 3.404 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.867 2.697 -6.071 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.857 -0.744 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 33 -7.741 0.718 -5.338 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.663 -0.107 -6.489 1.00 0.00 H new ATOM 505 N THR A 34 -6.030 6.165 -4.491 1.00 0.00 N ATOM 506 CA THR A 34 -5.914 6.935 -3.259 1.00 0.00 C ATOM 507 C THR A 34 -5.677 6.023 -2.061 1.00 0.00 C ATOM 508 O THR A 34 -6.361 5.013 -1.892 1.00 0.00 O ATOM 509 CB THR A 34 -7.175 7.781 -3.004 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.343 6.957 -3.086 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.278 8.916 -4.012 1.00 0.00 C ATOM 0 H THR A 34 -6.987 5.921 -4.747 1.00 0.00 H new ATOM 0 HA THR A 34 -5.059 7.599 -3.381 1.00 0.00 H new ATOM 0 HB THR A 34 -7.102 8.209 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.140 7.502 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.176 9.500 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.402 9.558 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.330 8.504 -5.020 1.00 0.00 H new ATOM 519 N VAL A 35 -4.705 6.385 -1.230 1.00 0.00 N ATOM 520 CA VAL A 35 -4.379 5.599 -0.046 1.00 0.00 C ATOM 521 C VAL A 35 -5.636 5.012 0.587 1.00 0.00 C ATOM 522 O VAL A 35 -5.604 3.921 1.156 1.00 0.00 O ATOM 523 CB VAL A 35 -3.638 6.448 1.004 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.686 5.773 2.367 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.200 6.693 0.572 1.00 0.00 C ATOM 0 H VAL A 35 -4.129 7.218 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.728 4.789 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.139 7.413 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.157 6.387 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.724 5.654 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.211 4.794 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.691 7.294 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.686 5.738 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.191 7.222 -0.381 1.00 0.00 H new ATOM 535 N GLN A 36 -6.741 5.743 0.482 1.00 0.00 N ATOM 536 CA GLN A 36 -8.010 5.294 1.045 1.00 0.00 C ATOM 537 C GLN A 36 -8.453 3.981 0.407 1.00 0.00 C ATOM 538 O GLN A 36 -8.780 3.019 1.103 1.00 0.00 O ATOM 539 CB GLN A 36 -9.087 6.361 0.845 1.00 0.00 C ATOM 540 CG GLN A 36 -10.150 6.363 1.931 1.00 0.00 C ATOM 541 CD GLN A 36 -11.163 7.477 1.754 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.073 8.522 2.401 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.134 7.261 0.875 1.00 0.00 N ATOM 0 H GLN A 36 -6.784 6.648 0.013 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.867 5.129 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.613 7.342 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.567 6.205 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.667 5.403 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.670 6.465 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.170 6.381 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.844 7.975 0.714 1.00 0.00 H new ATOM 552 N LYS A 37 -8.463 3.948 -0.921 1.00 0.00 N ATOM 553 CA LYS A 37 -8.866 2.753 -1.654 1.00 0.00 C ATOM 554 C LYS A 37 -8.030 1.549 -1.232 1.00 0.00 C ATOM 555 O LYS A 37 -8.565 0.475 -0.957 1.00 0.00 O ATOM 556 CB LYS A 37 -8.725 2.983 -3.160 1.00 0.00 C ATOM 557 CG LYS A 37 -9.875 3.769 -3.765 1.00 0.00 C ATOM 558 CD LYS A 37 -10.000 3.516 -5.258 1.00 0.00 C ATOM 559 CE LYS A 37 -11.033 4.433 -5.895 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.529 5.828 -6.028 1.00 0.00 N ATOM 0 H LYS A 37 -8.197 4.735 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.911 2.548 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.792 3.513 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.652 2.018 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.806 3.493 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.722 4.834 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.032 3.669 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.280 2.477 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.302 4.049 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.941 4.431 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.204 6.389 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.424 6.251 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.606 5.819 -6.508 1.00 0.00 H new ATOM 574 N VAL A 38 -6.715 1.735 -1.183 1.00 0.00 N ATOM 575 CA VAL A 38 -5.805 0.664 -0.792 1.00 0.00 C ATOM 576 C VAL A 38 -6.188 0.086 0.565 1.00 0.00 C ATOM 577 O VAL A 38 -6.115 -1.124 0.780 1.00 0.00 O ATOM 578 CB VAL A 38 -4.348 1.159 -0.735 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.411 0.018 -0.369 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.946 1.786 -2.061 1.00 0.00 C ATOM 0 H VAL A 38 -6.256 2.617 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.887 -0.114 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.272 1.923 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.386 0.386 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.687 -0.381 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.488 -0.770 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.913 2.130 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.037 1.046 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.599 2.632 -2.276 1.00 0.00 H new ATOM 590 N LYS A 39 -6.598 0.958 1.480 1.00 0.00 N ATOM 591 CA LYS A 39 -6.995 0.536 2.818 1.00 0.00 C ATOM 592 C LYS A 39 -8.345 -0.174 2.786 1.00 0.00 C ATOM 593 O LYS A 39 -8.562 -1.148 3.505 1.00 0.00 O ATOM 594 CB LYS A 39 -7.063 1.742 3.757 1.00 0.00 C ATOM 595 CG LYS A 39 -5.705 2.347 4.069 1.00 0.00 C ATOM 596 CD LYS A 39 -5.840 3.674 4.798 1.00 0.00 C ATOM 597 CE LYS A 39 -4.493 4.174 5.298 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.645 5.180 6.386 1.00 0.00 N ATOM 0 H LYS A 39 -6.664 1.963 1.319 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.245 -0.163 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.697 2.506 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.540 1.440 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.128 1.653 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.150 2.494 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.279 4.415 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.523 3.560 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.905 3.331 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.939 4.616 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.777 5.748 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.450 5.803 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.814 4.692 7.289 1.00 0.00 H new ATOM 612 N GLY A 40 -9.249 0.321 1.946 1.00 0.00 N ATOM 613 CA GLY A 40 -10.565 -0.279 1.835 1.00 0.00 C ATOM 614 C GLY A 40 -10.529 -1.636 1.160 1.00 0.00 C ATOM 615 O GLY A 40 -11.369 -2.495 1.432 1.00 0.00 O ATOM 0 H GLY A 40 -9.093 1.127 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.999 -0.383 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.218 0.387 1.271 1.00 0.00 H new ATOM 619 N LEU A 41 -9.556 -1.830 0.277 1.00 0.00 N ATOM 620 CA LEU A 41 -9.415 -3.092 -0.441 1.00 0.00 C ATOM 621 C LEU A 41 -8.974 -4.208 