USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0.158 (180deg=0.0526) USER MOD Single : A 11 MET CE :methyl -124:sc= -1.43 (180deg=-4.16!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0853 USER MOD Single : A 21 SER OG : rot 128:sc= 0.749 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -17:sc= 0.943 USER MOD Single : A 47 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.24) USER MOD Single : A 61 TYR OH : rot 67:sc= 0.433 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -111:sc= -4.33! (180deg=-9.78!) USER MOD Single : A 72 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-4.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.861 -2.701 2.123 1.00 0.00 N ATOM 63 CA LEU A 8 13.041 -1.504 2.208 1.00 0.00 C ATOM 64 C LEU A 8 11.775 -1.697 1.370 1.00 0.00 C ATOM 65 O LEU A 8 10.663 -1.571 1.880 1.00 0.00 O ATOM 66 CB LEU A 8 13.854 -0.268 1.819 1.00 0.00 C ATOM 67 CG LEU A 8 14.541 0.472 2.967 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.192 1.766 2.474 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.566 0.724 4.119 1.00 0.00 C ATOM 0 HA LEU A 8 12.720 -1.335 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.616 -0.570 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.193 0.431 1.307 1.00 0.00 H new ATOM 0 HG LEU A 8 15.338 -0.163 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.673 2.273 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.937 1.532 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.430 2.417 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.080 1.252 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.732 1.329 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.191 -0.229 4.493 1.00 0.00 H new ATOM 80 N ARG A 9 11.987 -2.001 0.097 1.00 0.00 N ATOM 81 CA ARG A 9 10.877 -2.212 -0.816 1.00 0.00 C ATOM 82 C ARG A 9 10.095 -3.466 -0.419 1.00 0.00 C ATOM 83 O ARG A 9 8.872 -3.501 -0.535 1.00 0.00 O ATOM 84 CB ARG A 9 11.370 -2.361 -2.256 1.00 0.00 C ATOM 85 CG ARG A 9 10.216 -2.707 -3.199 1.00 0.00 C ATOM 86 CD ARG A 9 10.731 -3.363 -4.480 1.00 0.00 C ATOM 87 NE ARG A 9 11.009 -4.797 -4.238 1.00 0.00 N ATOM 88 CZ ARG A 9 12.212 -5.284 -3.910 1.00 0.00 C ATOM 89 NH1 ARG A 9 13.258 -4.457 -3.783 1.00 0.00 N ATOM 90 NH2 ARG A 9 12.371 -6.600 -3.710 1.00 0.00 N ATOM 0 H ARG A 9 12.911 -2.106 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 9 10.226 -1.340 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.843 -1.434 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.130 -3.141 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.521 -3.379 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.661 -1.802 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.993 -3.256 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.637 -2.860 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 9 10.235 -5.455 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.138 -3.456 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.174 -4.829 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.575 -7.231 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.288 -6.971 -3.460 1.00 0.00 H new ATOM 101 N LYS A 10 10.834 -4.465 0.040 1.00 0.00 N ATOM 102 CA LYS A 10 10.226 -5.718 0.455 1.00 0.00 C ATOM 103 C LYS A 10 9.283 -5.457 1.631 1.00 0.00 C ATOM 104 O LYS A 10 8.296 -6.169 1.809 1.00 0.00 O ATOM 105 CB LYS A 10 11.301 -6.765 0.748 1.00 0.00 C ATOM 106 CG LYS A 10 10.728 -7.928 1.561 1.00 0.00 C ATOM 107 CD LYS A 10 9.501 -8.526 0.871 1.00 0.00 C ATOM 108 CE LYS A 10 8.390 -8.818 1.883 1.00 0.00 C ATOM 109 NZ LYS A 10 7.060 -8.663 1.252 1.00 0.00 N ATOM 0 H LYS A 10 11.849 -4.432 0.134 1.00 0.00 H new ATOM 0 HA LYS A 10 9.622 -6.134 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.713 -7.140 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.123 -6.304 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.489 -8.698 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.456 -7.581 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.134 -7.836 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.781 -9.446 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.500 -9.831 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.477 -8.141 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.334 -9.086 