USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 41 MET CE :methyl 178:sc= -3.34! (180deg=-3.04!) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -0.396 USER MOD Set 2.1: A 28 MET CE :methyl -125:sc= -29.9! (180deg=-29!) USER MOD Set 2.2: A 80 MET CE :methyl 151:sc= -9.48! (180deg=-8.81!) USER MOD Set 3.1: A 21 MET CE :methyl -134:sc= -1.72 (180deg=-7.38!) USER MOD Set 3.2: A 76 TYR OH : rot -26:sc= -8.92! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -110:sc= -0.215 USER MOD Single : A 22 SER OG : rot 41:sc= -11.3! USER MOD Single : A 29 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0091) USER MOD Single : A 33 SER OG : rot -103:sc= 1.01 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -3.54! C(o=-3.5!,f=-6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -49:sc= 0.07 USER MOD Single : A 63 HIS : no HE2:sc= -11.5! C(o=-11!,f=-11!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 104:sc= 1.09 USER MOD Single : A 79 SER OG : rot -108:sc= 0.404 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -3.26! (180deg=-4.6!) USER MOD Single : A 83 HIS : no HD1:sc= -7.19! C(o=-7.2!,f=-15!) USER MOD Single : A 88 HIS : no HE2:sc= -7.62! C(o=-7.6!,f=-10!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 91 ASN : amide:sc= -0.49 K(o=-0.49,f=-5.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 11:sc= 0.38 USER MOD Single : A 96 SER OG : rot 15:sc= 1.1 USER MOD Single : A 98 GLN : amide:sc= -0.302 K(o=-0.3,f=-0.83) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.0248 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -15:sc= -3.53! USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 5.048 10.916 -5.431 1.00 0.00 N ATOM 28 CA PRO A 14 6.341 10.755 -4.802 1.00 0.00 C ATOM 29 C PRO A 14 6.772 9.298 -4.887 1.00 0.00 C ATOM 30 O PRO A 14 7.850 8.939 -4.419 1.00 0.00 O ATOM 31 CB PRO A 14 6.125 11.179 -3.351 1.00 0.00 C ATOM 32 CG PRO A 14 4.661 10.816 -3.106 1.00 0.00 C ATOM 33 CD PRO A 14 4.008 11.136 -4.449 1.00 0.00 C ATOM 0 HA PRO A 14 7.123 11.346 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.792 10.649 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.307 12.244 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.543 9.766 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.228 11.402 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.148 10.492 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.648 12.165 -4.478 1.00 0.00 H new ATOM 41 N LEU A 15 5.925 8.457 -5.485 1.00 0.00 N ATOM 42 CA LEU A 15 6.220 7.045 -5.626 1.00 0.00 C ATOM 43 C LEU A 15 5.967 6.606 -7.061 1.00 0.00 C ATOM 44 O LEU A 15 5.320 7.317 -7.826 1.00 0.00 O ATOM 45 CB LEU A 15 5.356 6.245 -4.656 1.00 0.00 C ATOM 46 CG LEU A 15 5.258 6.992 -3.328 1.00 0.00 C ATOM 47 CD1 LEU A 15 4.315 6.242 -2.391 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.642 7.083 -2.693 1.00 0.00 C ATOM 0 H LEU A 15 5.027 8.739 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 15 7.269 6.864 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.361 6.096 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.787 5.256 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 15 4.872 7.996 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.245 6.775 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.326 6.177 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.700 5.237 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.573 7.616 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.028 6.079 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.315 7.619 -3.362 1.00 0.00 H new ATOM 60 N THR A 16 6.480 5.428 -7.427 1.00 0.00 N ATOM 61 CA THR A 16 6.304 4.904 -8.766 1.00 0.00 C ATOM 62 C THR A 16 6.133 3.393 -8.713 1.00 0.00 C ATOM 63 O THR A 16 5.244 2.843 -9.360 1.00 0.00 O ATOM 64 CB THR A 16 7.510 5.282 -9.621 1.00 0.00 C ATOM 65 OG1 THR A 16 8.040 6.508 -9.170 1.00 0.00 O ATOM 66 CG2 THR A 16 7.078 5.420 -11.078 1.00 0.00 C ATOM 0 H THR A 16 7.020 4.825 -6.807 1.00 0.00 H new ATOM 0 HA THR A 16 5.408 5.334 -9.213 1.00 0.00 H new ATOM 0 HB THR A 16 8.270 4.505 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.816 6.750 -9.718 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.939 5.690 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.668 4.472 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.317 6.196 -11.160 1.00 0.00 H new ATOM 74 N VAL A 17 6.988 2.721 -7.939 1.00 0.00 N ATOM 75 CA VAL A 17 6.929 1.280 -7.805 1.00 0.00 C ATOM 76 C VAL A 17 8.239 0.762 -7.227 1.00 0.00 C ATOM 77 O VAL A 17 8.246 -0.207 -6.473 1.00 0.00 O ATOM 78 CB VAL A 17 6.654 0.653 -9.169 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.585 -0.537 -9.379 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.204 0.182 -9.228 1.00 0.00 C ATOM 0 H VAL A 17 7.730 3.163 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 17 6.122 1.007 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 17 6.828 1.392 -9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.389 -0.985 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.621 -0.201 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.411 -1.277 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.006 -0.266 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.029 -0.557 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.539 1.032 -9.078 1.00 0.00 H new ATOM 90 N LYS A 18 9.349 1.413 -7.584 1.00 0.00 N ATOM 91 CA LYS A 18 10.655 1.014 -7.100 1.00 0.00 C ATOM 92 C LYS A 18 11.038 1.856 -5.890 1.00 0.00 C ATOM 93 O LYS A 18 12.199 1.878 -5.489 1.00 0.00 O ATOM 94 CB LYS A 18 11.682 1.177 -8.217 1.00 0.00 C ATOM 95 CG LYS A 18 11.404 0.154 -9.315 1.00 0.00 C ATOM 96 CD LYS A 18 12.619 -0.754 -9.485 1.00 0.00 C ATOM 97 CE LYS A 18 12.163 -2.209 -9.546 1.00 0.00 C ATOM 98 NZ LYS A 18 13.275 -3.096 -9.920 1.00 0.00 N ATOM 0 H LYS A 18 9.360 2.219 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 18 10.629 -0.032 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.635 2.187 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.689 1.039 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.526 -0.440 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.183 0.663 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.157 -0.492 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.311 -0.613 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.764 -2.509 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.354 -2.310 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.938 -4.079 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.638 -2.822 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.036 -3.015 -9.215 1.00 0.00 H new ATOM 112 N SER A 19 10.056 2.549 -5.310 1.00 0.00 N ATOM 113 CA SER A 19 10.294 3.386 -4.151 1.00 0.00 C ATOM 114 C SER A 19 10.579 2.515 -2.935 1.00 0.00 C ATOM 115 O SER A 19 10.003 1.439 -2.791 1.00 0.00 O ATOM 116 CB SER A 19 9.078 4.274 -3.907 1.00 0.00 C ATOM 117 OG SER A 19 9.027 5.282 -4.892 1.00 0.00 O ATOM 0 H SER A 19 9.088 2.541 -5.632 1.00 0.00 H new ATOM 0 HA SER A 19 11.161 4.022 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.167 3.677 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.135 4.722 -2.915 1.00 0.00 H new ATOM 0 HG SER A 19 9.230 6.149 -4.483 1.00 0.00 H new ATOM 123 N ASP A 20 11.469 2.984 -2.058 1.00 0.00 N ATOM 124 CA ASP A 20 11.825 2.248 -0.862 1.00 0.00 C ATOM 125 C ASP A 20 10.583 1.595 -0.271 1.00 0.00 C ATOM 126 O ASP A 20 9.645 2.284 0.122 1.00 0.00 O ATOM 127 CB ASP A 20 12.468 3.197 0.146 1.00 0.00 C ATOM 128 CG ASP A 20 13.982 3.204 -0.004 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.457 3.885 -0.939 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.637 2.528 0.819 1.00 0.00 O ATOM 0 H ASP A 20 11.954 3.875 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 20 12.541 1.465 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.080 4.205 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.200 2.894 1.158 1.00 0.00 H new ATOM 136 N MET A 21 10.579 0.262 -0.209 1.00 0.00 N ATOM 137 CA MET A 21 9.452 -0.473 0.330 1.00 0.00 C ATOM 138 C MET A 21 8.999 0.160 1.638 1.00 0.00 C ATOM 139 O MET A 21 7.803 0.278 1.892 1.00 0.00 O ATOM 140 CB MET A 21 9.853 -1.929 0.547 1.00 0.00 C ATOM 141 CG MET A 21 9.402 -2.764 -0.648 1.00 0.00 C ATOM 142 SD MET A 21 10.675 -2.982 -1.916 1.00 0.00 S ATOM 143 CE MET A 21 10.534 -1.380 -2.746 1.00 0.00 C ATOM 0 H MET A 21 11.350 -0.325 -0.528 1.00 0.00 H new ATOM 0 HA MET A 21 8.621 -0.438 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.933 -2.005 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.400 -2.310 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.085 -3.745 -0.294 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.530 -2.291 -1.100 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.517 -1.530 -3.826 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.613 -0.888 -2.434 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.387 -0.756 -2.479 1.00 0.00 H new ATOM 153 N SER A 22 9.961 0.569 2.469 1.00 0.00 N ATOM 154 CA SER A 22 9.657 1.189 3.743 1.00 0.00 C ATOM 155 C SER A 22 9.000 2.543 3.515 1.00 0.00 C ATOM 156 O SER A 22 8.179 2.980 4.319 1.00 0.00 O ATOM 157 CB SER A 22 10.941 1.340 4.554 1.00 0.00 C ATOM 158 OG SER A 22 10.693 0.988 5.896 1.00 0.00 O ATOM 0 H SER A 22 10.958 0.478 2.273 1.00 0.00 H new ATOM 0 HA SER A 22 8.963 0.561 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.723 0.704 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.301 2.367 4.497 1.00 0.00 H new ATOM 0 HG SER A 22 10.113 0.199 5.925 1.00 0.00 H new ATOM 164 N ALA A 23 9.363 3.206 2.415 1.00 0.00 N ATOM 165 CA ALA A 23 8.809 4.504 2.087 1.00 0.00 C ATOM 166 C ALA A 23 7.358 4.351 1.655 1.00 0.00 C ATOM 167 O ALA A 23 6.528 5.211 1.942 1.00 0.00 O ATOM 168 CB ALA A 23 9.639 5.145 0.979 1.00 0.00 C ATOM 0 H ALA A 23 10.042 2.856 1.739 1.00 0.00 H new ATOM 0 HA ALA A 23 8.839 5.149 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.223 6.122 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.668 5.264 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.620 4.508 0.095 1.00 0.00 H new ATOM 174 N ILE A 24 7.053 3.252 0.961 1.00 0.00 N ATOM 175 CA ILE A 24 5.706 2.990 0.493 1.00 0.00 C ATOM 176 C ILE A 24 4.792 2.723 1.680 1.00 0.00 C ATOM 177 O ILE A 24 3.787 3.408 1.858 1.00 0.00 O ATOM 178 CB ILE A 24 5.722 1.796 -0.458 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.537 2.145 -1.700 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.293 1.453 -0.866 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.990 3.426 -2.323 1.00 0.00 C ATOM 0 H ILE A 24 7.731 2.531 0.714 1.00 0.00 H new ATOM 0 HA ILE A 24 5.327 3.859 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 24 6.173 0.939 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.586 2.276 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.490 1.328 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.303 0.601 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.711 1.203 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.842 2.310 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.572 3.676 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.947 3.278 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.060 4.240 -1.602 1.00 0.00 H new ATOM 193 N VAL A 25 5.142 1.724 2.494 1.00 0.00 N ATOM 194 CA VAL A 25 4.354 1.373 3.658 1.00 0.00 C ATOM 195 C VAL A 25 4.160 2.599 4.538 1.00 0.00 C ATOM 196 O VAL A 25 3.079 2.810 5.083 1.00 0.00 O ATOM 197 CB VAL A 25 5.055 0.259 4.429 1.00 0.00 C ATOM 198 CG1 VAL A 25 5.991 0.869 5.468 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.013 -0.608 5.131 1.00 