0.502 1.00 0.00 C ATOM 622 O LEU A 41 -9.492 -5.324 0.444 1.00 0.00 O ATOM 623 CB LEU A 41 -8.405 -2.943 -1.580 1.00 0.00 C ATOM 624 CG LEU A 41 -7.878 -4.245 -2.185 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.805 -4.735 -3.287 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.466 -4.052 -2.719 1.00 0.00 C ATOM 0 H LEU A 41 -8.853 -1.130 0.041 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.387 -3.356 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.868 -2.358 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.556 -2.367 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.848 -5.002 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.414 -5.662 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.798 -4.913 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.868 -3.981 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.107 -4.989 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.471 -3.281 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.808 -3.748 -1.905 1.00 0.00 H new ATOM 638 N LEU A 42 -8.018 -3.899 1.370 1.00 0.00 N ATOM 639 CA LEU A 42 -7.508 -4.875 2.327 1.00 0.00 C ATOM 640 C LEU A 42 -8.413 -4.959 3.552 1.00 0.00 C ATOM 641 O LEU A 42 -8.435 -5.971 4.252 1.00 0.00 O ATOM 642 CB LEU A 42 -6.086 -4.506 2.754 1.00 0.00 C ATOM 643 CG LEU A 42 -5.043 -4.452 1.637 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.943 -3.461 1.982 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.459 -5.835 1.386 1.00 0.00 C ATOM 0 H LEU A 42 -7.580 -2.980 1.431 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.493 -5.850 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.116 -3.532 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.753 -5.228 3.500 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.533 -4.115 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.210 -3.436 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.375 -2.468 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.455 -3.767 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.719 -5.778 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.984 -6.200 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.256 -6.519 1.093 1.00 0.00 H new ATOM 657 N SER A 43 -9.160 -3.889 3.804 1.00 0.00 N ATOM 658 CA SER A 43 -10.067 -3.841 4.946 1.00 0.00 C ATOM 659 C SER A 43 -10.943 -5.089 4.996 1.00 0.00 C ATOM 660 O SER A 43 -11.124 -5.691 6.055 1.00 0.00 O ATOM 661 CB SER A 43 -10.945 -2.590 4.875 1.00 0.00 C ATOM 662 OG SER A 43 -12.173 -2.790 5.552 1.00 0.00 O ATOM 0 H SER A 43 -9.155 -3.044 3.233 1.00 0.00 H new ATOM 0 HA SER A 43 -9.466 -3.803 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.416 -1.745 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.138 -2.336 3.833 1.00 0.00 H new ATOM 0 HG SER A 43 -12.003 -2.907 6.510 1.00 0.00 H new ATOM 668 N ARG A 44 -11.484 -5.471 3.845 1.00 0.00 N ATOM 669 CA ARG A 44 -12.343 -6.646 3.757 1.00 0.00 C ATOM 670 C ARG A 44 -11.526 -7.928 3.894 1.00 0.00 C ATOM 671 O ARG A 44 -12.058 -8.982 4.245 1.00 0.00 O ATOM 672 CB ARG A 44 -13.101 -6.652 2.428 1.00 0.00 C ATOM 673 CG ARG A 44 -14.183 -5.589 2.340 1.00 0.00 C ATOM 674 CD ARG A 44 -15.514 -6.104 2.864 1.00 0.00 C ATOM 675 NE ARG A 44 -15.640 -5.925 4.308 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.621 -6.453 5.032 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.557 -7.188 4.448 1.00 0.00 N ATOM 678 NH2 ARG A 44 -16.667 -6.245 6.341 1.00 0.00 N ATOM 0 H ARG A 44 -11.343 -4.984 2.960 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.060 -6.603 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.391 -6.504 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.554 -7.633 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.880 -4.712 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.298 -5.270 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.328 -5.581 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.615 -7.161 2.620 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.936 -5.364 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.525 -7.349 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.309 -7.593 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.949 -5.679 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.421 -6.651 6.896 1.00 0.00 H new ATOM 692 N LEU A 45 -10.231 -7.831 3.615 1.00 0.00 N ATOM 693 CA LEU A 45 -9.340 -8.982 3.707 1.00 0.00 C ATOM 694 C LEU A 45 -9.008 -9.299 5.161 1.00 0.00 C ATOM 695 O LEU A 45 -9.358 -10.365 5.671 1.00 0.00 O ATOM 696 CB LEU A 45 -8.052 -8.718 2.924 1.00 0.00 C ATOM 697 CG LEU A 45 -8.202 -8.590 1.408 1.00 0.00 C ATOM 698 CD1 LEU A 45 -6.914 -8.072 0.786 1.00 0.00 C ATOM 699 CD2 LEU A 45 -8.593 -9.927 0.795 1.00 0.00 C ATOM 0 H LEU A 45 -9.774 -6.967 3.323 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.852 -9.842 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.602 -7.801 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.352 -9.527 3.133 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.996 -7.873 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.040 -7.987 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.677 -7.093 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.101 -8.764 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.695 -9.816 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.822 -10.666 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.542 -10.257 1.217 1.00 0.00 H new ATOM 711 N LEU A 46 -8.335 -8.367 5.826 1.00 0.00 N ATOM 712 CA LEU A 46 -7.958 -8.546 7.224 1.00 0.00 C ATOM 713 C LEU A 46 -9.109 -8.170 8.151 1.00 0.00 C ATOM 714 O LEU A 46 -8.923 -8.008 9.357 1.00 0.00 O ATOM 715 CB LEU A 46 -6.726 -7.701 7.553 1.00 0.00 C ATOM 716 CG LEU A 46 -5.449 -8.049 6.787 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.510 -6.854 6.743 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.759 -9.249 7.419 1.00 0.00 C ATOM 0 H LEU A 46 -8.039 -7.479 5.420 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.721 -9.599 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.966 -6.655 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.522 -7.792 8.620 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.721 -8.308 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.607 -7.121 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.005 -6.021 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.244 -6.563 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.852 -9.483 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.500 -9.017 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.430 -10.108 7.397 1.00 0.00 H new ATOM 730 N LYS A 47 -10.301 -8.034 7.580 1.00 0.00 N ATOM 731 CA LYS A 47 -11.485 -7.680 8.354 1.00 0.00 C ATOM 732 C LYS A 47 -11.215 -6.466 9.237 1.00 0.00 C ATOM 733 O LYS A 47 -11.777 -6.340 10.326 1.00 0.00 O ATOM 734 CB LYS A 47 -11.928 -8.864 9.217 1.00 0.00 C ATOM 735 CG LYS A 47 -12.263 -10.110 8.415 1.00 0.00 C ATOM 736 CD LYS A 47 -11.040 -10.990 8.218 1.00 0.00 C ATOM 737 CE LYS A 47 -10.871 -11.974 9.366 1.00 0.00 C ATOM 738 NZ LYS A 47 -10.113 -13.187 8.951 1.00 0.00 N ATOM 0 H LYS A 47 -10.473 -8.164 6.583 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.283 -7.429 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.136 -9.101 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.802 -8.571 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.041 -10.676 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.666 -9.822 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.131 -11.536 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.150 -10.366 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.351 -11.485 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.852 -12.269 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.020 -13.832 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.622 -13.668 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.167 -12.909 8.619 1.00 0.00 H new ATOM 752 N VAL A 48 -10.353 -5.574 8.761 1.00 0.00 N ATOM 753 CA VAL A 48 -10.010 -4.368 9.506 1.00 0.00 C ATOM 754 C VAL A 48 -10.571 -3.124 8.827 1.00 0.00 C ATOM 755 O VAL A 48 -10.507 -2.970 7.608 1.00 0.00 O ATOM 756 CB VAL A 48 -8.485 -4.215 9.655 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.153 -3.058 10.586 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.866 -5.510 10.159 1.00 0.00 C ATOM 0 H VAL A 48 -9.879 -5.663 7.862 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.456 -4.470 10.495 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.062 -3.995 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.071 -2.965 10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.563 -2.134 10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.587 -3.245 11.568 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.788 -5.383 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.293 -5.764 11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.073 -6.312 9.451 1.00 0.00 H new ATOM 768 N PRO A 49 -11.136 -2.213 9.634 1.00 0.00 N ATOM 769 CA PRO A 49 -11.719 -0.965 9.133 1.00 0.00 C ATOM 770 C PRO A 49 -10.660 0.004 8.619 1.00 0.00 C ATOM 771 O PRO A 49 -9.648 0.240 9.278 1.00 0.00 O ATOM 772 CB PRO A 49 -12.423 -0.385 10.362 1.00 0.00 C ATOM 773 CG PRO A 49 -11.692 -0.960 11.525 1.00 0.00 C ATOM 774 CD PRO A 49 -11.248 -2.332 11.098 1.00 0.00 C ATOM 0 HA PRO A 49 -12.383 -1.136 8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.379 0.704 10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.477 -0.661 10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.837 -0.339 11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.336 -1.014 12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.296 -2.606 11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.971 -3.096 11.385 1.00 0.00 H new ATOM 782 N VAL A 50 -10.901 0.563 7.437 1.00 0.00 N ATOM 783 CA VAL A 50 -9.968 1.508 6.834 1.00 0.00 C ATOM 784 C VAL A 50 -9.466 2.515 7.862 1.00 0.00 C ATOM 785 O VAL A 50 -8.394 3.100 7.702 1.00 0.00 O ATOM 786 CB VAL A 50 -10.618 2.268 5.662 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.737 3.428 5.224 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.887 1.324 4.500 1.00 0.00 C ATOM 0 H VAL A 50 -11.734 0.378 6.878 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.126 0.926 6.458 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.572 2.674 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.212 3.953 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.600 4.116 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.767 3.048 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.346 1.877 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.948 0.887 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.560 0.530 4.824 1.00 0.00 H new ATOM 798 N SER A 51 -10.247 2.714 8.919 1.00 0.00 N ATOM 799 CA SER A 51 -9.883 3.653 9.973 1.00 0.00 C ATOM 800 C SER A 51 -8.707 3.126 10.790 1.00 0.00 C ATOM 801 O SER A 51 -7.773 3.864 11.100 1.00 0.00 O ATOM 802 CB SER A 51 -11.080 3.913 10.890 1.00 0.00 C ATOM 803 OG SER A 51 -10.949 5.154 11.561 1.00 0.00 O ATOM 0 H SER A 51 -11.136 2.237 9.068 1.00 0.00 H new ATOM 0 HA SER A 51 -9.584 4.590 9.502 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.999 3.908 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.164 3.108 11.620 1.00 0.00 H new ATOM 0 HG SER A 51 -11.727 5.297 12.139 1.00 0.00 H new ATOM 809 N GLU A 52 -8.762 1.843 11.134 1.00 0.00 N ATOM 810 CA GLU A 52 -7.702 1.216 11.915 1.00 0.00 C ATOM 811 C GLU A 52 -6.599 0.682 11.005 1.00 0.00 C ATOM 812 O GLU A 52 -5.674 0.009 11.461 1.00 0.00 O ATOM 813 CB GLU A 52 -8.271 0.079 12.767 1.00 0.00 C ATOM 814 CG GLU A 52 -9.282 0.541 13.802 1.00 0.00 C ATOM 815 CD GLU A 52 -9.554 -0.509 14.861 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.716 -1.692 14.495 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.606 -0.148 16.055 1.00 0.00 O ATOM 0 H GLU A 52 -9.529 1.218 10.884 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.273 1.973 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.743 -0.653 12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.451 -0.429 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.916 1.449 14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.216 0.798 13.302 1.00 0.00 H new ATOM 824 N LEU A 53 -6.705 0.986 9.716 1.00 0.00 N ATOM 825 CA LEU A 53 -5.717 0.537 8.741 1.00 0.00 C ATOM 826 C LEU A 53 -4.704 1.639 8.446 1.00 0.00 C ATOM 827 O LEU A 53 -4.917 2.473 7.565 1.00 0.00 O ATOM 828 CB LEU A 53 -6.409 0.105 7.447 1.00 0.00 C ATOM 829 CG LEU A 53 -6.863 -1.354 7.384 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.422 -1.680 6.008 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.712 -2.286 7.729 1.00 0.00 C ATOM 0 H LEU A 53 -7.465 1.541 9.322 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.186 -0.316 9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.280 0.743 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.729 0.289 6.616 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.655 -1.500 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.740 -2.722 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.276 -1.035 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.652 -1.517 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.054 -3.320 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.898 -2.138 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.358 -2.069 8.737 1.00 0.00 H new ATOM 843 N LEU A 54 -3.600 1.634 9.186 1.00 0.00 N ATOM 844 CA LEU A 54 -2.552 2.631 9.002 1.00 0.00 C ATOM 845 C LEU A 54 -1.492 2.134 8.023 1.00 0.00 C ATOM 846 O LEU A 54 -0.678 1.272 8.358 1.00 0.00 O ATOM 847 CB LEU A 54 -1.902 2.971 10.345 1.00 0.00 C ATOM 848 CG LEU A 54 -2.861 3.315 11.485 1.00 0.00 C ATOM 849 CD1 LEU A 54 -3.717 4.518 11.118 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.737 2.119 11.826 1.00 0.00 C ATOM 0 H LEU A 54 -3.408 0.951 9.919 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.009 3.530 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.290 2.124 10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.228 3.814 10.197 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.271 3.570 12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.393 4.748 11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.074 5.377 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.298 4.292 10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.413 2.383 