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.855 -7.652 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.056 -9.141 0.329 1.00 0.00 H new ATOM 119 N MET A 11 9.621 -4.435 2.403 1.00 0.00 N ATOM 120 CA MET A 11 8.817 -4.072 3.558 1.00 0.00 C ATOM 121 C MET A 11 7.514 -3.394 3.127 1.00 0.00 C ATOM 122 O MET A 11 6.431 -3.809 3.534 1.00 0.00 O ATOM 123 CB MET A 11 9.614 -3.123 4.456 1.00 0.00 C ATOM 124 CG MET A 11 10.525 -3.904 5.406 1.00 0.00 C ATOM 125 SD MET A 11 10.287 -3.338 7.082 1.00 0.00 S ATOM 126 CE MET A 11 11.107 -1.755 6.994 1.00 0.00 C ATOM 0 H MET A 11 10.440 -3.847 2.252 1.00 0.00 H new ATOM 0 HA MET A 11 8.568 -4.981 4.105 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.214 -2.452 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.929 -2.501 5.032 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.306 -4.970 5.339 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.567 -3.773 5.114 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.884 -1.705 7.757 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.558 -1.633 6.009 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.381 -0.959 7.162 1.00 0.00 H new ATOM 134 N VAL A 12 7.664 -2.362 2.311 1.00 0.00 N ATOM 135 CA VAL A 12 6.513 -1.622 1.821 1.00 0.00 C ATOM 136 C VAL A 12 5.711 -2.510 0.868 1.00 0.00 C ATOM 137 O VAL A 12 4.533 -2.254 0.619 1.00 0.00 O ATOM 138 CB VAL A 12 6.968 -0.311 1.178 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.212 -0.528 0.314 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.838 0.322 0.362 1.00 0.00 C ATOM 0 H VAL A 12 8.565 -2.020 1.976 1.00 0.00 H new ATOM 0 HA VAL A 12 5.853 -1.351 2.645 1.00 0.00 H new ATOM 0 HB VAL A 12 7.231 0.381 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.515 0.419 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.022 -0.913 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.986 -1.245 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.189 1.253 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.530 -0.365 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.990 0.529 1.015 1.00 0.00 H new ATOM 150 N GLU A 13 6.380 -3.533 0.358 1.00 0.00 N ATOM 151 CA GLU A 13 5.744 -4.459 -0.563 1.00 0.00 C ATOM 152 C GLU A 13 4.527 -5.112 0.096 1.00 0.00 C ATOM 153 O GLU A 13 3.475 -5.245 -0.528 1.00 0.00 O ATOM 154 CB GLU A 13 6.737 -5.516 -1.050 1.00 0.00 C ATOM 155 CG GLU A 13 7.589 -4.980 -2.202 1.00 0.00 C ATOM 156 CD GLU A 13 7.125 -5.558 -3.541 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.935 -5.355 -3.865 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.972 -6.188 -4.210 1.00 0.00 O ATOM 0 H GLU A 13 7.357 -3.741 0.565 1.00 0.00 H new ATOM 0 HA GLU A 13 5.404 -3.899 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.383 -5.820 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.197 -6.405 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.526 -3.892 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.635 -5.235 -2.035 1.00 0.00 H new ATOM 163 N GLU A 14 4.710 -5.501 1.349 1.00 0.00 N ATOM 164 CA GLU A 14 3.640 -6.136 2.099 1.00 0.00 C ATOM 165 C GLU A 14 2.655 -5.084 2.612 1.00 0.00 C ATOM 166 O GLU A 14 1.446 -5.312 2.619 1.00 0.00 O ATOM 167 CB GLU A 14 4.200 -6.971 3.252 1.00 0.00 C ATOM 168 CG GLU A 14 4.402 -6.114 4.504 1.00 0.00 C ATOM 169 CD GLU A 14 5.303 -6.824 5.516 1.00 0.00 C ATOM 170 OE1 GLU A 14 4.750 -7.604 6.321 1.00 0.00 O ATOM 171 OE2 GLU A 14 6.526 -6.572 5.461 1.00 0.00 O ATOM 0 H GLU A 14 5.583 -5.389 1.864 1.00 0.00 H new ATOM 0 HA GLU A 14 3.105 -6.811 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.519 -7.792 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.149 -7.417 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.845 -5.157 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.436 -5.898 4.961 1.00 0.00 H new ATOM 176 N VAL A 15 3.208 -3.955 3.030 1.00 0.00 N ATOM 177 CA VAL A 15 2.393 -2.868 3.543 1.00 0.00 C ATOM 178 C VAL A 15 1.201 -2.644 2.611 1.00 0.00 C ATOM 179 O VAL A 15 0.075 -3.013 2.939 1.00 0.00 O ATOM 180 CB VAL A 15 3.251 -1.613 3.729 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.377 -0.389 4.008 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.285 -1.815 4.839 1.00 0.00 C ATOM 0 H VAL A 15 4.211 -3.770 3.024 1.00 0.00 H new ATOM 0 HA VAL A 15 1.994 -3.122 