0.00 C ATOM 0 H VAL A 25 5.972 1.147 2.360 1.00 0.00 H new ATOM 0 HA VAL A 25 3.373 1.017 3.344 1.00 0.00 H new ATOM 0 HB VAL A 25 5.631 -0.354 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.492 0.073 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.736 1.488 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.415 1.483 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.514 -1.404 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.436 0.005 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.344 -1.045 4.390 1.00 0.00 H new ATOM 209 N ARG A 26 5.212 3.410 4.675 1.00 0.00 N ATOM 210 CA ARG A 26 5.154 4.608 5.487 1.00 0.00 C ATOM 211 C ARG A 26 4.043 5.518 4.984 1.00 0.00 C ATOM 212 O ARG A 26 3.198 5.958 5.760 1.00 0.00 O ATOM 213 CB ARG A 26 6.502 5.322 5.437 1.00 0.00 C ATOM 214 CG ARG A 26 7.206 5.175 6.782 1.00 0.00 C ATOM 215 CD ARG A 26 7.592 3.714 6.998 1.00 0.00 C ATOM 216 NE ARG A 26 7.430 3.329 8.400 1.00 0.00 N ATOM 217 CZ ARG A 26 8.231 3.783 9.374 1.00 0.00 C ATOM 218 NH1 ARG A 26 9.230 4.626 9.082 1.00 0.00 N ATOM 219 NH2 ARG A 26 8.032 3.392 10.641 1.00 0.00 N ATOM 0 H ARG A 26 6.115 3.249 4.228 1.00 0.00 H new ATOM 0 HA ARG A 26 4.938 4.341 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.119 4.901 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.358 6.377 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.095 5.805 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.551 5.512 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.974 3.074 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.627 3.559 6.692 1.00 0.00 H new ATOM 0 HE ARG A 26 6.676 2.688 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.382 4.923 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.839 4.971 9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.272 2.750 10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.641 3.737 11.383 1.00 0.00 H new ATOM 233 N VAL A 27 4.046 5.800 3.679 1.00 0.00 N ATOM 234 CA VAL A 27 3.041 6.655 3.079 1.00 0.00 C ATOM 235 C VAL A 27 1.652 6.143 3.433 1.00 0.00 C ATOM 236 O VAL A 27 0.866 6.854 4.055 1.00 0.00 O ATOM 237 CB VAL A 27 3.237 6.685 1.566 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.273 7.693 0.947 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.673 7.093 1.247 1.00 0.00 C ATOM 0 H VAL A 27 4.740 5.443 3.022 1.00 0.00 H new ATOM 0 HA VAL A 27 3.143 7.669 3.465 1.00 0.00 H new ATOM 0 HB VAL A 27 3.040 5.695 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.413 7.714 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.247 7.402 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.469 8.683 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.814 7.115 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.870 8.083 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.362 6.373 1.688 1.00 0.00 H new ATOM 249 N MET A 28 1.350 4.905 3.034 1.00 0.00 N ATOM 250 CA MET A 28 0.058 4.309 3.311 1.00 0.00 C ATOM 251 C MET A 28 -0.314 4.533 4.770 1.00 0.00 C ATOM 252 O MET A 28 -1.472 4.798 5.084 1.00 0.00 O ATOM 253 CB MET A 28 0.108 2.818 2.989 1.00 0.00 C ATOM 254 CG MET A 28 0.604 2.622 1.559 1.00 0.00 C ATOM 255 SD MET A 28 0.001 1.107 0.774 1.00 0.00 S ATOM 256 CE MET A 28 0.850 -0.113 1.808 1.00 0.00 C ATOM 0 H MET A 28 1.990 4.302 2.517 1.00 0.00 H new ATOM 0 HA MET A 28 -0.703 4.778 2.688 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.770 2.306 3.688 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.882 2.377 3.106 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.297 3.478 0.958 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.694 2.609 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.434 -0.782 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.514 0.399 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.114 -0.691 2.367 1.00 0.00 H new ATOM 266 N GLN A 29 0.674 4.426 5.662 1.00 0.00 N ATOM 267 CA GLN A 29 0.446 4.616 7.080 1.00 0.00 C ATOM 268 C GLN A 29 -0.080 6.021 7.335 1.00 0.00 C ATOM 269 O GLN A 29 -1.047 6.201 8.071 1.00 0.00 O ATOM 270 CB GLN A 29 1.748 4.380 7.839 1.00 0.00 C ATOM 271 CG GLN A 29 1.766 2.957 8.391 1.00 0.00 C ATOM 272 CD GLN A 29 3.109 2.641 9.034 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.704 1.603 8.753 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.585 3.540 9.899 1.00 0.00 N ATOM 0 H GLN A 29 1.640 4.208 5.417 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.299 3.902 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.600 4.535 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.842 5.098 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.970 2.837 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.567 2.248 7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.053 4.387 10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.481 3.380 10.360 1.00 0.00 H new ATOM 283 N LEU A 30 0.561 7.020 6.723 1.00 0.00 N ATOM 284 CA LEU A 30 0.156 8.402 6.885 1.00 0.00 C ATOM 285 C LEU A 30 -1.352 8.522 6.716 1.00 0.00 C ATOM 286 O LEU A 30 -1.921 7.958 5.784 1.00 0.00 O ATOM 287 CB LEU A 30 0.885 9.269 5.862 1.00 0.00 C ATOM 288 CG LEU A 30 2.387 9.209 6.124 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.134 9.835 4.950 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.712 9.977 7.402 1.00 0.00 C ATOM 0 H LEU A 30 1.365 6.887 6.110 1.00 0.00 H new ATOM 0 HA LEU A 30 0.418 8.746 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.667 8.921 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.534 10.299 5.926 1.00 0.00 H new ATOM 0 HG LEU A 30 2.694 8.169 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.207 9.792 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.903 9.286 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.827 10.875 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.785 9.934 7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.404 11.017 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.179 9.529 8.241 1.00 0.00 H new ATOM 302 N PRO A 31 -1.999 9.260 7.621 1.00 0.00 N ATOM 303 CA PRO A 31 -3.428 9.487 7.618 1.00 0.00 C ATOM 304 C PRO A 31 -3.793 10.432 6.482 1.00 0.00 C ATOM 305 O PRO A 31 -4.959 10.780 6.312 1.00 0.00 O ATOM 306 CB PRO A 31 -3.727 10.120 8.975 1.00 0.00 C ATOM 307 CG PRO A 31 -2.433 10.868 9.291 1.00 0.00 C ATOM 308 CD PRO A 31 -1.361 9.937 8.729 1.00 0.00 C ATOM 0 HA PRO A 31 -4.002 8.573 7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.583 10.794 8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.955 9.368 9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.406 11.849 8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.309 11.028 10.362 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.486 10.496 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.020 9.227 9.482 1.00 0.00 H new ATOM 316 N ASP A 32 -2.791 10.849 5.705 1.00 0.00 N ATOM 317 CA ASP A 32 -3.010 11.753 4.594 1.00 0.00 C ATOM 318 C ASP A 32 -2.559 11.095 3.298 1.00 0.00 C ATOM 319 O ASP A 32 -2.212 11.781 2.339 1.00 0.00 O ATOM 320 CB ASP A 32 -2.246 13.051 4.837 1.00 0.00 C ATOM 321 CG ASP A 32 -3.157 14.116 5.429 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.376 13.847 5.495 1.00 0.00 O ATOM 323 OD2 ASP A 32 -2.618 15.180 5.805 1.00 0.00 O ATOM 0 H ASP A 32 -1.819 10.569 5.833 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.072 11.983 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.411 12.865 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.823 13.410 3.899 1.00 0.00 H new ATOM 329 N SER A 33 -2.562 9.760 3.271 1.00 0.00 N ATOM 330 CA SER A 33 -2.155 9.019 2.095 1.00 0.00 C ATOM 331 C SER A 33 -3.383 8.538 1.335 1.00 0.00 C ATOM 332 O SER A 33 -3.558 8.863 0.163 1.00 0.00 O ATOM 333 CB SER A 33 -1.282 7.840 2.514 1.00 0.00 C ATOM 334 OG SER A 33 -1.955 7.083 3.496 1.00 0.00 O ATOM 0 H SER A 33 -2.845 9.176 4.058 1.00 0.00 H new ATOM 0 HA SER A 33 -1.577 9.667 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.056 7.216 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.330 8.199 2.905 1.00 0.00 H new ATOM 0 HG SER A 33 -1.578 7.283 4.378 1.00 0.00 H new ATOM 340 N GLY A 34 -4.237 7.761 2.007 1.00 0.00 N ATOM 341 CA GLY A 34 -5.441 7.243 1.390 1.00 0.00 C ATOM 342 C GLY A 34 -5.775 5.870 1.956 1.00 0.00 C ATOM 343 O GLY A 34 -6.892 5.639 2.415 1.00 0.00 O ATOM 0 H GLY A 34 -4.108 7.482 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.271 7.928 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.305 7.176 0.311 1.00 0.00 H new ATOM 347 N LEU A 35 -4.802 4.956 1.921 1.00 0.00 N ATOM 348 CA LEU A 35 -4.996 3.613 2.428 1.00 0.00 C ATOM 349 C LEU A 35 -5.369 3.666 3.903 1.00 0.00 C ATOM 350 O LEU A 35 -6.403 3.137 4.304 1.00 0.00 O ATOM 351 CB LEU A 35 -3.719 2.803 2.222 1.00 0.00 C ATOM 352 CG LEU A 35 -4.081 1.356 1.898 1.00 0.00 C ATOM 353 CD1 LEU A 35 -4.341 0.594 3.194 1.00 0.00 C ATOM 354 CD2 LEU A 35 -5.337 1.329 1.031 1.00 0.00 C ATOM 0 H LEU A 35 -3.871 5.132 1.543 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.809 3.130 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.130 3.232 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.102 2.842 3.120 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.257 0.887 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.600 -0.439 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.445 0.614 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.165 1.062 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.597 0.296 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.161 1.798 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.152 1.873 0.105 1.00 0.00 H new ATOM 366 N GLU A 36 -4.522 4.308 4.712 1.00 0.00 N ATOM 367 CA GLU A 36 -4.770 4.427 6.135 1.00 0.00 C ATOM 368 C GLU A 36 -4.682 3.057 6.793 1.00 0.00 C ATOM 369 O GLU A 36 -5.447 2.155 6.460 1.00 0.00 O ATOM 370 CB GLU A 36 -6.145 5.048 6.361 1.00 0.00 C ATOM 371 CG GLU A 36 -5.987 6.532 6.680 1.00 0.00 C ATOM 372 CD GLU A 36 -6.698 7.389 5.642 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.732 7.986 6.011 1.00 0.00 O ATOM 374 OE2 GLU A 36 -6.193 7.431 4.499 1.00 0.00 O ATOM 0 H GLU A 36 -3.659 4.751 4.397 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.016 5.072 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.764 4.920 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.654 4.541 7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.393 6.741 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.929 6.791 6.709 1.00 0.00 H new ATOM 382 N ILE A 37 -3.744 2.904 7.731 1.00 0.00 N ATOM 383 CA ILE A 37 -3.560 1.650 8.433 1.00 0.00 C ATOM 384 C ILE A 37 -3.725 1.869 9.931 1.00 0.00 C ATOM 385 O ILE A 37 -2.827 2.393 10.586 1.00 0.00 O ATOM 386 CB ILE A 37 -2.176 1.089 8.118 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.756 1.527 6.718 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.219 -0.435 8.182 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.602 0.795 5.680 1.00 0.00 C ATOM 0 H ILE A 37 -3.101 3.643 8.017 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.312 0.932 8.105 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.457 1.464 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.881 2.604 6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.699 1.311 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.231 -0.837 7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.519 -0.749 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.937 -0.810 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.302 1.108 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.455 -0.280 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.654 1.034 5.834 