12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.318 1.832 10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.108 1.283 12.134 1.00 0.00 H new ATOM 862 N LEU A 55 -1.507 2.683 6.814 1.00 0.00 N ATOM 863 CA LEU A 55 -0.546 2.297 5.787 1.00 0.00 C ATOM 864 C LEU A 55 0.728 3.129 5.893 1.00 0.00 C ATOM 865 O LEU A 55 0.674 4.353 6.015 1.00 0.00 O ATOM 866 CB LEU A 55 -1.162 2.463 4.396 1.00 0.00 C ATOM 867 CG LEU A 55 -1.780 1.206 3.782 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.727 0.122 3.613 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.932 0.704 4.639 1.00 0.00 C ATOM 0 H LEU A 55 -2.174 3.397 6.521 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.288 1.249 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.932 3.233 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.390 2.832 3.720 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.171 1.461 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.185 -0.765 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.065 0.483 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.305 -0.130 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.359 -0.191 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.566 0.466 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.698 1.477 4.708 1.00 0.00 H new ATOM 881 N SER A 56 1.873 2.456 5.843 1.00 0.00 N ATOM 882 CA SER A 56 3.162 3.133 5.936 1.00 0.00 C ATOM 883 C SER A 56 4.159 2.539 4.945 1.00 0.00 C ATOM 884 O SER A 56 4.454 1.344 4.985 1.00 0.00 O ATOM 885 CB SER A 56 3.715 3.030 7.358 1.00 0.00 C ATOM 886 OG SER A 56 3.774 1.680 7.786 1.00 0.00 O ATOM 0 H SER A 56 1.935 1.443 5.739 1.00 0.00 H new ATOM 0 HA SER A 56 3.012 4.184 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.711 3.471 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.086 3.603 8.039 1.00 0.00 H new ATOM 0 HG SER A 56 4.132 1.641 8.697 1.00 0.00 H new ATOM 892 N TYR A 57 4.676 3.382 4.059 1.00 0.00 N ATOM 893 CA TYR A 57 5.639 2.942 3.056 1.00 0.00 C ATOM 894 C TYR A 57 7.062 3.303 3.472 1.00 0.00 C ATOM 895 O TYR A 57 7.295 4.343 4.087 1.00 0.00 O ATOM 896 CB TYR A 57 5.317 3.571 1.699 1.00 0.00 C ATOM 897 CG TYR A 57 6.004 4.898 1.469 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.677 6.013 2.231 1.00 0.00 C ATOM 899 CD2 TYR A 57 6.978 5.038 0.488 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.301 7.228 2.024 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.608 6.248 0.275 1.00 0.00 C ATOM 902 CZ TYR A 57 7.266 7.340 1.045 1.00 0.00 C ATOM 903 OH TYR A 57 7.891 8.548 0.834 1.00 0.00 O ATOM 0 H TYR A 57 4.445 4.374 4.014 1.00 0.00 H new ATOM 0 HA TYR A 57 5.568 1.858 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.608 2.879 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.239 3.711 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.922 5.928 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.247 4.186 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.035 8.085 2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.364 6.339 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 57 7.322 9.117 0.275 1.00 0.00 H new ATOM 913 N GLU A 58 8.009 2.435 3.129 1.00 0.00 N ATOM 914 CA GLU A 58 9.409 2.662 3.467 1.00 0.00 C ATOM 915 C GLU A 58 10.177 3.207 2.266 1.00 0.00 C ATOM 916 O GLU A 58 10.356 2.515 1.264 1.00 0.00 O ATOM 917 CB GLU A 58 10.056 1.364 3.953 1.00 0.00 C ATOM 918 CG GLU A 58 11.333 1.580 4.749 1.00 0.00 C ATOM 919 CD GLU A 58 12.168 0.320 4.866 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.663 -0.677 5.424 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.327 0.331 4.400 1.00 0.00 O ATOM 0 H GLU A 58 7.832 1.570 2.618 1.00 0.00 H new ATOM 0 HA GLU A 58 9.448 3.401 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.341 0.821 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.277 0.734 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.926 2.361 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.079 1.937 5.747 1.00 0.00 H new ATOM 928 N SER A 59 10.629 4.452 2.375 1.00 0.00 N ATOM 929 CA SER A 59 11.373 5.093 1.298 1.00 0.00 C ATOM 930 C SER A 59 12.806 4.572 1.243 1.00 0.00 C ATOM 931 O SER A 59 13.577 4.742 2.188 1.00 0.00 O ATOM 932 CB SER A 59 11.378 6.611 1.484 1.00 0.00 C ATOM 933 OG SER A 59 11.787 6.963 2.795 1.00 0.00 O ATOM 0 H SER A 59 10.493 5.037 3.199 1.00 0.00 H new ATOM 0 HA SER A 59 10.880 4.852 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.048 7.068 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.381 7.007 1.292 1.00 0.00 H new ATOM 0 HG SER A 59 12.493 6.352 3.092 1.00 0.00 H new ATOM 939 N SER A 60 13.157 3.937 0.129 1.00 0.00 N ATOM 940 CA SER A 60 14.495 3.387 -0.049 1.00 0.00 C ATOM 941 C SER A 60 15.559 4.427 0.290 1.00 0.00 C ATOM 942 O SER A 60 16.400 4.211 1.162 1.00 0.00 O ATOM 943 CB SER A 60 14.682 2.899 -1.486 1.00 0.00 C ATOM 944 OG SER A 60 15.964 2.323 -1.667 1.00 0.00 O ATOM 0 H SER A 60 12.532 3.791 -0.664 1.00 0.00 H new ATOM 0 HA SER A 60 14.607 2.542 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.913 2.165 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.554 3.733 -2.176 1.00 0.00 H new ATOM 0 HG SER A 60 16.058 2.017 -2.593 1.00 0.00 H new ATOM 950 N LYS A 61 15.515 5.557 -0.408 1.00 0.00 N ATOM 951 CA LYS A 61 16.473 6.633 -0.183 1.00 0.00 C ATOM 952 C LYS A 61 16.748 6.814 1.306 1.00 0.00 C ATOM 953 O LYS A 61 17.888 7.035 1.714 1.00 0.00 O ATOM 954 CB LYS A 61 15.950 7.942 -0.779 1.00 0.00 C ATOM 955 CG LYS A 61 14.669 8.436 -0.130 1.00 0.00 C ATOM 956 CD LYS A 61 13.873 9.325 -1.072 1.00 0.00 C ATOM 957 CE LYS A 61 12.391 9.315 -0.729 1.00 0.00 C ATOM 958 NZ LYS A 61 11.624 10.284 -1.559 1.00 0.00 N ATOM 0 H LYS A 61 14.826 5.751 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 61 17.407 6.364 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.718 8.709 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.776 7.802 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.059 7.583 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.910 8.990 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.253 10.345 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.012 8.986 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.990 8.312 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.261 9.557 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.619 10.247 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.989 11.244 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.727 10.038 -2.564 1.00 0.00 H new ATOM 972 N MET A 62 15.697 6.718 2.114 1.00 0.00 N ATOM 973 CA MET A 62 15.827 6.868 3.558 1.00 0.00 C ATOM 974 C MET A 62 15.431 5.582 4.277 1.00 0.00 C ATOM 975 O MET A 62 14.284 5.400 4.686 1.00 0.00 O ATOM 976 CB MET A 62 14.961 8.029 4.052 1.00 0.00 C ATOM 977 CG MET A 62 15.509 8.710 5.295 1.00 0.00 C ATOM 978 SD MET A 62 16.917 9.780 4.939 1.00 0.00 S ATOM 979 CE MET A 62 16.146 11.394 5.026 1.00 0.00 C ATOM 0 H MET A 62 14.746 6.537 1.793 1.00 0.00 H new ATOM 0 HA MET A 62 16.872 7.082 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 62 14.868 8.767 3.255 1.00 0.00 H new ATOM 0 HB3 MET A 62 13.958 7.659 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.719 9.299 5.760 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.808 7.951 6.018 