4.525 1.00 0.00 H new ATOM 0 HB VAL A 15 3.790 -1.434 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.010 0.489 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.699 -0.228 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.798 -0.555 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.881 -0.909 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.774 -2.031 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.938 -2.649 4.581 1.00 0.00 H new ATOM 192 N PHE A 16 1.491 -2.043 1.467 1.00 0.00 N ATOM 193 CA PHE A 16 0.456 -1.766 0.484 1.00 0.00 C ATOM 194 C PHE A 16 -0.483 -2.964 0.325 1.00 0.00 C ATOM 195 O PHE A 16 -1.679 -2.794 0.093 1.00 0.00 O ATOM 196 CB PHE A 16 1.161 -1.506 -0.847 1.00 0.00 C ATOM 197 CG PHE A 16 1.764 -0.105 -0.970 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.087 0.970 -0.484 1.00 0.00 C ATOM 199 CD2 PHE A 16 2.975 0.065 -1.563 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.646 2.271 -0.597 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.534 1.367 -1.677 1.00 0.00 C ATOM 202 CZ PHE A 16 2.857 2.441 -1.191 1.00 0.00 C ATOM 0 H PHE A 16 2.427 -1.740 1.198 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.140 -0.911 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.953 -2.244 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.449 -1.656 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.125 0.834 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.513 -0.789 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.109 3.125 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.496 1.503 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.282 3.430 -1.277 1.00 0.00 H new ATOM 211 N ASP A 17 0.095 -4.150 0.455 1.00 0.00 N ATOM 212 CA ASP A 17 -0.675 -5.376 0.328 1.00 0.00 C ATOM 213 C ASP A 17 -1.619 -5.506 1.525 1.00 0.00 C ATOM 214 O ASP A 17 -2.835 -5.562 1.358 1.00 0.00 O ATOM 215 CB ASP A 17 0.241 -6.602 0.311 1.00 0.00 C ATOM 216 CG ASP A 17 0.418 -7.257 -1.060 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.476 -6.496 -2.050 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.492 -8.505 -1.087 1.00 0.00 O ATOM 0 H ASP A 17 1.087 -4.288 0.647 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.232 -5.330 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.222 -6.310 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.157 -7.344 1.003 1.00 0.00 H new ATOM 222 N VAL A 18 -1.020 -5.552 2.707 1.00 0.00 N ATOM 223 CA VAL A 18 -1.793 -5.675 3.932 1.00 0.00 C ATOM 224 C VAL A 18 -2.892 -4.612 3.946 1.00 0.00 C ATOM 225 O VAL A 18 -4.059 -4.924 4.174 1.00 0.00 O ATOM 226 CB VAL A 18 -0.864 -5.592 5.146 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.602 -5.027 6.362 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.251 -6.957 5.462 1.00 0.00 C ATOM 0 H VAL A 18 -0.010 -5.506 2.842 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.283 -6.648 3.979 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.051 -4.909 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.920 -4.978 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.968 -4.026 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.444 -5.674 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.405 -6.870 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.045 -7.671 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.325 -7.304 4.605 1.00 0.00 H new ATOM 238 N LEU A 19 -2.480 -3.377 3.698 1.00 0.00 N ATOM 239 CA LEU A 19 -3.416 -2.266 3.680 1.00 0.00 C ATOM 240 C LEU A 19 -4.597 -2.614 2.771 1.00 0.00 C ATOM 241 O LEU A 19 -5.751 -2.526 3.188 1.00 0.00 O ATOM 242 CB LEU A 19 -2.702 -0.970 3.289 1.00 0.00 C ATOM 243 CG LEU A 19 -1.518 -0.565 4.169 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.114 0.887 3.910 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.823 -0.820 5.648 1.00 0.00 C ATOM 0 H LEU A 19 -1.511 -3.122 3.508 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.820 -2.093 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.349 -1.068 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.431 -0.160 3.299 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.665 -1.189 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.270 1.149 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.828 1.004 