1.00 0.00 H new ATOM 401 N ARG A 38 -4.878 1.467 10.471 1.00 0.00 N ATOM 402 CA ARG A 38 -5.155 1.622 11.885 1.00 0.00 C ATOM 403 C ARG A 38 -6.516 1.024 12.212 1.00 0.00 C ATOM 404 O ARG A 38 -6.690 0.410 13.262 1.00 0.00 O ATOM 405 CB ARG A 38 -5.113 3.103 12.251 1.00 0.00 C ATOM 406 CG ARG A 38 -3.756 3.437 12.862 1.00 0.00 C ATOM 407 CD ARG A 38 -3.160 4.648 12.148 1.00 0.00 C ATOM 408 NE ARG A 38 -1.986 5.152 12.860 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.092 5.974 12.294 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.255 6.370 11.024 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.035 6.402 12.998 1.00 0.00 N ATOM 0 H ARG A 38 -5.632 1.031 9.941 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.399 1.096 12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.285 3.713 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.909 3.337 12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.866 3.647 13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.085 2.583 12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.882 4.374 11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.910 5.436 12.073 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.842 4.866 13.828 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.060 6.046 10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.574 6.996 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.089 6.102 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.645 7.028 12.567 1.00 0.00 H new ATOM 425 N ASP A 39 -7.482 1.204 11.308 1.00 0.00 N ATOM 426 CA ASP A 39 -8.820 0.684 11.506 1.00 0.00 C ATOM 427 C ASP A 39 -9.386 0.202 10.178 1.00 0.00 C ATOM 428 O ASP A 39 -9.259 0.883 9.163 1.00 0.00 O ATOM 429 CB ASP A 39 -9.705 1.771 12.108 1.00 0.00 C ATOM 430 CG ASP A 39 -8.919 2.630 13.089 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.100 3.440 12.605 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.152 2.459 14.306 1.00 0.00 O ATOM 0 H ASP A 39 -7.353 1.709 10.431 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.788 -0.161 12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.110 2.397 11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.554 1.314 12.617 1.00 0.00 H new ATOM 438 N ARG A 40 -10.012 -0.978 10.186 1.00 0.00 N ATOM 439 CA ARG A 40 -10.591 -1.544 8.985 1.00 0.00 C ATOM 440 C ARG A 40 -11.794 -2.403 9.349 1.00 0.00 C ATOM 441 O ARG A 40 -12.146 -2.518 10.521 1.00 0.00 O ATOM 442 CB ARG A 40 -9.538 -2.372 8.255 1.00 0.00 C ATOM 443 CG ARG A 40 -8.771 -1.477 7.285 1.00 0.00 C ATOM 444 CD ARG A 40 -9.245 -1.747 5.860 1.00 0.00 C ATOM 445 NE ARG A 40 -9.497 -0.496 5.145 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.655 0.172 5.238 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.641 -0.301 6.012 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.828 1.313 4.556 1.00 0.00 N ATOM 0 H ARG A 40 -10.126 -1.555 11.019 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.926 -0.743 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.851 -2.821 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.014 -3.190 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.928 -0.429 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.701 -1.668 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.493 -2.329 5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.155 -2.346 5.883 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.760 -0.116 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.510 -1.170 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.522 0.208 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.078 1.673 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.710 1.821 4.627 1.00 0.00 H new ATOM 462 N MET A 41 -12.426 -3.009 8.340 1.00 0.00 N ATOM 463 CA MET A 41 -13.584 -3.851 8.562 1.00 0.00 C ATOM 464 C MET A 41 -13.350 -5.225 7.952 1.00 0.00 C ATOM 465 O MET A 41 -12.734 -5.341 6.895 1.00 0.00 O ATOM 466 CB MET A 41 -14.816 -3.191 7.948 1.00 0.00 C ATOM 467 CG MET A 41 -15.293 -2.060 8.855 1.00 0.00 C ATOM 468 SD MET A 41 -17.093 -1.932 8.986 1.00 0.00 S ATOM 469 CE MET A 41 -17.410 -3.371 10.038 1.00 0.00 C ATOM 0 H MET A 41 -12.147 -2.926 7.362 1.00 0.00 H new ATOM 0 HA MET A 41 -13.747 -3.975 9.633 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.578 -2.802 6.958 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.610 -3.927 7.819 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.876 -2.206 9.851 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.898 -1.116 8.480 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.476 -3.434 10.257 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.092 -4.277 9.521 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.853 -3.270 10.970 1.00 0.00 H new ATOM 479 N TRP A 42 -13.843 -6.269 8.621 1.00 0.00 N ATOM 480 CA TRP A 42 -13.685 -7.627 8.139 1.00 0.00 C ATOM 481 C TRP A 42 -14.629 -8.556 8.887 1.00 0.00 C ATOM 482 O TRP A 42 -14.687 -8.530 10.115 1.00 0.00 O ATOM 483 CB TRP A 42 -12.235 -8.065 8.324 1.00 0.00 C ATOM 484 CG TRP A 42 -11.942 -9.467 7.895 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.357 -10.412 8.664 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.207 -10.107 6.610 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.242 -11.584 7.947 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.751 -11.452 6.671 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.784 -9.688 5.398 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.862 -12.333 5.592 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.901 -10.564 4.309 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.442 -11.883 4.402 1.00 0.00 C ATOM 0 H TRP A 42 -14.355 -6.191 9.500 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.932 -7.671 7.078 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.591 -7.387 7.764 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.970 -7.959 9.376 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.030 -10.271 9.684 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.831 -12.442 8.314 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.143 -8.674 5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.504 -13.349 5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.350 -10.217 3.390 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.535 -12.550 3.558 1.00 0.00 H new ATOM 503 N LEU A 43 -15.372 -9.380 8.144 1.00 0.00 N ATOM 504 CA LEU A 43 -16.309 -10.312 8.738 1.00 0.00 C ATOM 505 C LEU A 43 -17.482 -9.553 9.340 1.00 0.00 C ATOM 506 O LEU A 43 -18.128 -10.038 10.266 1.00 0.00 O ATOM 507 CB LEU A 43 -15.595 -11.139 9.804 1.00 0.00 C ATOM 508 CG LEU A 43 -15.233 -12.505 9.229 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.725 -12.579 9.004 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.655 -13.597 10.208 1.00 0.00 C ATOM 0 H LEU A 43 -15.336 -9.414 7.125 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.694 -10.985 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.695 -10.623 10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.236 -11.258 10.677 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.750 -12.648 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.466 -13.555 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.423 -11.799 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.208 -12.436 9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.397 -14.573 9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.139 -13.454 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.732 -13.545 10.369 1.00 0.00 H new ATOM 522 N LYS A 44 -17.756 -8.358 8.812 1.00 0.00 N ATOM 523 CA LYS A 44 -18.848 -7.540 9.300 1.00 0.00 C ATOM 524 C LYS A 44 -18.507 -6.988 10.677 1.00 0.00 C ATOM 525 O LYS A 44 -19.395 -6.579 11.422 1.00 0.00 O ATOM 526 CB LYS A 44 -20.124 -8.376 9.354 1.00 0.00 C ATOM 527 CG LYS A 44 -20.745 -8.445 7.962 1.00 0.00 C ATOM 528 CD LYS A 44 -22.130 -7.805 7.990 1.00 0.00 C ATOM 529 CE LYS A 44 -22.476 -7.280 6.599 1.00 0.00 C ATOM 530 NZ LYS A 44 -22.853 -5.859 6.651 1.00 0.00 N ATOM 0 H LYS A 44 -17.230 -7.942 8.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.007 -6.700 8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.899 -9.380 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.830 -7.936 10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.109 -7.929 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.819 -9.483 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.873 -8.535 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.151 -6.990 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.622 -7.409 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.296 -7.863 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.084 -5.526 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.683 -5.742 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.060 -5.303 7.029 1.00 0.00 H new ATOM 544 N ILE A 45 -17.215 -6.978 11.014 1.00 0.00 N ATOM 545 CA ILE A 45 -16.761 -6.477 12.296 1.00 0.00 C ATOM 546 C ILE A 45 -15.796 -5.319 12.084 1.00 0.00 C ATOM 547 O ILE A 45 -15.457 -4.992 10.949 1.00 0.00 O ATOM 548 CB ILE A 45 -16.090 -7.606 13.074 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.659 -8.947 12.618 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.354 -7.422 14.566 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.036 -10.070 13.442 1.00 0.00 C ATOM 0 H ILE A 45 -16.468 -7.315 10.407 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.612 -6.114 12.872 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.016 -7.586 12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.743 -8.953 12.735 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.452 -9.101 11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.875 -8.228 15.122 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.948 -6.465 14.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.428 -7.442 14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.442 -11.028 13.117 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -14.955 -10.068 13.302 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.265 -9.918 14.497 1.00 0.00 H new ATOM 563 N THR A 46 -15.354 -4.699 13.180 1.00 0.00 N ATOM 564 CA THR A 46 -14.431 -3.584 13.103 1.00 0.00 C ATOM 565 C THR A 46 -13.176 -3.892 13.906 1.00 0.00 C ATOM 566 O THR A 46 -13.260 -4.358 15.041 1.00 0.00 O ATOM 567 CB THR A 46 -15.113 -2.324 13.629 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.032 -1.852 12.669 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.062 -1.251 13.897 1.00 0.00 C ATOM 0 H THR A 46 -15.626 -4.957 14.129 1.00 0.00 H new ATOM 0 HA THR A 46 -14.141 -3.420 12.065 1.00 0.00 H new ATOM 0 HB THR A 46 -15.640 -2.555 14.555 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.472 -1.044 13.007 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.549 -0.351 14.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.351 -1.615 14.638 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.535 -1.019 12.972 1.00 0.00 H new ATOM 577 N ILE A 47 -12.009 -3.632 13.314 1.00 0.00 N ATOM 578 CA ILE A 47 -10.742 -3.879 13.973 1.00 0.00 C ATOM 579 C ILE A 47 -9.965 -2.577 14.101 1.00 0.00 C ATOM 580 O ILE A 47 -10.262 -1.604 13.411 1.00 0.00 O ATOM 581 CB ILE A 47 -9.946 -4.908 13.175 1.00 0.00 C ATOM 582 CG1 ILE A 47 -10.639 -6.265 13.261 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.538 -5.019 13.751 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.457 -6.500 11.994 1.00 0.00 C ATOM 0 H ILE A 47 -11.924 -3.248 12.373 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.919 -4.273 14.974 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.889 -4.595 12.133 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.899 -7.056 13.