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.891 12.164 4.828 1.00 0.00 H new ATOM 0 HE2 MET A 62 15.351 11.458 4.283 1.00 0.00 H new ATOM 0 HE3 MET A 62 15.726 11.543 6.021 1.00 0.00 H new ATOM 989 N PRO A 63 16.400 4.669 4.435 1.00 0.00 N ATOM 990 CA PRO A 63 16.175 3.384 5.105 1.00 0.00 C ATOM 991 C PRO A 63 15.946 3.544 6.604 1.00 0.00 C ATOM 992 O PRO A 63 16.296 4.568 7.189 1.00 0.00 O ATOM 993 CB PRO A 63 17.472 2.615 4.841 1.00 0.00 C ATOM 994 CG PRO A 63 18.502 3.670 4.631 1.00 0.00 C ATOM 995 CD PRO A 63 17.790 4.820 3.973 1.00 0.00 C ATOM 0 HA PRO A 63 15.282 2.881 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.730 1.972 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.380 1.972 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.945 3.976 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.314 3.303 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.212 5.779 4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.860 4.768 2.887 1.00 0.00 H new ATOM 1003 N GLY A 64 15.357 2.524 7.220 1.00 0.00 N ATOM 1004 CA GLY A 64 15.092 2.572 8.646 1.00 0.00 C ATOM 1005 C GLY A 64 14.168 3.712 9.026 1.00 0.00 C ATOM 1006 O GLY A 64 14.276 4.270 10.119 1.00 0.00 O ATOM 0 H GLY A 64 15.059 1.665 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.648 1.628 8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.034 2.677 9.184 1.00 0.00 H new ATOM 1010 N ARG A 65 13.258 4.060 8.123 1.00 0.00 N ATOM 1011 CA ARG A 65 12.313 5.143 8.368 1.00 0.00 C ATOM 1012 C ARG A 65 11.028 4.933 7.573 1.00 0.00 C ATOM 1013 O ARG A 65 11.053 4.849 6.346 1.00 0.00 O ATOM 1014 CB ARG A 65 12.940 6.488 7.999 1.00 0.00 C ATOM 1015 CG ARG A 65 12.085 7.685 8.385 1.00 0.00 C ATOM 1016 CD ARG A 65 12.600 8.966 7.747 1.00 0.00 C ATOM 1017 NE ARG A 65 13.792 9.472 8.421 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.785 9.971 9.651 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.653 10.030 10.339 1.00 0.00 N ATOM 1020 NH2 ARG A 65 14.911 10.412 10.197 1.00 0.00 N ATOM 0 H ARG A 65 13.155 3.608 7.215 1.00 0.00 H new ATOM 0 HA ARG A 65 12.067 5.144 9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.911 6.573 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.121 6.513 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.054 7.512 8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.078 7.794 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.828 8.782 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.818 9.725 7.775 1.00 0.00 H new ATOM 0 HE ARG A 65 14.679 9.440 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.785 9.692 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.650 10.414 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.784 10.368 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.904 10.795 11.142 1.00 0.00 H new ATOM 1034 N GLU A 66 9.906 4.850 8.282 1.00 0.00 N ATOM 1035 CA GLU A 66 8.611 4.649 7.642 1.00 0.00 C ATOM 1036 C GLU A 66 7.761 5.913 7.726 1.00 0.00 C ATOM 1037 O GLU A 66 7.832 6.658 8.704 1.00 0.00 O ATOM 1038 CB GLU A 66 7.872 3.479 8.293 1.00 0.00 C ATOM 1039 CG GLU A 66 8.539 2.134 8.063 1.00 0.00 C ATOM 1040 CD GLU A 66 9.616 1.834 9.088 1.00 0.00 C ATOM 1041 OE1 GLU A 66 10.166 2.795 9.668 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.909 0.641 9.311 1.00 0.00 O ATOM 0 H GLU A 66 9.868 4.919 9.299 1.00 0.00 H new ATOM 0 HA GLU A 66 8.785 4.419 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.797 3.659 9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.854 3.442 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.784 1.348 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.977 2.116 7.065 1.00 0.00 H new ATOM 1049 N ILE A 67 6.957 6.149 6.694 1.00 0.00 N ATOM 1050 CA ILE A 67 6.092 7.321 6.652 1.00 0.00 C ATOM 1051 C ILE A 67 4.628 6.931 6.824 1.00 0.00 C ATOM 1052 O ILE A 67 4.026 6.334 5.933 1.00 0.00 O ATOM 1053 CB ILE A 67 6.254 8.092 5.329 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.702 8.559 5.158 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.302 9.278 5.286 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.599 7.523 4.517 1.00 0.00 C ATOM 0 H ILE A 67 6.887 5.544 5.876 1.00 0.00 H new ATOM 0 HA ILE A 67 6.393 7.965 7.478 1.00 0.00 H new ATOM 0 HB ILE A 67 6.008 7.423 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.714 9.464 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.107 8.825 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.429 9.813 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.275 8.923 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.520 9.949 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.609 7.922 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.617 6.625 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.218 7.274 3.527 1.00 0.00 H new ATOM 1068 N GLU A 68 4.062 7.276 7.977 1.00 0.00 N ATOM 1069 CA GLU A 68 2.667 6.962 8.265 1.00 0.00 C ATOM 1070 C GLU A 68 1.730 7.832 7.431 1.00 0.00 C ATOM 1071 O GLU A 68 1.589 9.030 7.681 1.00 0.00 O ATOM 1072 CB GLU A 68 2.374 7.160 9.754 1.00 0.00 C ATOM 1073 CG GLU A 68 3.079 8.363 10.358 1.00 0.00 C ATOM 1074 CD GLU A 68 2.454 8.809 11.666 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.232 9.064 11.684 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.189 8.902 12.672 1.00 0.00 O ATOM 0 H GLU A 68 4.547 7.772 8.725 1.00 0.00 H new ATOM 0 HA GLU A 68 2.494 5.918 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.299 7.272 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.673 6.264 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.128 8.119 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.054 9.189 9.647 1.00 0.00 H new ATOM 1083 N LEU A 69 1.093 7.221 6.439 1.00 0.00 N ATOM 1084 CA LEU A 69 0.169 7.938 5.566 1.00 0.00 C ATOM 1085 C LEU A 69 -1.125 8.272 6.301 1.00 0.00 C ATOM 1086 O LEU A 69 -1.989 7.413 6.477 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.138 7.104 4.321 1.00 0.00 C ATOM 1088 CG LEU A 69 1.062 6.438 3.646 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.598 5.453 2.585 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.981 7.487 3.037 1.00 0.00 C ATOM 0 H LEU A 69 1.199 6.231 6.218 1.00 0.00 H new ATOM 0 HA LEU A 69 0.644 8.871 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.852 6.328 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.630 7.746 3.590 1.00 0.00 H new ATOM 0 HG LEU A 69 1.622 5.889 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.465 4.989 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.019 4.683 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.015 5.980 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.829 6.995 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.432 8.064 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.341 8.154 3.820 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.253 9.525 6.724 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.443 9.972 7.438 1.00 0.00 C ATOM 1104 C GLU A 70 -3.524 10.428 6.462 1.00 0.00 C ATOM 1105 O GLU A 70 -4.715 10.362 6.763 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.092 11.112 8.396 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.410 12.289 7.719 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.141 13.436 