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.955 1.544 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.966 -0.524 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.695 -0.238 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.025 -1.880 5.800 1.00 0.00 H new ATOM 256 N TYR A 20 -4.268 -3.003 1.548 1.00 0.00 N ATOM 257 CA TYR A 20 -5.287 -3.366 0.579 1.00 0.00 C ATOM 258 C TYR A 20 -6.224 -4.436 1.142 1.00 0.00 C ATOM 259 O TYR A 20 -7.438 -4.244 1.185 1.00 0.00 O ATOM 260 CB TYR A 20 -4.538 -3.942 -0.624 1.00 0.00 C ATOM 261 CG TYR A 20 -5.435 -4.255 -1.824 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.370 -3.332 -2.246 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.309 -5.461 -2.484 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.214 -3.627 -3.375 1.00 0.00 C ATOM 265 CE2 TYR A 20 -6.152 -5.755 -3.612 1.00 0.00 C ATOM 266 CZ TYR A 20 -7.064 -4.824 -4.003 1.00 0.00 C ATOM 267 OH TYR A 20 -7.861 -5.101 -5.069 1.00 0.00 O ATOM 0 H TYR A 20 -3.310 -3.075 1.206 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.894 -2.499 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.769 -3.234 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.027 -4.855 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.469 -2.389 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.578 -6.184 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.950 -2.913 -3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.063 -6.694 -4.137 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.642 -5.990 -5.419 1.00 0.00 H new ATOM 276 N SER A 21 -5.625 -5.542 1.559 1.00 0.00 N ATOM 277 CA SER A 21 -6.390 -6.643 2.118 1.00 0.00 C ATOM 278 C SER A 21 -7.250 -6.146 3.281 1.00 0.00 C ATOM 279 O SER A 21 -8.402 -6.551 3.423 1.00 0.00 O ATOM 280 CB SER A 21 -5.469 -7.774 2.583 1.00 0.00 C ATOM 281 OG SER A 21 -6.190 -8.814 3.237 1.00 0.00 O ATOM 0 H SER A 21 -4.618 -5.699 1.521 1.00 0.00 H new ATOM 0 HA SER A 21 -7.040 -7.038 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.938 -8.185 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.716 -7.373 3.261 1.00 0.00 H new ATOM 0 HG SER A 21 -5.964 -9.676 2.829 1.00 0.00 H new ATOM 286 N GLU A 22 -6.656 -5.275 4.083 1.00 0.00 N ATOM 287 CA GLU A 22 -7.354 -4.718 5.230 1.00 0.00 C ATOM 288 C GLU A 22 -8.597 -3.951 4.775 1.00 0.00 C ATOM 289 O GLU A 22 -9.662 -4.078 5.374 1.00 0.00 O ATOM 290 CB GLU A 22 -6.427 -3.821 6.052 1.00 0.00 C ATOM 291 CG GLU A 22 -5.410 -4.654 6.836 1.00 0.00 C ATOM 292 CD GLU A 22 -6.078 -5.366 8.014 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.007 -4.762 8.591 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.642 -6.501 8.311 1.00 0.00 O ATOM 0 H GLU A 22 -5.700 -4.941 3.962 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.673 -5.540 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.904 -3.130 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.017 -3.217 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.950 -5.389 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.611 -4.009 7.202 1.00 0.00 H new ATOM 299 N ALA A 23 -8.418 -3.173 3.717 1.00 0.00 N ATOM 300 CA ALA A 23 -9.512 -2.385 3.174 1.00 0.00 C ATOM 301 C ALA A 23 -10.499 -3.314 2.465 1.00 0.00 C ATOM 302 O ALA A 23 -11.702 -3.051 2.447 1.00 0.00 O ATOM 303 CB ALA A 23 -8.953 -1.308 2.242 1.00 0.00 C ATOM 0 H ALA A 23 -7.532 -3.072 3.222 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.052 -1.876 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.774 -0.717 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.280 -0.657 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.407 -1.781 1.426 1.00 0.00 H new ATOM 309 N LEU A 24 -9.956 -4.382 1.897 1.00 0.00 N ATOM 310 CA LEU A 24 -10.775 -5.350 1.188 1.00 0.00 C ATOM 311 C LEU A 24 -11.501 -6.237 2.202 1.00 0.00 C ATOM 312 O LEU A 24 -12.532 -6.830 1.888 1.00 0.00 O ATOM 313 CB LEU A 24 -9.929 -6.133 0.182 1.00 0.00 C ATOM 314 CG LEU A 24 -9.979 -5.639 -1.265 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.959 -6.378 -2.132 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.397 -5.745 -1.830 1.00 0.00 C ATOM 0 H LEU A 24 -8.959 -4.597 1.914 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.541 -4.843 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.892 -6.113 