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.287 -6.299 14.137 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.969 -5.754 13.182 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.043 -4.050 13.690 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.595 -5.333 14.793 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.952 -7.469 12.055 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.207 -5.715 11.894 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.797 -6.484 11.127 1.00 0.00 H new ATOM 596 N ALA A 48 -8.967 -2.559 14.988 1.00 0.00 N ATOM 597 CA ALA A 48 -8.155 -1.379 15.202 1.00 0.00 C ATOM 598 C ALA A 48 -6.759 -1.604 14.639 1.00 0.00 C ATOM 599 O ALA A 48 -5.766 -1.352 15.317 1.00 0.00 O ATOM 600 CB ALA A 48 -8.092 -1.070 16.696 1.00 0.00 C ATOM 0 H ALA A 48 -8.708 -3.357 15.568 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.600 -0.528 14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.481 -0.182 16.858 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.099 -0.892 17.073 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.651 -1.915 17.224 1.00 0.00 H new ATOM 606 N ASN A 49 -6.686 -2.079 13.393 1.00 0.00 N ATOM 607 CA ASN A 49 -5.414 -2.334 12.748 1.00 0.00 C ATOM 608 C ASN A 49 -5.566 -3.448 11.722 1.00 0.00 C ATOM 609 O ASN A 49 -5.613 -4.623 12.079 1.00 0.00 O ATOM 610 CB ASN A 49 -4.377 -2.710 13.803 1.00 0.00 C ATOM 611 CG ASN A 49 -3.518 -1.509 14.172 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.231 -0.665 13.326 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.108 -1.433 15.440 1.00 0.00 N ATOM 0 H ASN A 49 -7.500 -2.292 12.817 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.080 -1.435 12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.879 -3.090 14.693 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.744 -3.513 13.426 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.530 -0.649 15.743 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.373 -2.159 16.106 1.00 0.00 H new ATOM 620 N ALA A 50 -5.644 -3.074 10.442 1.00 0.00 N ATOM 621 CA ALA A 50 -5.792 -4.040 9.372 1.00 0.00 C ATOM 622 C ALA A 50 -5.565 -3.360 8.029 1.00 0.00 C ATOM 623 O ALA A 50 -5.842 -2.171 7.879 1.00 0.00 O ATOM 624 CB ALA A 50 -7.185 -4.660 9.436 1.00 0.00 C ATOM 0 H ALA A 50 -5.606 -2.104 10.130 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.051 -4.832 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.297 -5.387 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.318 -5.158 10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.937 -3.878 9.326 1.00 0.00 H new ATOM 630 N VAL A 51 -5.061 -4.117 7.052 1.00 0.00 N ATOM 631 CA VAL A 51 -4.800 -3.585 5.730 1.00 0.00 C ATOM 632 C VAL A 51 -4.247 -4.683 4.833 1.00 0.00 C ATOM 633 O VAL A 51 -4.805 -4.962 3.775 1.00 0.00 O ATOM 634 CB VAL A 51 -3.814 -2.425 5.834 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.583 -1.110 5.923 1.00 0.00 C ATOM 636 CG2 VAL A 51 -2.956 -2.598 7.085 1.00 0.00 C ATOM 0 H VAL A 51 -4.827 -5.104 7.161 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.728 -3.217 5.292 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.173 -2.412 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.879 -0.281 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.196 -0.986 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.224 -1.122 6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.251 -1.770 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.597 -2.611 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.407 -3.537 7.022 1.00 0.00 H new ATOM 646 N ILE A 52 -3.147 -5.307 5.260 1.00 0.00 N ATOM 647 CA ILE A 52 -2.525 -6.372 4.498 1.00 0.00 C ATOM 648 C ILE A 52 -2.166 -5.867 3.107 1.00 0.00 C ATOM 649 O ILE A 52 -2.491 -4.737 2.752 1.00 0.00 O ATOM 650 CB ILE A 52 -3.478 -7.560 4.414 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.696 -8.856 4.606 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.155 -7.573 3.046 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.624 -9.934 5.157 1.00 0.00 C ATOM 0 H ILE A 52 -2.673 -5.086 6.135 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.609 -6.694 4.994 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.235 -7.474 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.269 -9.179 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.864 -8.693 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.836 -8.422 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.715 -6.648 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.398 -7.659 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.065 -10.860 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.030 -9.610 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.441 -10.104 4.456 1.00 0.00 H new ATOM 665 N GLY A 53 -1.492 -6.709 2.319 1.00 0.00 N ATOM 666 CA GLY A 53 -1.095 -6.339 0.975 1.00 0.00 C ATOM 667 C GLY A 53 -2.316 -5.950 0.153 1.00 0.00 C ATOM 668 O GLY A 53 -2.249 -5.038 -0.668 1.00 0.00 O ATOM 0 H GLY A 53 -1.214 -7.650 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.392 -5.506 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.578 -7.172 0.499 1.00 0.00 H new ATOM 672 N ALA A 54 -3.433 -6.645 0.377 1.00 0.00 N ATOM 673 CA ALA A 54 -4.661 -6.371 -0.343 1.00 0.00 C ATOM 674 C ALA A 54 -4.918 -4.871 -0.371 1.00 0.00 C ATOM 675 O ALA A 54 -4.921 -4.260 -1.437 1.00 0.00 O ATOM 676 CB ALA A 54 -5.818 -7.106 0.328 1.00 0.00 C ATOM 0 H ALA A 54 -3.504 -7.403 1.056 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.572 -6.723 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.742 -6.901 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.622 -8.178 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.917 -6.765 1.358 1.00 0.00 H new ATOM 682 N ASP A 55 -5.135 -4.279 0.805 1.00 0.00 N ATOM 683 CA ASP A 55 -5.393 -2.857 0.909 1.00 0.00 C ATOM 684 C ASP A 55 -4.195 -2.077 0.388 1.00 0.00 C ATOM 685 O ASP A 55 -4.351 -1.156 -0.410 1.00 0.00 O ATOM 686 CB ASP A 55 -5.682 -2.498 2.364 1.00 0.00 C ATOM 687 CG ASP A 55 -6.759 -1.426 2.456 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.163 -1.125 3.600 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.158 -0.929 1.381 1.00 0.00 O ATOM 0 H ASP A 55 -5.135 -4.772 1.698 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.262 -2.595 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.002 -3.388 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.769 -2.144 2.844 1.00 0.00 H new ATOM 695 N VAL A 56 -2.995 -2.448 0.842 1.00 0.00 N ATOM 696 CA VAL A 56 -1.779 -1.784 0.421 1.00 0.00 C ATOM 697 C VAL A 56 -1.734 -1.706 -1.099 1.00 0.00 C ATOM 698 O VAL A 56 -1.125 -0.796 -1.658 1.00 0.00 O ATOM 699 CB VAL A 56 -0.571 -2.545 0.959 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.707 -1.790 0.605 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.684 -2.671 2.476 1.00 0.00 C ATOM 0 H VAL A 56 -2.849 -3.210 1.504 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.758 -0.769 0.818 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.540 -3.539 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.570 -2.334 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.788 -1.700 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.677 -0.796 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.179 -3.215 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.715 -1.677 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.596 -3.211 2.729 1.00 0.00 H new ATOM 711 N VAL A 57 -2.382 -2.663 -1.766 1.00 0.00 N ATOM 712 CA VAL A 57 -2.414 -2.699 -3.215 1.00 0.00 C ATOM 713 C VAL A 57 -3.452 -1.713 -3.731 1.00 0.00 C ATOM 714 O VAL A 57 -3.111 -0.751 -4.416 1.00 0.00 O ATOM 715 CB VAL A 57 -2.734 -4.116 -3.681 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.907 -4.125 -5.197 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.591 -5.049 -3.294 1.00 0.00 C ATOM 0 H VAL A 57 -2.892 -3.423 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.440 -2.412 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.655 -4.455 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.136 -5.137 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.724 -3.458 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.985 -3.786 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.819 -6.062 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.669 -4.711 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.467 -5.042 -2.211 1.00 0.00 H new ATOM 727 N ASP A 58 -4.723 -1.953 -3.399 1.00 0.00 N ATOM 728 CA ASP A 58 -5.802 -1.087 -3.831 1.00 0.00 C ATOM 729 C ASP A 58 -5.355 0.366 -3.760 1.00 0.00 C ATOM 730 O ASP A 58 -5.818 1.198 -4.538 1.00 0.00 O ATOM 731 CB ASP A 58 -7.024 -1.321 -2.948 1.00 0.00 C ATOM 732 CG ASP A 58 -8.250 -0.624 -3.521 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.554 0.484 -3.030 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.860 -1.213 -4.440 1.00 0.00 O ATOM 0 H ASP A 58 -5.022 -2.745 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.067 -1.315 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.216 -2.391 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.827 -0.950 -1.942 1.00 0.00 H new ATOM 740 N TRP A 59 -4.453 0.672 -2.825 1.00 0.00 N ATOM 741 CA TRP A 59 -3.952 2.022 -2.663 1.00 0.00 C ATOM 742 C TRP A 59 -2.895 2.313 -3.719 1.00 0.00 C ATOM 743 O TRP A 59 -3.101 3.152 -4.593 1.00 0.00 O ATOM 744 CB TRP A 59 -3.374 2.185 -1.261 1.00 0.00 C ATOM 745 CG TRP A 59 -3.224 3.599 -0.801 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.239 4.417 -0.448 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.004 4.385 -0.638 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.735 5.647 -0.079 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.359 5.682 -0.178 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.634 4.135 -0.831 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.410 6.676 0.075 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.327 5.125 -0.580 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.056 6.394 -0.128 1.00 0.00 C ATOM 0 H TRP A 59 -4.059 -0.005 -2.171 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.768 2.733 -2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.015 1.655 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.397 1.702 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.285 4.149 -0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.308 6.433 0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.316 3.163 -1.