8.674 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -2.107 13.933 9.290 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.034 13.836 8.805 1.00 0.00 O ATOM 0 H GLU A 70 -0.548 10.249 6.585 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.828 9.130 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.004 11.461 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.440 10.728 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.468 11.956 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.034 12.643 6.899 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.098 10.892 5.291 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.029 11.361 4.271 1.00 0.00 C ATOM 1119 C ASN A 71 -4.451 10.217 3.354 1.00 0.00 C ATOM 1120 O ASN A 71 -3.612 9.550 2.749 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.392 12.482 3.447 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.475 13.828 4.139 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.824 14.055 5.159 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.280 14.728 3.588 1.00 0.00 N ATOM 0 H ASN A 71 -2.115 10.953 5.025 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.916 11.747 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.347 12.239 3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.888 12.544 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.378 15.651 4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.801 14.496 2.742 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.758 9.998 3.255 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.293 8.936 2.410 1.00 0.00 C ATOM 1133 C ASP A 72 -6.680 9.477 1.037 1.00 0.00 C ATOM 1134 O ASP A 72 -6.520 8.797 0.023 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.507 8.288 3.078 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.298 8.058 4.562 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.787 8.976 5.237 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.645 6.961 5.047 1.00 0.00 O ATOM 0 H ASP A 72 -6.466 10.541 3.749 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.516 8.183 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.381 8.923 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.720 7.336 2.592 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.190 10.703 1.013 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.602 11.336 -0.236 1.00 0.00 C ATOM 1145 C LEU A 73 -6.400 11.589 -1.140 1.00 0.00 C ATOM 1146 O LEU A 73 -6.552 12.000 -2.290 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.325 12.653 0.051 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.575 12.556 0.926 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.091 13.943 1.276 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.655 11.744 0.225 1.00 0.00 C ATOM 0 H LEU A 73 -7.328 11.279 1.843 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.284 10.659 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.622 13.333 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.606 13.105 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.308 12.046 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.981 13.854 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.321 14.491 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.341 14.480 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.537 11.685 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.919 12.226 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.283 10.739 0.027 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.206 11.338 -0.612 1.00 0.00 N ATOM 1163 CA GLN A 74 -3.978 11.538 -1.373 1.00 0.00 C ATOM 1164 C GLN A 74 -3.525 10.237 -2.026 1.00 0.00 C ATOM 1165 O GLN A 74 -3.552 9.166 -1.419 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.872 12.078 -0.464 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.109 13.507 -0.002 1.00 0.00 C ATOM 1168 CD GLN A 74 -2.996 14.512 -1.131 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -4.028 15.330 -1.301 1.00 0.00 O flip ATOM 1170 NE2 GLN A 74 -1.992 14.554 -1.842 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.063 10.996 0.338 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.181 12.266 -2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.783 11.432 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.921 12.029 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.100 13.580 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.388 13.758 0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.222 13.906 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.930 15.237 -2.597 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.099 10.328 -3.295 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.632 9.167 -4.059 1.00 0.00 C ATOM 1181 C PRO A 75 -1.298 8.634 -3.546 1.00 0.00 C ATOM 1182 O PRO A 75 -0.715 9.186 -2.611 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.477 9.716 -5.479 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.250 11.177 -5.298 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.039 11.572 -4.081 1.00 0.00 C ATOM 0 HA PRO A 75 -3.322 8.326 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.640 9.246 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.368 9.525 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.190 11.393 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.580 11.735 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.550 12.374 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.034 11.929 -4.346 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.819 7.560 -4.162 1.00 0.00 N ATOM 1194 CA LEU A 76 0.447 6.952 -3.768 1.00 0.00 C ATOM 1195 C LEU A 76 1.627 7.778 -4.270 1.00 0.00 C ATOM 1196 O LEU A 76 2.669 7.848 -3.620 1.00 0.00 O ATOM 1197 CB LEU A 76 0.542 5.525 -4.311 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.347 4.486 -3.625 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.056 4.436 -2.133 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.816 4.793 -3.874 1.00 0.00 C ATOM 0 H LEU A 76 -1.288 7.091 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 76 0.484 6.923 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.293 5.544 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.578 5.196 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.124 3.508 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.698 3.691 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.988 4.167 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.250 5.414 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.433 4.044 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.054 5.780 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.015 4.776 -4.946 1.00 0.00 H new ATOM 1212 N GLN A 77 1.454 8.404 -5.430 1.00 0.00 N ATOM 1213 CA GLN A 77 2.504 9.227 -6.018 1.00 0.00 C ATOM 1214 C GLN A 77 2.759 10.470 -5.173 1.00 0.00 C ATOM 1215 O GLN A 77 3.820 11.089 -5.264 1.00 0.00 O ATOM 1216 CB GLN A 77 2.125 9.633 -7.443 1.00 0.00 C ATOM 1217 CG GLN A 77 1.017 10.672 -7.505 1.00 0.00 C ATOM 1218 CD GLN A 77 0.889 11.307 -8.875 1.00 0.00 C ATOM 1219 OE1 GLN A 77 0.764 10.614 -9.885 1.00 0.00 O ATOM 1220 NE2 GLN A 77 0.920 12.634 -8.918 1.00 0.00 N ATOM 0 H GLN A 77 0.597 8.357 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 77 