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.250 -7.175 0.201 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.705 -4.584 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.015 -6.008 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.957 -6.208 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.177 -7.446 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.406 -5.388 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.722 -6.785 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.074 -5.138 -1.229 1.00 0.00 H new ATOM 327 N GLY A 25 -10.935 -6.299 3.398 1.00 0.00 N ATOM 328 CA GLY A 25 -11.516 -7.103 4.460 1.00 0.00 C ATOM 329 C GLY A 25 -11.382 -8.596 4.153 1.00 0.00 C ATOM 330 O GLY A 25 -12.229 -9.393 4.552 1.00 0.00 O ATOM 0 H GLY A 25 -10.080 -5.806 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.021 -6.876 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.568 -6.846 4.581 1.00 0.00 H new ATOM 334 N ARG A 26 -10.312 -8.928 3.447 1.00 0.00 N ATOM 335 CA ARG A 26 -10.056 -10.311 3.081 1.00 0.00 C ATOM 336 C ARG A 26 -9.394 -11.054 4.243 1.00 0.00 C ATOM 337 O ARG A 26 -9.030 -10.443 5.247 1.00 0.00 O ATOM 338 CB ARG A 26 -9.153 -10.398 1.849 1.00 0.00 C ATOM 339 CG ARG A 26 -9.889 -9.920 0.595 1.00 0.00 C ATOM 340 CD ARG A 26 -10.411 -11.106 -0.219 1.00 0.00 C ATOM 341 NE ARG A 26 -11.827 -10.883 -0.586 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.230 -10.039 -1.545 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.328 -9.332 -2.239 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.537 -9.901 -1.810 1.00 0.00 N ATOM 0 H ARG A 26 -9.612 -8.263 3.118 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.015 -10.774 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.260 -9.792 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.820 -11.426 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.721 -9.276 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.217 -9.320 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.809 -11.233 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.317 -12.025 0.360 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.541 -11.404 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.334 -9.436 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.636 -8.690 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.224 -10.439 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.844 -9.258 -2.540 1.00 0.00 H new ATOM 355 N ALA A 27 -9.258 -12.360 4.069 1.00 0.00 N ATOM 356 CA ALA A 27 -8.646 -13.192 5.091 1.00 0.00 C ATOM 357 C ALA A 27 -7.148 -13.322 4.808 1.00 0.00 C ATOM 358 O ALA A 27 -6.329 -13.219 5.720 1.00 0.00 O ATOM 359 CB ALA A 27 -9.351 -14.549 5.135 1.00 0.00 C ATOM 0 H ALA A 27 -9.561 -12.863 3.235 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.757 -12.735 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.892 -15.173 5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.406 -14.404 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.259 -15.039 4.166 1.00 0.00 H new ATOM 365 N SER A 28 -6.836 -13.547 3.540 1.00 0.00 N ATOM 366 CA SER A 28 -5.451 -13.692 3.124 1.00 0.00 C ATOM 367 C SER A 28 -4.919 -12.356 2.601 1.00 0.00 C ATOM 368 O SER A 28 -5.695 -11.481 2.218 1.00 0.00 O ATOM 369 CB SER A 28 -5.308 -14.776 2.055 1.00 0.00 C ATOM 370 OG SER A 28 -6.028 -15.958 2.393 1.00 0.00 O ATOM 0 H SER A 28 -7.519 -13.632 2.787 1.00 0.00 H new ATOM 0 HA SER A 28 -4.863 -13.995 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.668 -14.393 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.254 -15.019 1.924 1.00 0.00 H new ATOM 0 HG SER A 28 -5.913 -16.625 1.684 1.00 0.00 H new ATOM 375 N VAL A 29 -3.599 -12.240 2.601 1.00 0.00 N ATOM 376 CA VAL A 29 -2.955 -11.026 2.131 1.00 0.00 C ATOM 377 C VAL A 29 -2.837 -11.074 0.606 1.00 0.00 C ATOM 378 O VAL A 29 -2.005 -11.801 0.067 1.00 0.00 O ATOM 379 CB VAL A 29 -1.605 -10.846 2.830 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.901 -9.577 2.344 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.772 -10.833 4.351 1.00 0.00 C ATOM 0 H VAL A 29 -2.958 -12.967 2.919 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.556 -10.152 2.383 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.977 -11.698 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.056 -9.473 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.732 -9.644 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.525 -8.710 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.798 -10.704 4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.426 -10.010 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.211 -11.776 4.677 1.00 0.00 H new ATOM 391 N VAL A 30 -3.682 -10.289 -0.046 1.00 0.00 N ATOM 392 CA VAL A 30 -3.683 -10.233 -1.497 1.00 0.00 C ATOM 393 C VAL A 30 -2.705 -9.152 -1.962 1.00 0.00 C ATOM 394 O VAL A 30 -2.419 -8.209 -1.225 1.00 0.00 O ATOM 395 CB VAL A 30 -5.108 -10.010 -2.011 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.923 -11.303 -1.940 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.798 -8.883 -1.241 1.00 0.00 C ATOM 0 H VAL A 30 -4.371 -9.686 0.405 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.344 -11.181 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.045 -9.710 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.931 -11.118 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.446 -12.068 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.973 -11.645 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.808 -8.745 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.845 -9.141 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.233 -7.959 -1.365 1.00 0.00 H new ATOM 407 N PRO A 31 -2.206 -9.329 -3.215 1.00 0.00 N ATOM 408 CA PRO A 31 -1.266 -8.380 -3.786 1.00 0.00 C ATOM 409 C PRO A 31 -1.975 -7.095 -4.215 1.00 0.00 C ATOM 410 O PRO A 31 -3.199 -7.000 -4.132 1.00 0.00 O ATOM 411 CB PRO A 31 -0.620 -9.118 -4.949 1.00 0.00 C ATOM 412 CG PRO A 31 -1.549 -10.277 -5.273 1.00 0.00 C ATOM 413 CD PRO A 31 -2.521 -10.433 -4.116 1.00 0.00 C ATOM 0 HA PRO A 31 -0.512 -8.053 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.500 -8.461 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.374 -9.477 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.088 -10.086 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.978 -11.194 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.555 -10.382 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.396 -11.396 -3.621 1.00 0.00 H new ATOM 418 N LEU A 32 -1.177 -6.136 -4.661 1.00 0.00 N ATOM 419 CA LEU A 32 -1.713 -4.859 -5.101 1.00 0.00 C ATOM 420 C LEU A 32 -1.352 -4.640 -6.571 1.00 0.00 C ATOM 421 O LEU A 32 -0.218 -4.283 -6.889 1.00 0.00 O ATOM 422 CB LEU A 32 -1.245 -3.734 -4.178 1.00 0.00 C ATOM 423 CG LEU A 32 -1.412 -2.311 -4.716 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.768 -2.140 -5.402 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.195 -1.278 -3.608 1.00 0.00 C ATOM 0 H LEU A 32 -0.162 -6.218 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.801 -4.859 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.791 -3.812 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.191 -3.893 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.646 -2.139 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.861 -1.120 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.845 -2.839 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.566 -2.338 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.319 -0.275 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.923 -1.439 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.188 -1.383 -3.205 1.00 0.00 H new ATOM 436 N PRO A 33 -2.363 -4.866 -7.452 1.00 0.00 N ATOM 437 CA PRO A 33 -2.162 -4.696 -8.881 1.00 0.00 C ATOM 438 C PRO A 33 -2.121 -3.213 -9.256 1.00 0.00 C ATOM 439 O PRO A 33 -3.129 -2.647 -9.675 1.00 0.00 O ATOM 440 CB PRO A 33 -3.316 -5.441 -9.532 1.00 0.00 C ATOM 441 CG PRO A 33 -4.370 -5.604 -8.448 1.00 0.00 C ATOM 442 CD PRO A 33 -3.719 -5.288 -7.113 1.00 0.00 C ATOM 0 HA PRO A 33 -1.206 -5.094 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.712 -4.884 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.991 -6.410 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.211 -4.935 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.765 -6.620 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.258 -4.501 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.710 -6.161 -6.460 1.00 0.00 H new ATOM 447 N TYR A 34 -0.944 -2.626 -9.092 1.00 0.00 N ATOM 448 CA TYR A 34 -0.759 -1.221 -9.408 1.00 