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.719 7.651 0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.373 4.907 -0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.691 7.151 0.063 1.00 0.00 H new ATOM 764 N LEU A 60 -1.760 1.615 -3.637 1.00 0.00 N ATOM 765 CA LEU A 60 -0.678 1.800 -4.583 1.00 0.00 C ATOM 766 C LEU A 60 -1.244 2.110 -5.961 1.00 0.00 C ATOM 767 O LEU A 60 -0.762 3.011 -6.645 1.00 0.00 O ATOM 768 CB LEU A 60 0.183 0.541 -4.623 1.00 0.00 C ATOM 769 CG LEU A 60 1.073 0.494 -3.385 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.492 -0.948 -3.113 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.315 1.349 -3.618 1.00 0.00 C ATOM 0 H LEU A 60 -1.574 0.915 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.057 2.639 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.451 -0.345 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.795 0.535 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 60 0.522 0.880 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.128 -0.981 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.605 -1.559 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.043 -1.335 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.951 1.315 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.866 0.964 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.016 2.379 -3.811 1.00 0.00 H new ATOM 783 N TYR A 61 -2.270 1.361 -6.369 1.00 0.00 N ATOM 784 CA TYR A 61 -2.894 1.559 -7.662 1.00 0.00 C ATOM 785 C TYR A 61 -3.696 2.852 -7.656 1.00 0.00 C ATOM 786 O TYR A 61 -3.573 3.666 -8.568 1.00 0.00 O ATOM 787 CB TYR A 61 -3.791 0.367 -7.981 1.00 0.00 C ATOM 788 CG TYR A 61 -4.536 0.505 -9.287 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.629 1.374 -9.381 1.00 0.00 C ATOM 790 CD2 TYR A 61 -4.133 -0.237 -10.404 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.319 1.503 -10.592 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.824 -0.108 -11.616 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.917 0.762 -11.710 1.00 0.00 C ATOM 794 OH TYR A 61 -6.589 0.887 -12.890 1.00 0.00 O ATOM 0 H TYR A 61 -2.682 0.611 -5.814 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.127 1.635 -8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.183 -0.537 -8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.511 0.238 -7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.940 1.945 -8.519 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.290 -0.908 -10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.162 2.174 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.513 -0.680 -12.478 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.180 0.304 -13.563 1.00 0.00 H new ATOM 804 N THR A 62 -4.521 3.040 -6.623 1.00 0.00 N ATOM 805 CA THR A 62 -5.336 4.233 -6.507 1.00 0.00 C ATOM 806 C THR A 62 -4.516 5.364 -5.904 1.00 0.00 C ATOM 807 O THR A 62 -5.070 6.365 -5.455 1.00 0.00 O ATOM 808 CB THR A 62 -6.557 3.931 -5.644 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.575 4.865 -5.927 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.175 4.027 -4.169 1.00 0.00 C ATOM 0 H THR A 62 -4.636 2.375 -5.858 1.00 0.00 H new ATOM 0 HA THR A 62 -5.673 4.544 -7.496 1.00 0.00 H new ATOM 0 HB THR A 62 -6.915 2.925 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.205 5.772 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.048 3.811 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.388 3.306 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.816 5.033 -3.951 1.00 0.00 H new ATOM 818 N HIS A 63 -3.190 5.204 -5.895 1.00 0.00 N ATOM 819 CA HIS A 63 -2.305 6.212 -5.345 1.00 0.00 C ATOM 820 C HIS A 63 -1.428 6.790 -6.447 1.00 0.00 C ATOM 821 O HIS A 63 -1.640 7.918 -6.885 1.00 0.00 O ATOM 822 CB HIS A 63 -1.451 5.591 -4.244 1.00 0.00 C ATOM 823 CG HIS A 63 -0.752 6.622 -3.400 1.00 0.00 C ATOM 824 ND1 HIS A 63 -1.355 7.648 -2.708 1.00 0.00 N ATOM 825 CD2 HIS A 63 0.596 6.708 -3.184 1.00 0.00 C ATOM 826 CE1 HIS A 63 -0.381 8.337 -2.087 1.00 0.00 C ATOM 827 NE2 HIS A 63 0.825 7.804 -2.346 1.00 0.00 N ATOM 0 H HIS A 63 -2.713 4.382 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.894 7.023 -4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.082 4.972 -3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.709 4.932 -4.694 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.354 7.848 -2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.349 6.048 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.546 9.203 -1.463 1.00 0.00 H new ATOM 835 N VAL A 64 -0.440 6.011 -6.895 1.00 0.00 N ATOM 836 CA VAL A 64 0.463 6.446 -7.941 1.00 0.00 C ATOM 837 C VAL A 64 0.427 5.457 -9.097 1.00 0.00 C ATOM 838 O VAL A 64 -0.417 4.564 -9.126 1.00 0.00 O ATOM 839 CB VAL A 64 1.875 6.567 -7.375 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.945 7.762 -6.429 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.227 5.293 -6.612 1.00 0.00 C ATOM 0 H VAL A 64 -0.252 5.073 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 64 0.151 7.421 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 64 2.582 6.710 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.954 7.848 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.693 8.672 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.238 7.621 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.235 5.378 -6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.519 5.151 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.178 4.439 -7.288 1.00 0.00 H new ATOM 851 N GLU A 65 1.347 5.617 -10.051 1.00 0.00 N ATOM 852 CA GLU A 65 1.414 4.736 -11.200 1.00 0.00 C ATOM 853 C GLU A 65 2.861 4.352 -11.477 1.00 0.00 C ATOM 854 O GLU A 65 3.781 4.940 -10.912 1.00 0.00 O ATOM 855 CB GLU A 65 0.798 5.434 -12.410 1.00 0.00 C ATOM 856 CG GLU A 65 1.474 6.786 -12.616 1.00 0.00 C ATOM 857 CD GLU A 65 1.703 7.059 -14.096 1.00 0.00 C ATOM 858 OE1 GLU A 65 2.800 6.703 -14.576 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.775 7.619 -14.719 1.00 0.00 O ATOM 0 H GLU A 65 2.054 6.353 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 65 0.852 3.824 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.918 4.816 -13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.273 5.570 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.856 7.575 -12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.427 6.805 -12.087 1.00 0.00 H new ATOM 867 N GLY A 66 3.061 3.363 -12.351 1.00 0.00 N ATOM 868 CA GLY A 66 4.394 2.911 -12.696 1.00 0.00 C ATOM 869 C GLY A 66 4.432 1.391 -12.772 1.00 0.00 C ATOM 870 O GLY A 66 5.411 0.814 -13.241 1.00 0.00 O ATOM 0 H GLY A 66 2.310 2.865 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.694 3.338 -13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.109 3.263 -11.952 1.00 0.00 H new ATOM 874 N PHE A 67 3.362 0.742 -12.308 1.00 0.00 N ATOM 875 CA PHE A 67 3.280 -0.705 -12.327 1.00 0.00 C ATOM 876 C PHE A 67 2.582 -1.166 -13.598 1.00 0.00 C ATOM 877 O PHE A 67 1.500 -0.684 -13.925 1.00 0.00 O ATOM 878 CB PHE A 67 2.525 -1.186 -11.090 1.00 0.00 C ATOM 879 CG PHE A 67 3.240 -0.887 -9.794 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.589 -1.228 -9.644 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.552 -0.272 -8.741 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.251 -0.953 -8.442 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.214 0.004 -7.539 1.00 0.00 C ATOM 884 CZ PHE A 67 4.564 -0.337 -7.389 1.00 0.00 C ATOM 0 H PHE A 67 2.542 1.205 -11.915 1.00 0.00 H new ATOM 0 HA PHE A 67 4.283 -1.131 -12.313 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.541 -0.717 -11.069 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.364 -2.261 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.119 -1.703 -10.456 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.510 -0.011 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.292 -1.216 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.684 0.480 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.075 -0.125 -6.461 1.00 0.00 H new ATOM 894 N LYS A 68 3.204 -2.104 -14.316 1.00 0.00 N ATOM 895 CA LYS A 68 2.640 -2.624 -15.546 1.00 0.00 C ATOM 896 C LYS A 68 1.133 -2.779 -15.399 1.00 0.00 C ATOM 897 O LYS A 68 0.369 -2.178 -16.150 1.00 0.00 O ATOM 898 CB LYS A 68 3.292 -3.964 -15.877 1.00 0.00 C ATOM 899 CG LYS A 68 4.562 -3.725 -16.688 1.00 0.00 C ATOM 900 CD LYS A 68 5.779 -3.844 -15.776 1.00 0.00 C ATOM 901 CE LYS A 68 7.052 -3.723 -16.608 1.00 0.00 C ATOM 902 NZ LYS A 68 8.034 -2.850 -15.947 1.00 0.00 N ATOM 0 H LYS A 68 4.101 -2.515 -14.059 1.00 0.00 H new ATOM 0 HA LYS A 68 2.835 -1.928 -16.362 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.530 -4.502 -14.959 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.599 -4.588 -16.442 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.630 -4.450 -17.499 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.533 -2.736 -17.146 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.754 -3.064 -15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.763 -4.800 -15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.485 -4.711 -16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.810 -3.324 -17.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.890 -2.785 -16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.627 -1.901 -15.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.280 -3.246 -15.017 1.00 0.00 H new ATOM 916 N GLU A 69 0.706 -3.589 -14.427 1.00 0.00 N ATOM 917 CA GLU A 69 -0.705 -3.816 -14.189 1.00 0.00 C ATOM 918 C GLU A 69 -0.907 -4.432 -12.812 1.00 0.00 C ATOM 919 O GLU A 69 -0.035 -4.336 -11.951 1.00 0.00 O ATOM 920 CB GLU A 69 -1.263 -4.728 -15.277 1.00 0.00 C ATOM 921 CG GLU A 69 -2.716 -4.357 -15.558 1.00 0.00 C ATOM 922 CD GLU A 69 -3.601 -5.594 -15.568 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.038 -6.693 -15.767 1.00 0.00 O ATOM 924 OE2 GLU A 69 -4.824 -5.419 -15.376 1.00 0.00 O ATOM 0 H GLU A 69 1.326 -4.096 -13.795 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.239 -2.866 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.670 -4.632 -16.186 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.197 -5.769 -14.962 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.070 -3.658 -14.800 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.786 -3.847 -16.519 1.00 0.00 H new ATOM 932 N ARG A 70 -2.062 -5.069 -12.606 1.00 0.00 N ATOM 933 CA ARG A 70 -2.374 -5.697 -11.338 1.00 0.00 C ATOM 934 C ARG A 70 -1.231 -6.612 -10.921 1.00 0.00 C ATOM 935 O ARG A 70 -1.067 -6.904 -9.739 1.00 0.00 O ATOM 936 CB ARG A 70 -3.676 -6.483 -11.467 1.00 0.00 C ATOM 937 CG ARG A 70 -4.748 -5.838 -10.594 1.00 0.00 C ATOM 938 CD ARG A 70 -4.459 -6.139 -9.127 1.00 0.00 C ATOM 939 NE ARG A 70 -4.138 -4.915 -8.393 1.00 0.00 N ATOM 940 CZ ARG A 70 -5.042 -3.956 -8.150 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.302 -4.096 -8.584 1.00 0.00 N ATOM 942 NH2 ARG A 70 -4.686 -2.855 -7.472 1.00 0.00 N ATOM 0 H ARG A 70 -2.794 -5.159 -13.310 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.501 -4.933 -10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.001 -6.501 -12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.520 -7.518 -11.164 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.766 -4.761 -10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.732 -6.219 -10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.325 -6.622 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.628 -6.840 -9.053 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.186 -4.786 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.574 -4.933 -9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.989 -3.366 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.727 -2.747 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.374 -2.125 -7.287 1.00 0.00 H new ATOM 956 N ARG A 71 -0.440 -7.064 -11.897 1.00 0.00 N ATOM 957 CA ARG A 71 0.681 -7.942 -11.628 1.00 0.00 C ATOM 958 C ARG A 71 1.752 -7.188 -10.854 1.00 0.00 C ATOM 959 O ARG A 71 1.967 -7.449 -9.672 1.00 0.00 O ATOM 960 CB ARG A 71 1.238 -8.472 -12.945 1.00 0.00 C ATOM 961 CG ARG A 71 0.110 -9.097 -13.761 1.00 0.00 C ATOM 962 CD ARG A 71 -0.203 -10.487 -13.214 1.00 0.00 C ATOM 963 NE ARG A 71 -0.398 -11.447 -14.301 1.00 0.00 N ATOM 964 CZ ARG A 71 0.583 -11.798 -15.144 1.00 0.00 C ATOM 965 NH1 ARG A 71 1.805 -11.264 -15.009 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.343 -12.682 -16.122 1.00 0.00 N ATOM 0 H ARG A 71 -0.563 -6.830 -12.882 1.00 0.00 H new ATOM 0 HA ARG A 71 0.350 -8.786 -11.