3.420 8.637 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.008 10.025 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.811 8.746 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.070 10.204 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.211 11.449 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.025 13.170 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.839 13.117 -9.813 1.00 0.00 H new ATOM 1229 N PHE A 78 1.780 10.831 -4.350 1.00 0.00 N ATOM 1230 CA PHE A 78 1.897 12.002 -3.489 1.00 0.00 C ATOM 1231 C PHE A 78 2.956 11.781 -2.412 1.00 0.00 C ATOM 1232 O PHE A 78 3.569 12.731 -1.925 1.00 0.00 O ATOM 1233 CB PHE A 78 0.550 12.320 -2.838 1.00 0.00 C ATOM 1234 CG PHE A 78 0.646 13.314 -1.716 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.948 14.642 -1.972 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.433 12.921 -0.405 1.00 0.00 C ATOM 1237 CE1 PHE A 78 1.038 15.558 -0.942 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.521 13.832 0.631 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.823 15.153 0.361 1.00 0.00 C ATOM 0 H PHE A 78 0.896 10.329 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 78 2.202 12.847 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.129 12.706 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.112 11.397 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.115 14.965 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.195 11.890 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.276 16.590 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.354 13.512 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.891 15.868 1.168 1.00 0.00 H new ATOM 1249 N TYR A 79 3.163 10.522 -2.045 1.00 0.00 N ATOM 1250 CA TYR A 79 4.145 10.175 -1.024 1.00 0.00 C ATOM 1251 C TYR A 79 5.449 9.703 -1.660 1.00 0.00 C ATOM 1252 O TYR A 79 6.218 8.962 -1.047 1.00 0.00 O ATOM 1253 CB TYR A 79 3.590 9.087 -0.102 1.00 0.00 C ATOM 1254 CG TYR A 79 2.487 9.572 0.811 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.778 10.108 2.060 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.155 9.496 0.426 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.774 10.552 2.898 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.144 9.938 1.257 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.458 10.465 2.492 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.545 10.907 3.324 1.00 0.00 O ATOM 0 H TYR A 79 2.664 9.724 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 79 4.352 11.069 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.212 8.265 -0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.403 8.687 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.807 10.178 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.905 9.084 -0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.017 10.965 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.887 9.871 0.941 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.208 11.638 3.883 1.00 0.00 H new ATOM 1270 N SER A 80 5.690 10.137 -2.892 1.00 0.00 N ATOM 1271 CA SER A 80 6.899 9.757 -3.614 1.00 0.00 C ATOM 1272 C SER A 80 7.063 8.240 -3.638 1.00 0.00 C ATOM 1273 O SER A 80 8.175 7.723 -3.532 1.00 0.00 O ATOM 1274 CB SER A 80 8.127 10.405 -2.971 1.00 0.00 C ATOM 1275 OG SER A 80 9.156 10.604 -3.924 1.00 0.00 O ATOM 0 H SER A 80 5.064 10.752 -3.412 1.00 0.00 H new ATOM 0 HA SER A 80 6.806 10.111 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.848 11.361 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.494 9.773 -2.162 1.00 0.00 H new ATOM 0 HG SER A 80 9.929 11.021 -3.489 1.00 0.00 H new ATOM 1281 N VAL A 81 5.947 7.533 -3.777 1.00 0.00 N ATOM 1282 CA VAL A 81 5.965 6.075 -3.816 1.00 0.00 C ATOM 1283 C VAL A 81 6.145 5.566 -5.241 1.00 0.00 C ATOM 1284 O VAL A 81 5.315 5.823 -6.112 1.00 0.00 O ATOM 1285 CB VAL A 81 4.670 5.482 -3.230 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.682 3.964 -3.337 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.490 5.921 -1.785 1.00 0.00 C ATOM 0 H VAL A 81 5.018 7.946 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 81 6.811 5.752 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 81 3.825 5.857 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.759 3.562 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.761 3.674 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.534 3.567 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.570 5.493 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.337 5.577 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.434 7.009 -1.739 1.00 0.00 H new ATOM 1297 N GLU A 82 7.236 4.841 -5.472 1.00 0.00 N ATOM 1298 CA GLU A 82 7.524 4.296 -6.793 1.00 0.00 C ATOM 1299 C GLU A 82 7.797 2.796 -6.715 1.00 0.00 C ATOM 1300 O GLU A 82 8.220 2.285 -5.679 1.00 0.00 O ATOM 1301 CB GLU A 82 8.725 5.012 -7.414 1.00 0.00 C ATOM 1302 CG GLU A 82 8.463 6.474 -7.734 1.00 0.00 C ATOM 1303 CD GLU A 82 9.425 7.026 -8.768 1.00 0.00 C ATOM 1304 OE1 GLU A 82 9.551 6.414 -9.849 1.00 0.00 O ATOM 1305 OE2 GLU A 82 10.052 8.072 -8.495 1.00 0.00 O ATOM 0 H GLU A 82 7.934 4.618 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 82 6.649 4.457 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.571 4.944 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.013 4.494 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.441 6.585 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.542 7.062 -6.820 1.00 0.00 H new ATOM 1312 N ASN A 83 7.551 2.098 -7.818 1.00 0.00 N ATOM 1313 CA ASN A 83 7.769 0.657 -7.875 1.00 0.00 C ATOM 1314 C ASN A 83 9.030 0.267 -7.110 1.00 0.00 C ATOM 1315 O ASN A 83 10.021 0.995 -7.113 1.00 0.00 O ATOM 1316 CB ASN A 83 7.878 0.193 -9.329 1.00 0.00 C ATOM 1317 CG ASN A 83 8.677 1.157 -10.185 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.008 2.176 -10.711 1.00 0.00 O flip ATOM 1319 ND2 ASN A 83 9.882 0.986 -10.370 1.00 0.00 N flip ATOM 0 H ASN A 83 7.201 2.506 -8.685 1.00 0.00 H new ATOM 0 HA ASN A 83 6.915 0.167 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.347 -0.790 -9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.878 0.082 -9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.355 0.188 -9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.407 1.642 -10.948 1.00 0.00 H new ATOM 1326 N GLY A 84 8.984 -0.889 -6.454 1.00 0.00 N ATOM 1327 CA GLY A 84 10.128 -1.357 -5.694 1.00 0.00 C ATOM 1328 C GLY A 84 9.976 -1.110 -4.206 1.00 0.00 C ATOM 1329 O GLY A 84 10.501 -1.865 -3.387 1.00 0.00 O ATOM 0 H GLY A 84 8.175 -1.509 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.265 -2.424 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.028 -0.857 -6.052 1.00 0.00 H new ATOM 1333 N ASP A 85 9.258 -0.049 -3.855 1.00 0.00 N ATOM 1334 CA ASP A 85 9.039 0.297 -2.455 1.00 0.00 C ATOM 1335 C ASP A 85 8.423 -0.874 -1.696 1.00 0.00 C ATOM 1336 O ASP A 85 8.149 -1.926 -2.275 1.00 0.00 O ATOM 1337 CB ASP A 85 8.132 1.524 -2.347 1.00 0.00 C ATOM 1338 CG ASP A 85 8.375 2.313 -1.075 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.847 1.910 -0.018 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.093 3.333 -1.137 1.00 0.00 O ATOM 0 H ASP A 85 8.818 0.586 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 85 10.006 0.528 