0.00 C ATOM 449 C TYR A 34 -1.112 -0.935 -10.870 1.00 0.00 C ATOM 450 O TYR A 34 -1.894 -0.032 -11.159 1.00 0.00 O ATOM 451 CB TYR A 34 0.728 -0.932 -9.190 1.00 0.00 C ATOM 452 CG TYR A 34 1.212 -1.207 -7.765 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.015 -0.266 -6.776 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.846 -2.397 -7.470 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.472 -0.525 -5.434 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.303 -2.656 -6.128 1.00 0.00 C ATOM 457 CZ TYR A 34 2.092 -1.707 -5.177 1.00 0.00 C ATOM 458 OH TYR A 34 2.522 -1.953 -3.910 1.00 0.00 O ATOM 0 H TYR A 34 -0.110 -3.099 -8.744 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.402 -0.600 -8.784 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.311 -1.537 -9.884 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.925 0.112 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.518 0.665 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.000 -3.134 -8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.325 0.203 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.801 -3.582 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 34 2.558 -1.112 -3.408 1.00 0.00 H new ATOM 467 N GLU A 35 -0.517 -1.724 -11.753 1.00 0.00 N ATOM 468 CA GLU A 35 -0.758 -1.568 -13.178 1.00 0.00 C ATOM 469 C GLU A 35 -2.243 -1.305 -13.438 1.00 0.00 C ATOM 470 O GLU A 35 -2.597 -0.621 -14.397 1.00 0.00 O ATOM 471 CB GLU A 35 -0.274 -2.794 -13.954 1.00 0.00 C ATOM 472 CG GLU A 35 -1.034 -4.050 -13.524 1.00 0.00 C ATOM 473 CD GLU A 35 -0.517 -5.284 -14.268 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.694 -5.559 -14.138 1.00 0.00 O ATOM 475 OE2 GLU A 35 -1.348 -5.924 -14.949 1.00 0.00 O ATOM 0 H GLU A 35 0.131 -2.473 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.189 -0.708 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.411 -2.630 -15.023 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.794 -2.936 -13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.924 -4.196 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.098 -3.921 -13.721 1.00 0.00 H new ATOM 480 N ARG A 36 -3.071 -1.864 -12.568 1.00 0.00 N ATOM 481 CA ARG A 36 -4.509 -1.700 -12.693 1.00 0.00 C ATOM 482 C ARG A 36 -4.978 -0.494 -11.876 1.00 0.00 C ATOM 483 O ARG A 36 -5.407 0.512 -12.438 1.00 0.00 O ATOM 484 CB ARG A 36 -5.251 -2.950 -12.215 1.00 0.00 C ATOM 485 CG ARG A 36 -5.329 -3.999 -13.325 1.00 0.00 C ATOM 486 CD ARG A 36 -6.715 -4.646 -13.372 1.00 0.00 C ATOM 487 NE ARG A 36 -7.017 -5.094 -14.750 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.284 -4.264 -15.768 1.00 0.00 C ATOM 489 NH1 ARG A 36 -7.286 -2.939 -15.570 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.547 -4.760 -16.985 1.00 0.00 N ATOM 0 H ARG A 36 -2.774 -2.431 -11.774 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.734 -1.540 -13.748 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.742 -3.370 -11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.257 -2.680 -11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.108 -3.534 -14.286 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.572 -4.765 -13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.753 -5.494 -12.688 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.470 -3.934 -13.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.022 -6.097 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.084 -2.561 -14.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.489 -2.308 -16.345 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.544 -5.769 -17.136 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.750 -4.129 -17.760 1.00 0.00 H new ATOM 501 N LEU A 37 -4.881 -0.635 -10.562 1.00 0.00 N ATOM 502 CA LEU A 37 -5.290 0.430 -9.662 1.00 0.00 C ATOM 503 C LEU A 37 -4.792 1.770 -10.206 1.00 0.00 C ATOM 504 O LEU A 37 -5.487 2.780 -10.112 1.00 0.00 O ATOM 505 CB LEU A 37 -4.825 0.133 -8.235 1.00 0.00 C ATOM 506 CG LEU A 37 -5.164 -1.256 -7.694 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.294 -1.234 -6.169 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.419 -1.815 -8.367 1.00 0.00 C ATOM 0 H LEU A 37 -4.525 -1.471 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.377 0.491 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.744 0.264 