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.702 -7.662 -13.508 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.015 -9.212 -12.752 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.779 -8.468 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.399 -9.164 -14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.612 -10.821 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.100 -10.445 -12.596 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.320 -11.867 -14.422 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.988 -10.591 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.552 -11.531 -15.650 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.587 -13.088 -16.225 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.090 -12.949 -16.763 1.00 0.00 H new ATOM 980 N GLU A 72 2.426 -6.249 -11.523 1.00 0.00 N ATOM 981 CA GLU A 72 3.468 -5.464 -10.892 1.00 0.00 C ATOM 982 C GLU A 72 2.979 -4.931 -9.553 1.00 0.00 C ATOM 983 O GLU A 72 3.733 -4.900 -8.582 1.00 0.00 O ATOM 984 CB GLU A 72 3.868 -4.317 -11.816 1.00 0.00 C ATOM 985 CG GLU A 72 4.879 -4.820 -12.843 1.00 0.00 C ATOM 986 CD GLU A 72 6.262 -4.957 -12.223 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.560 -4.148 -11.318 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.994 -5.867 -12.665 1.00 0.00 O ATOM 0 H GLU A 72 2.262 -6.020 -12.503 1.00 0.00 H new ATOM 0 HA GLU A 72 4.341 -6.092 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.988 -3.919 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.299 -3.501 -11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.555 -5.784 -13.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.921 -4.130 -13.686 1.00 0.00 H new ATOM 996 N ALA A 73 1.713 -4.513 -9.502 1.00 0.00 N ATOM 997 CA ALA A 73 1.130 -3.984 -8.285 1.00 0.00 C ATOM 998 C ALA A 73 1.242 -5.015 -7.170 1.00 0.00 C ATOM 999 O ALA A 73 1.795 -4.728 -6.111 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.329 -3.618 -8.538 1.00 0.00 C ATOM 0 H ALA A 73 1.076 -4.534 -10.298 1.00 0.00 H new ATOM 0 HA ALA A 73 1.668 -3.087 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.768 -3.220 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.384 -2.865 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.879 -4.507 -8.848 1.00 0.00 H new ATOM 1006 N ARG A 74 0.715 -6.217 -7.412 1.00 0.00 N ATOM 1007 CA ARG A 74 0.757 -7.282 -6.430 1.00 0.00 C ATOM 1008 C ARG A 74 2.204 -7.637 -6.116 1.00 0.00 C ATOM 1009 O ARG A 74 2.508 -8.093 -5.016 1.00 0.00 O ATOM 1010 CB ARG A 74 0.007 -8.497 -6.966 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.289 -9.460 -5.819 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.288 -10.515 -6.285 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.623 -11.794 -6.533 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.241 -12.833 -7.111 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.522 -12.725 -7.489 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.578 -13.980 -7.312 1.00 0.00 N ATOM 0 H ARG A 74 0.254 -6.470 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 74 0.276 -6.952 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.923 -8.183 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.602 -8.997 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.632 -9.938 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.692 -8.914 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.064 -10.645 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.782 -10.176 -7.195 1.00 0.00 H new ATOM 0 HE ARG A 74 0.352 -11.899 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.027 -11.852 -7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.992 -13.516 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.397 -14.062 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.049 -14.771 -7.752 1.00 0.00 H new ATOM 1030 N LYS A 75 3.096 -7.427 -7.086 1.00 0.00 N ATOM 1031 CA LYS A 75 4.503 -7.725 -6.906 1.00 0.00 C ATOM 1032 C LYS A 75 5.103 -6.788 -5.868 1.00 0.00 C ATOM 1033 O LYS A 75 5.890 -7.214 -5.025 1.00 0.00 O ATOM 1034 CB LYS A 75 5.226 -7.584 -8.243 1.00 0.00 C ATOM 1035 CG LYS A 75 6.734 -7.620 -8.011 1.00 0.00 C ATOM 1036 CD LYS A 75 7.156 -9.032 -7.617 1.00 0.00 C ATOM 1037 CE LYS A 75 7.194 -9.918 -8.859 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.847 -11.308 -8.527 1.00 0.00 N ATOM 0 H LYS A 75 2.860 -7.050 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 75 4.618 -8.749 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.931 -8.390 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.943 -6.648 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.259 -7.311 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.009 -6.915 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.137 -9.011 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.458 -9.441 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.498 -9.534 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.189 -9.884 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.880 -11.889 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.526 -11.679 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.889 -11.340 -8.125 1.00 0.00 H new ATOM 1052 N TYR A 76 4.729 -5.508 -5.929 1.00 0.00 N ATOM 1053 CA TYR A 76 5.233 -4.520 -4.996 1.00 0.00 C ATOM 1054 C TYR A 76 4.705 -4.813 -3.599 1.00 0.00 C ATOM 1055 O TYR A 76 5.471 -4.850 -2.639 1.00 0.00 O ATOM 1056 CB TYR A 76 4.809 -3.128 -5.454 1.00 0.00 C ATOM 1057 CG TYR A 76 5.610 -2.015 -4.821 1.00 0.00 C ATOM 1058 CD1 TYR A 76 6.859 -1.665 -5.348 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.104 -1.334 -3.708 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.602 -0.633 -4.761 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.847 -0.302 -3.121 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.095 0.048 -3.648 1.00 0.00 C ATOM 1063 OH TYR A 76 7.819 1.054 -3.077 1.00 0.00 O ATOM 0 H TYR A 76 4.076 -5.139 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 76 6.322 -4.563 -4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.908 -3.065 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.754 -2.983 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.249 -2.191 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.141 -1.604 -3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.566 -0.363 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.457 0.223 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 76 8.772 0.913 -3.256 1.00 0.00 H new ATOM 1073 N ALA A 77 3.391 -5.022 -3.488 1.00 0.00 N ATOM 1074 CA ALA A 77 2.768 -5.308 -2.211 1.00 0.00 C ATOM 1075 C ALA A 77 3.492 -6.462 -1.532 1.00 0.00 C ATOM 1076 O ALA A 77 3.983 -6.317 -0.415 1.00 0.00 O ATOM 1077 CB ALA A 77 1.296 -5.647 -2.429 1.00 0.00 C ATOM 0 H ALA A 77 2.743 -4.997 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 77 2.834 -4.433 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.826 -5.862 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.793 -4.801 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.216 -6.520 -3.076 1.00 0.00 H new ATOM 1083 N SER A 78 3.557 -7.610 -2.210 1.00 0.00 N ATOM 1084 CA SER A 78 4.220 -8.780 -1.669 1.00 0.00 C ATOM 1085 C SER A 78 5.623 -8.411 -1.209 1.00 0.00 C ATOM 1086 O SER A 78 6.017 -8.734 -0.090 1.00 0.00 O ATOM 1087 CB SER A 78 4.269 -9.873 -2.732 1.00 0.00 C ATOM 1088 OG SER A 78 3.050 -9.893 -3.442 1.00 0.00 O ATOM 0 H SER A 78 3.154 -7.746 -3.137 1.00 0.00 H new ATOM 0 HA SER A 78 3.664 -9.153 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.098 -9.693 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.446 -10.842 -2.265 1.00 0.00 H new ATOM 0 HG SER A 78 3.176 -9.475 -4.320 1.00 0.00 H new ATOM 1094 N SER A 79 6.378 -7.731 -2.075 1.00 0.00 N ATOM 1095 CA SER A 79 7.730 -7.322 -1.752 1.00 0.00 C ATOM 1096 C SER A 79 7.724 -6.469 -0.492 1.00 0.00 C ATOM 1097 O SER A 79 8.657 -6.530 0.306 1.00 0.00 O ATOM 1098 CB SER A 79 8.319 -6.547 -2.927 1.00 0.00 C ATOM 1099 OG SER A 79 9.624 -6.123 -2.602 1.00 0.00 O ATOM 0 H SER A 79 6.067 -7.455 -3.006 1.00 0.00 H new ATOM 0 HA SER A 79 8.347 -8.202 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.340 -7.176 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.692 -5.686 -3.160 1.00 0.00 H new ATOM 0 HG SER A 79 9.626 -5.154 -2.456 1.00 0.00 H new ATOM 1105 N MET A 80 6.668 -5.672 -0.313 1.00 0.00 N ATOM 1106 CA MET A 80 6.550 -4.812 0.848 1.00 0.00 C ATOM 1107 C MET A 80 6.487 -5.656 2.113 1.00 0.00 C ATOM 1108 O MET A 80 7.205 -5.391 3.075 1.00 0.00 O ATOM 1109 CB MET A 80 5.299 -3.948 0.714 1.00 0.00 C ATOM 1110 CG MET A 80 5.699 -2.475 0.691 1.00 0.00 C ATOM 1111 SD MET A 80 4.301 -1.332 0.814 1.00 0.00 S ATOM 1112 CE MET A 80 3.514 -1.996 2.303 1.00 0.00 C ATOM 0 H MET A 80 5.885 -5.610 -0.964 1.00 0.00 H new ATOM 0 HA MET A 80 7.422 -4.161 0.912 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.763 -4.205 -0.200 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.621 -4.139 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.386 -2.283 1.515 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.242 -2.271 -0.232 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.991 -1.195 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.802 -2.772 2.023 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.275 -2.420 2.958 1.00 0.00 H new ATOM 1122 N LEU A 81 5.626 -6.676 2.110 1.00 0.00 N ATOM 1123 CA LEU A 81 5.474 -7.553 3.253 1.00 0.00 C ATOM 1124 C LEU A 81 6.769 -8.317 3.494 1.00 0.00 C ATOM 1125 O LEU A 81 7.217 -8.440 4.632 1.00 0.00 O ATOM 1126 CB LEU A 81 4.317 -8.517 3.005 1.00 0.00 C ATOM 1127 CG LEU A 81 3.801 -9.047 4.340 1.00 0.00 C ATOM 1128 CD1 LEU A 81 3.290 -10.473 4.158 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.934 -9.039 5.362 1.00 0.00 C ATOM 0 H LEU A 81 5.024 -6.909 1.320 1.00 0.00 H new ATOM 0 HA LEU A 81 5.253 -6.962 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.515 -8.009 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.647 -9.344 2.376 1.00 0.00 H new ATOM 0 HG LEU A 81 2.988 -8.412 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.921 -10.852 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.481 -10.479 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.102 -11.108 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.566 -9.417 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.747 -9.674 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.299 -8.020 5.492 1.00 0.00 H new ATOM 1141 N LYS A 82 7.370 -8.830 2.418 1.00 0.00 N ATOM 1142 CA LYS A 82 8.608 -9.577 2.520 1.00 0.00 C ATOM 1143 C LYS A 82 9.677 -8.720 3.181 1.00 0.00 C ATOM 1144 O LYS A 82 10.496 -9.225 3.946 1.00 0.00 O ATOM 1145 CB LYS A 82 9.052 -10.015 1.127 1.00 0.00 C ATOM 1146 CG LYS A 82 8.518 -11.416 0.841 1.00 0.00 C ATOM 1147 CD LYS A 82 7.004 -11.433 1.029 1.00 0.00 C ATOM 1148 CE LYS A 82 6.655 -12.236 2.279 1.00 0.00 C ATOM 1149 NZ LYS A 82 6.701 -13.681 2.007 1.00 0.00 N ATOM 0 H LYS A 82 7.012 -8.737 1.468 1.00 0.00 H new ATOM 0 HA LYS A 82 8.452 -10.464 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.683 -9.314 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.140 -10.008 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.772 -11.713 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.986 -12.138 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.627 -10.414 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.523 -11.873 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.353 -11.991 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.660 -11.959 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.799 -14.200 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.823 -13.973 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.514 -13.893 1.393 1.00 0.00 H new ATOM 1163 N HIS A 83 9.670 -7.418 2.886 1.00 0.00 