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.296 2.171 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.090 1.206 -2.381 1.00 0.00 H new ATOM 1345 N CYS A 86 8.210 -0.685 -0.399 1.00 0.00 N ATOM 1346 CA CYS A 86 7.629 -1.727 0.441 1.00 0.00 C ATOM 1347 C CYS A 86 6.400 -1.207 1.179 1.00 0.00 C ATOM 1348 O CYS A 86 6.444 -0.152 1.813 1.00 0.00 O ATOM 1349 CB CYS A 86 8.663 -2.239 1.444 1.00 0.00 C ATOM 1350 SG CYS A 86 10.031 -3.152 0.692 1.00 0.00 S ATOM 0 H CYS A 86 8.431 0.180 0.094 1.00 0.00 H new ATOM 0 HA CYS A 86 7.322 -2.550 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.067 -1.392 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.164 -2.884 2.167 1.00 0.00 H new ATOM 0 HG CYS A 86 10.854 -3.542 1.620 1.00 0.00 H new ATOM 1356 N LEU A 87 5.304 -1.953 1.093 1.00 0.00 N ATOM 1357 CA LEU A 87 4.062 -1.567 1.752 1.00 0.00 C ATOM 1358 C LEU A 87 3.941 -2.233 3.119 1.00 0.00 C ATOM 1359 O LEU A 87 4.153 -3.439 3.255 1.00 0.00 O ATOM 1360 CB LEU A 87 2.861 -1.943 0.881 1.00 0.00 C ATOM 1361 CG LEU A 87 2.748 -1.212 -0.457 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.577 -1.752 -1.263 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.600 0.286 -0.236 1.00 0.00 C ATOM 0 H LEU A 87 5.251 -2.829 0.573 1.00 0.00 H new ATOM 0 HA LEU A 87 4.076 -0.486 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.901 -3.014 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.951 -1.757 1.452 1.00 0.00 H new ATOM 0 HG LEU A 87 3.663 -1.387 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.512 -1.220 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.725 -2.815 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.653 -1.609 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.521 0.790 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.702 0.480 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.471 0.663 0.300 1.00 0.00 H new ATOM 1375 N LEU A 88 3.597 -1.441 4.128 1.00 0.00 N ATOM 1376 CA LEU A 88 3.445 -1.953 5.486 1.00 0.00 C ATOM 1377 C LEU A 88 2.039 -1.688 6.014 1.00 0.00 C ATOM 1378 O LEU A 88 1.637 -0.538 6.187 1.00 0.00 O ATOM 1379 CB LEU A 88 4.480 -1.313 6.412 1.00 0.00 C ATOM 1380 CG LEU A 88 5.941 -1.449 5.983 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.781 -0.333 6.585 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.492 -2.809 6.386 1.00 0.00 C ATOM 0 H LEU A 88 3.418 -0.441 4.032 1.00 0.00 H new ATOM 0 HA LEU A 88 3.606 -3.031 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.247 -0.252 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.371 -1.752 7.404 1.00 0.00 H new ATOM 0 HG LEU A 88 5.989 -1.367 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.818 -0.447 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.402 0.631 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.726 -0.383 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.533 -2.887 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.430 -2.921 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.908 -3.595 5.906 1.00 0.00 H new ATOM 1394 N VAL A 89 1.297 -2.760 6.271 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.063 -2.644 6.783 1.00 0.00 C ATOM 1396 C VAL A 89 -0.098 -2.823 8.297 1.00 0.00 C ATOM 1397 O VAL A 89 0.121 -3.922 8.807 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.998 -3.680 6.133 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.402 -3.569 6.709 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -1.018 -3.506 4.622 1.00 0.00 C ATOM 0 H VAL A 89 1.615 -3.719 6.133 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.411 -1.643 6.530 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.617 -4.677 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.048 -4.309 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.370 -3.748 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.795 -2.570 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.684 -4.247 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.373 -2.505 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.011 -3.641 4.227 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.375 -1.736 9.010 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.437 -1.773 10.466 1.00 0.00 C ATOM 1412 C ARG A 90 -1.806 -1.317 10.963 1.00 0.00 C ATOM 1413 O ARG A 90 -2.401 -0.392 10.410 1.00 0.00 O ATOM 1414 CB ARG A 90 0.656 -0.889 11.067 1.00 0.00 C ATOM 1415 CG ARG A 90 0.894 -1.137 12.548 1.00 0.00 C ATOM 1416 CD ARG A 90 -0.034 -0.296 13.410 1.00 0.00 C ATOM 1417 NE ARG A 90 0.499 -0.094 14.754 1.00 0.00 N ATOM 1418 CZ ARG A 90 1.600 0.604 15.011 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.280 1.164 14.020 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.022 0.743 16.261 1.00 0.00 N ATOM 0 H ARG A 90 -0.560 -0.819 8.603 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.278 -2.803 10.786 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.587 -1.057 10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.387 0.157 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.741 -2.193 12.770 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.930 -0.906 12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.193 0.672 12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.007 -0.782 13.476 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.001 -0.512 15.539 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.958 1.059 13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.125 1.699 14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.501 0.314 17.026 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.867 1.279 16.457 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.299 -1.972 12.007 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.598 -1.634 12.578 1.00 0.00 C ATOM 1436 C TRP A 91 -3.614 -1.886 14.082 1.00 0.00 C ATOM 1437 O TRP A 91 -3.028 -2.856 14.564 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.702 -2.446 11.901 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.661 -3.906 12.241 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.179 -4.503 13.355 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.067 -4.950 11.463 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.943 -5.856 13.315 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.264 -6.156 12.165 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.391 -4.986 10.240 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.807 -7.380 11.684 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -2.937 -6.201 9.765 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.147 -7.385 10.485 1.00 0.00 C ATOM 0 H TRP A 91 -1.819 -2.740 12.476 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.778 -0.573 12.404 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.671 -2.040 12.191 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.618 -2.330 10.820 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.698 -3.988 14.150 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.228 -6.528 14.027 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.227 -4.080 9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.968 -8.293 12.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.411 -6.239 8.822 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.781 -8.319 10.086 1.00 0.00 H new