N ATOM 1164 CA HIS A 83 10.640 -6.502 3.452 1.00 0.00 C ATOM 1165 C HIS A 83 10.485 -6.452 4.966 1.00 0.00 C ATOM 1166 O HIS A 83 11.403 -6.043 5.673 1.00 0.00 O ATOM 1167 CB HIS A 83 10.447 -5.117 2.843 1.00 0.00 C ATOM 1168 CG HIS A 83 11.663 -4.635 2.100 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.667 -3.818 0.992 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.964 -4.930 2.405 1.00 0.00 C ATOM 1171 CE1 HIS A 83 12.951 -3.628 0.640 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.779 -4.284 1.470 1.00 0.00 N ATOM 0 H HIS A 83 8.998 -6.981 2.255 1.00 0.00 H new ATOM 0 HA HIS A 83 11.648 -6.849 3.223 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.596 -5.139 2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.205 -4.407 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.301 -5.551 3.222 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.273 -3.028 -0.198 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.798 -4.306 1.427 1.00 0.00 H new ATOM 1180 N GLY A 84 9.318 -6.868 5.463 1.00 0.00 N ATOM 1181 CA GLY A 84 9.053 -6.866 6.887 1.00 0.00 C ATOM 1182 C GLY A 84 8.235 -5.641 7.270 1.00 0.00 C ATOM 1183 O GLY A 84 8.119 -5.312 8.449 1.00 0.00 O ATOM 0 H GLY A 84 8.545 -7.210 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.515 -7.772 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.993 -6.871 7.439 1.00 0.00 H new ATOM 1187 N PHE A 85 7.666 -4.965 6.269 1.00 0.00 N ATOM 1188 CA PHE A 85 6.863 -3.782 6.507 1.00 0.00 C ATOM 1189 C PHE A 85 5.445 -4.187 6.883 1.00 0.00 C ATOM 1190 O PHE A 85 4.579 -3.333 7.059 1.00 0.00 O ATOM 1191 CB PHE A 85 6.863 -2.909 5.256 1.00 0.00 C ATOM 1192 CG PHE A 85 8.163 -2.173 5.034 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.635 -1.279 6.002 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.897 -2.387 3.861 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.842 -0.599 5.797 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.103 -1.706 3.656 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.575 -0.812 4.624 1.00 0.00 C ATOM 0 H PHE A 85 7.752 -5.224 5.286 1.00 0.00 H new ATOM 0 HA PHE A 85 7.286 -3.211 7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.655 -3.533 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.052 -2.184 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.069 -1.114 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.533 -3.077 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.207 0.090 6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.669 -1.870 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.505 -0.286 4.466 1.00 0.00 H new ATOM 1207 N LEU A 86 5.209 -5.496 7.007 1.00 0.00 N ATOM 1208 CA LEU A 86 3.900 -6.007 7.361 1.00 0.00 C ATOM 1209 C LEU A 86 4.048 -7.254 8.221 1.00 0.00 C ATOM 1210 O LEU A 86 4.997 -8.017 8.054 1.00 0.00 O ATOM 1211 CB LEU A 86 3.115 -6.317 6.090 1.00 0.00 C ATOM 1212 CG LEU A 86 2.383 -5.061 5.625 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.368 -5.016 4.100 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.950 -5.084 6.149 1.00 0.00 C ATOM 0 H LEU A 86 5.917 -6.217 6.865 1.00 0.00 H new ATOM 0 HA LEU A 86 3.356 -5.257 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.790 -6.667 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.401 -7.119 6.277 1.00 0.00 H new ATOM 0 HG LEU A 86 2.895 -4.179 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.845 -4.119 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.392 -4.999 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.856 -5.898 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.427 -4.187 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.437 -5.966 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.961 -5.115 7.238 1.00 0.00 H new ATOM 1226 N ARG A 87 3.104 -7.460 9.143 1.00 0.00 N ATOM 1227 CA ARG A 87 3.134 -8.610 10.023 1.00 0.00 C ATOM 1228 C ARG A 87 1.735 -8.890 10.553 1.00 0.00 C ATOM 1229 O ARG A 87 0.930 -7.973 10.702 1.00 0.00 O ATOM 1230 CB ARG A 87 4.104 -8.346 11.171 1.00 0.00 C ATOM 1231 CG ARG A 87 5.515 -8.743 10.747 1.00 0.00 C ATOM 1232 CD ARG A 87 6.404 -7.503 10.713 1.00 0.00 C ATOM 1233 NE ARG A 87 7.806 -7.868 10.511 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.822 -7.093 10.914 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.575 -5.930 11.531 1.00 0.00 N ATOM 1236 NH2 ARG A 87 10.087 -7.481 10.700 1.00 0.00 N ATOM 0 H ARG A 87 2.310 -6.837 9.292 1.00 0.00 H new ATOM 0 HA ARG A 87 3.474 -9.486 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.079 -7.292 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.804 -8.914 12.052 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.922 -9.477 11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.492 -9.214 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.078 -6.840 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.299 -6.950 11.647 1.00 0.00 H new ATOM 0 HE ARG A 87 8.019 -8.749 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.613 -5.634 11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.349 -5.341 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.276 -8.366 10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.860 -6.891 11.007 1.00 0.00 H new ATOM 1250 N HIS A 88 1.444 -10.161 10.840 1.00 0.00 N ATOM 1251 CA HIS A 88 0.144 -10.550 11.349 1.00 0.00 C ATOM 1252 C HIS A 88 0.109 -12.052 11.593 1.00 0.00 C ATOM 1253 O HIS A 88 1.125 -12.650 11.941 1.00 0.00 O ATOM 1254 CB HIS A 88 -0.935 -10.139 10.351 1.00 0.00 C ATOM 1255 CG HIS A 88 -2.194 -9.662 11.022 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -3.448 -10.210 10.877 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -2.297 -8.605 11.885 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -4.289 -9.491 11.642 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -3.636 -8.503 12.276 1.00 0.00 N ATOM 0 H HIS A 88 2.099 -10.934 10.725 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.043 -10.046 12.297 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.548 -9.348 9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.170 -10.986 9.707 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.694 -11.012 10.297 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.489 -7.964 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.348 -9.683 11.734 1.00 0.00 H new ATOM 1267 N THR A 89 -1.064 -12.661 11.410 1.00 0.00 N ATOM 1268 CA THR A 89 -1.221 -14.088 11.611 1.00 0.00 C ATOM 1269 C THR A 89 0.018 -14.820 11.116 1.00 0.00 C ATOM 1270 O THR A 89 0.382 -15.864 11.654 1.00 0.00 O ATOM 1271 CB THR A 89 -2.465 -14.571 10.872 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.343 -14.272 9.500 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.697 -13.869 11.437 1.00 0.00 C ATOM 0 H THR A 89 -1.916 -12.180 11.122 1.00 0.00 H new ATOM 0 HA THR A 89 -1.341 -14.297 12.674 1.00 0.00 H new ATOM 0 HB THR A 89 -2.568 -15.648 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.142 -14.584 9.025 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.586 -14.214 10.909 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.793 -14.100 12.498 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.593 -12.792 11.308 1.00 0.00 H new ATOM 1281 N VAL A 90 0.666 -14.270 10.087 1.00 0.00 N ATOM 1282 CA VAL A 90 1.859 -14.871 9.525 1.00 0.00 C ATOM 1283 C VAL A 90 2.922 -15.012 10.605 1.00 0.00 C ATOM 1284 O VAL A 90 3.207 -14.059 11.326 1.00 0.00 O ATOM 1285 CB VAL A 90 2.368 -14.007 8.374 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.197 -13.606 7.482 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.034 -12.754 8.935 1.00 0.00 C ATOM 0 H VAL A 90 0.376 -13.405 9.630 1.00 0.00 H new ATOM 0 HA VAL A 90 1.626 -15.864 9.141 1.00 0.00 H new ATOM 0 HB VAL A 90 3.093 -14.572 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.560 -12.989 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.722 -14.501 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.471 -13.041 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.398 -12.137 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.310 -12.188 9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.871 -13.041 9.572 1.00 0.00 H new ATOM 1297 N ASN A 91 3.509 -16.206 10.714 1.00 0.00 N ATOM 1298 CA ASN A 91 4.537 -16.463 11.704 1.00 0.00 C ATOM 1299 C ASN A 91 5.533 -15.313 11.728 1.00 0.00 C ATOM 1300 O ASN A 91 5.820 -14.759 12.786 1.00 0.00 O ATOM 1301 CB ASN A 91 5.237 -17.779 11.377 1.00 0.00 C ATOM 1302 CG ASN A 91 5.598 -17.850 9.900 1.00 0.00 C ATOM 1303 OD1 ASN A 91 4.716 -17.884 9.045 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.899 -17.871 9.602 1.00 0.00 N ATOM 0 H ASN A 91 3.284 -17.007 10.124 1.00 0.00 H new ATOM 0 HA ASN A 91 4.084 -16.542 12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.139 -17.875 11.981 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.588 -18.615 11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.198 -17.917 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.594 -17.841 10.348 1.00 0.00 H new ATOM 1311 N LYS A 92 6.062 -14.956 10.555 1.00 0.00 N ATOM 1312 CA LYS A 92 7.022 -13.875 10.449 1.00 0.00 C ATOM 1313 C LYS A 92 6.553 -12.866 9.410 1.00 0.00 C ATOM 1314 O LYS A 92 6.386 -11.688 9.716 1.00 0.00 O ATOM 1315 CB LYS A 92 8.387 -14.444 10.072 1.00 0.00 C ATOM 1316 CG LYS A 92 9.477 -13.447 10.458 1.00 0.00 C ATOM 1317 CD LYS A 92 10.766 -14.199 10.776 1.00 0.00 C ATOM 1318 CE LYS A 92 11.228 -14.963 9.539 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.208 -14.180 8.770 1.00 0.00 N ATOM 0 H LYS A 92 5.836 -15.406 9.668 1.00 0.00 H new ATOM 0 HA LYS A 92 7.107 -13.364 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.551 -15.394 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.426 -14.646 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.646 -12.743 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.161 -12.864 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.539 -13.499 11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.602 -14.890 11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.671 -15.913 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.369 -15.196 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.506 -14.722 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.775 -13.285 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.036 -13.979 9.366 1.00 0.00 H new ATOM 1333 N ILE A 93 6.342 -13.333 8.177 1.00 0.00 N ATOM 1334 CA ILE A 93 5.893 -12.474 7.099 1.00 0.00 C ATOM 1335 C ILE A 93 4.984 -13.257 6.161 1.00 0.00 C ATOM 1336 O ILE A 93 3.767 -13.096 6.196 1.00 0.00 O ATOM 1337 CB ILE A 93 7.103 -11.926 6.348 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.222 -12.964 6.358 1.00 0.00 C ATOM 1339 CG2 ILE A 93 7.588 -10.649 7.029 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.871 -13.026 4.979 1.00 0.00 C ATOM 0 H ILE A 93 6.478 -14.307 7.908 1.00 0.00 H new ATOM 0 HA ILE A 93 5.327 -11.637 7.507 1.00 0.00 H new ATOM 0 HB ILE A 93 6.822 -11.705 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.966 -12.704 7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.823 -13.942 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.452 -10.257 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.789 -9.907 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.869 -10.870 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.670 -13.767 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.123 -13.306 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.284 -12.049 4.727 1.00 0.00 H new ATOM 1352 N THR A 94 5.579 -14.107 5.321 1.00 0.00 N ATOM 1353 CA THR A 94 4.818 -14.907 4.383 1.00 0.00 C ATOM 1354 C THR A 94 3.626 -14.112 3.870 1.00 0.00 C ATOM 1355 O THR A 94 2.558 -14.127 4.479 1.00 0.00 O ATOM 1356 CB THR A 94 4.358 -16.191 5.067 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.290 -15.900 5.941 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.516 -16.788 5.860 1.00 0.00 C ATOM 0 H THR A 94 6.588 -14.253 5.278 1.00 0.00 H new ATOM 0 HA THR A 94 5.446 -15.169 3.531 1.00 0.00 H new ATOM 0 HB THR A 94 4.027 -16.906 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.977 -14.985 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.188 -17.705 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.342 -17.012 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.847 -16.074 6.614 1.00 0.00 H new ATOM 1366 N PHE A 95 3.810 -13.415 2.746 1.00 0.00 N ATOM 1367 CA PHE A 95 2.750 -12.620 2.159 1.00 0.00 C ATOM 1368 C PHE A 95 1.567 -13.512 1.811 1.00 0.00 C ATOM 1369 O PHE A 95 1.628 -14.726 1.992 1.00 0.00 O ATOM 1370 CB PHE A 95 3.278 -11.911 0.915 1.00 0.00 C ATOM 1371 CG PHE A 95 2.380 -10.798 0.429 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.224 -9.638 1.198 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.700 -10.928 -0.788 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.390 -8.608 0.749 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.866 -9.897 -1.237 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.711 -8.737 -0.469 1.00 0.00 C ATOM 0 H PHE A 95 4.689 -13.391 2.229 1.00 0.00 H new ATOM 0 HA PHE A 95 2.414 -11.869 2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.265 -11.503 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.403 -12.641 0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.747 -9.538 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.819 -11.823 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.270 -7.713 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.342 -9.997 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.068 -7.942 -0.816 1.00 0.00 H new ATOM 1386 N SER A 96 0.488 -12.906 1.311 1.00 0.00 N ATOM 1387 CA SER A 96 -0.701 -13.648 0.940 1.00 0.00 C ATOM 1388 C SER A 96 -1.668 -12.737 0.197 1.00 0.00 C ATOM 1389 O SER A 96 -1.903 -12.918 -0.996 1.00 0.00 O ATOM 1390 CB SER A 96 -1.354 -14.221 2.194 1.00 0.00 C ATOM 1391 OG SER A 96 -0.711 -15.425 2.550 1.00 0.00 O ATOM 0 H SER A 96 0.421 -11.900 1.156 1.00 0.00 H new ATOM 0 HA SER A 96 -0.429 -14.471 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.286 -13.504 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.414 -14.401 2.015 1.00 0.00 H new ATOM 0 HG SER A 96 0.136 -15.500 2.063 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.228 -11.753 0.905 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.163 -10.821 0.308 1.00 0.00 C ATOM 1399 C GLU A 97 -4.571 -11.396 0.354 1.00 0.00 C ATOM 1400 O GLU A 97 -5.430 -11.006 -0.435 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.743 -10.534 -1.131 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.332 -9.199 -1.576 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.171 -9.367 -2.834 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.036 -8.503 -3.727 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.933 -10.358 -2.880 1.00 0.00 O ATOM 0 H GLU A 97 -2.044 -11.588 1.895 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.158 -9.887 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.656 -10.507 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.088 -11.333 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.947 -8.784 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.528 -8.487 -1.763 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.808 -12.325 1.283 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.108 -12.948 1.427 1.00 0.00 C ATOM 1415 C GLN A 98 -6.783 -12.447 2.697 1.00 0.00 C ATOM 1416 O GLN A 98 -7.776 -11.727 2.632 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.943 -14.464 1.464 1.00 0.00 C ATOM 1418 CG GLN A 98 -5.708 -14.986 0.049 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.970 -14.859 -0.792 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -8.064 -15.166 -0.323 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -6.816 -14.407 -2.038 1.00 0.00 N ATOM 0 H GLN A 98 -4.107 -12.658 1.945 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.738 -12.685 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.105 -14.733 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.833 -14.927 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -4.897 -14.428 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.396 -16.030 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.887 -14.165 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.628 -14.303 -2.647 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.239 -12.833 3.853 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.783 -12.425 5.133 1.00 0.00 C ATOM 1432 C CYS A 99 -6.537 -10.937 5.340 1.00 0.00 C ATOM 1433 O CYS A 99 -6.810 -10.132 4.453 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.134 -13.242 6.246 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.294 -15.000 5.845 1.00 0.00 S ATOM 0 H CYS A 99 -5.416 -13.432 3.920 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.858 -12.604 5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.083 -12.972 6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -6.613 -13.027 7.201 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.743 -15.711 6.784 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.021 -10.572 6.516 1.00 0.00 N ATOM 1442 CA TYR A 100 -5.745 -9.185 6.830 1.00 0.00 C ATOM 1443 C TYR A 100 -4.550 -9.096 7.768 1.00 0.00 C ATOM 1444 O TYR A 100 -4.482 -9.818 8.761 1.00 0.00 O ATOM 1445 CB TYR A 100 -6.980 -8.553 7.467 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.860 -7.824 6.480 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -7.612 -6.479 6.182 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -8.924 -8.493 5.863 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.427 -5.802 5.267 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.740 -7.816 4.948 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.491 -6.471 4.650 1.00 0.00 C ATOM 1452 OH TYR A 100 -10.286 -5.812 3.758 1.00 0.00 O ATOM 0 H TYR A 100 -5.788 -11.227 7.263 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.505 -8.642 5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.565 -9.331 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.663 -7.856 8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.791 -5.963 6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.115 -9.531 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.235 -4.764 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.561 -8.331 4.472 1.00 0.00 H new ATOM 0 HH TYR A 100 -10.976 -6.422 3.422 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.605 -8.207 7.452 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.419 -8.032 8.267 1.00 0.00 C ATOM 1464 C TYR A 101 -2.372 -6.610 8.809 1.00 0.00 C ATOM 1465 O TYR A 101 -3.310 -5.839 8.620 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.180 -8.333 7.430 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.059 -9.785 7.033 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.865 -10.749 7.650 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.140 -10.168 6.048 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.753 -12.095 7.283 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.028 -11.514 5.681 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.834 -12.478 6.298 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.724 -13.789 5.940 1.00 0.00 O ATOM 0 H TYR A 101 -3.646 -7.600 6.634 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.447 -8.721 9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.202 -7.719 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.292 -8.043 7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.574 -10.454 8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.482 -9.425 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.375 -12.838 7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.681 -11.809 4.921 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.165 -14.350 6.612 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.274 -6.265 9.486 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.109 -4.941 10.051 1.00 0.00 C ATOM 1485 C VAL A 102 0.356 -4.532 9.987 1.00 0.00 C ATOM 1486 O VAL A 102 1.235 -5.304 10.365 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.608 -4.938 11.493 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.435 -4.692 12.437 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.645 -3.832 11.670 1.00 0.00 C ATOM 0 H VAL A 102 -0.488 -6.893 9.652 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.693 -4.221 9.477 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.062 -5.902 11.722 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.791 -4.690 13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.305 -5.482 12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.020 -3.728 12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.002 -3.829 12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.191 -2.868 11.441 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.483 -4.008 10.996 1.00 0.00 H new ATOM 1499 N PHE A 103 0.618 -3.315 9.506 1.00 0.00 N ATOM 1500 CA PHE A 103 1.973 -2.813 9.397 1.00 0.00 C ATOM 1501 C PHE A 103 2.799 -3.293 10.582 1.00 0.00 C ATOM 1502 O PHE A 103 2.251 -3.613 11.634 1.00 0.00 O ATOM 1503 CB PHE A 103 1.947 -1.289 9.337 1.00 0.00 C ATOM 1504 CG PHE A 103 1.173 -0.655 10.469 1.00 0.00 C ATOM 1505 CD1 PHE A 103 -0.214 -0.496 10.366 1.00 0.00 C ATOM 1506 CD2 PHE A 103 1.844 -0.223 11.619 1.00 0.00 C ATOM 1507 CE1 PHE A 103 -0.931 0.093 11.414 1.00 0.00 C ATOM 1508 CE2 PHE A 103 1.127 0.367 12.667 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.261 0.525 12.564 1.00 0.00 C ATOM 0 H PHE A 103 -0.099 -2.663 9.187 1.00 0.00 H new ATOM 0 HA PHE A 103 2.432 -3.191 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.971 -0.915 9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.509 -0.978 8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.731 -0.828 9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.914 -0.345 11.698 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.001 0.214 11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.644 0.700 13.555 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.814 0.980 13.372 1.00 0.00 H new ATOM 1519 N GLY A 104 4.122 -3.344 10.410 1.00 0.00 N ATOM 1520 CA GLY A 104 5.010 -3.784 11.466 1.00 0.00 C ATOM 1521 C GLY A 104 4.860 -2.890 12.689 1.00 0.00 C ATOM 1522 O GLY A 104 3.925 -2.096 12.770 1.00 0.00 O ATOM 0 H GLY A 104 4.594 -3.084 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.786 -4.817 11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.042 -3.762 11.115 1.00 0.00 H new ATOM 1526 N ASP A 105 5.785 -3.020 13.643 1.00 0.00 N ATOM 1527 CA ASP A 105 5.751 -2.227 14.855 1.00 0.00 C ATOM 1528 C ASP A 105 4.485 -2.540 15.639 1.00 0.00 C ATOM 1529 O ASP A 105 3.457 -1.895 15.445 1.00 0.00 O ATOM 1530 CB ASP A 105 5.811 -0.745 14.493 1.00 0.00 C ATOM 1531 CG ASP A 105 7.080 -0.104 15.036 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.135 -0.303 14.396 1.00 0.00 O ATOM 1533 OD2 ASP A 105 6.972 0.572 16.082 1.00 0.00 O ATOM 0 H ASP A 105 6.567 -3.673 13.590 1.00 0.00 H new ATOM 0 HA ASP A 105 6.611 -2.470 15.479 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.775 -0.629 13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.938 -0.232 14.897 1.00 0.00 H new