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.263 0.877 -7.569 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.341 -1.928 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.535 -2.234 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.352 -0.908 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.087 -0.544 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.638 -2.804 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.261 -1.150 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.253 -1.890 -9.442 1.00 0.00 H new ATOM 519 N LEU A 38 -3.590 1.736 -10.763 1.00 0.00 N ATOM 520 CA LEU A 38 -2.991 2.936 -11.322 1.00 0.00 C ATOM 521 C LEU A 38 -3.881 3.471 -12.445 1.00 0.00 C ATOM 522 O LEU A 38 -4.171 4.665 -12.497 1.00 0.00 O ATOM 523 CB LEU A 38 -1.550 2.661 -11.758 1.00 0.00 C ATOM 524 CG LEU A 38 -0.553 2.368 -10.635 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.750 1.794 -11.195 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.310 3.612 -9.778 1.00 0.00 C ATOM 0 H LEU A 38 -3.015 0.897 -10.839 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.928 3.718 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.554 1.813 -12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.191 3.523 -12.320 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.986 1.609 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.441 1.595 -10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.540 0.866 -11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.198 2.512 -11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.402 3.376 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.092 4.411 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.251 3.937 -9.333 1.00 0.00 H new ATOM 537 N ARG A 39 -4.291 2.561 -13.317 1.00 0.00 N ATOM 538 CA ARG A 39 -5.143 2.926 -14.435 1.00 0.00 C ATOM 539 C ARG A 39 -6.382 3.674 -13.937 1.00 0.00 C ATOM 540 O ARG A 39 -6.795 4.665 -14.536 1.00 0.00 O ATOM 541 CB ARG A 39 -5.584 1.689 -15.219 1.00 0.00 C ATOM 542 CG ARG A 39 -6.186 2.080 -16.570 1.00 0.00 C ATOM 543 CD ARG A 39 -6.286 0.868 -17.498 1.00 0.00 C ATOM 544 NE ARG A 39 -6.613 1.308 -18.873 1.00 0.00 N ATOM 545 CZ ARG A 39 -6.954 0.478 -19.867 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.012 -0.843 -19.647 1.00 0.00 N ATOM 547 NH2 ARG A 39 -7.234 0.966 -21.082 1.00 0.00 N ATOM 0 H ARG A 39 -4.048 1.571 -13.271 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.564 3.573 -15.094 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.730 1.030 -15.375 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.317 1.129 -14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.176 2.510 -16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.572 2.850 -17.037 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.344 0.320 -17.497 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.053 0.184 -17.134 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.576 2.307 -19.076 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.796 -1.216 -18.722 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.272 -1.475 -20.404 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.188 1.971 -21.251 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.494 0.333 -21.838 1.00 0.00 H new ATOM 558 N GLU A 40 -6.938 3.170 -12.845 1.00 0.00 N ATOM 559 CA GLU A 40 -8.121 3.778 -12.260 1.00 0.00 C ATOM 560 C GLU A 40 -7.854 4.166 -10.804 1.00 0.00 C ATOM 561 O GLU A 40 -7.834 3.307 -9.923 1.00 0.00 O ATOM 562 CB GLU A 40 -9.327 2.843 -12.366 1.00 0.00 C ATOM 563 CG GLU A 40 -8.884 1.380 -12.425 1.00 0.00 C ATOM 564 CD GLU A 40 -10.079 0.453 -12.660 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.095 0.649 -11.958 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.949 -0.430 -13.534 1.00 0.00 O ATOM 0 H GLU A 40 -6.591 2.348 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.355 4.684 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.984 2.993 -11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.904 3.088 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.155 1.249 -13.225 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.387 1.109 -11.493 1.00 0.00 H new ATOM 571 N PRO A 41 -7.649 5.493 -10.591 1.00 0.00 N ATOM 572 CA PRO A 41 -7.383 6.004 -9.257 1.00 0.00 C ATOM 573 C PRO A 41 -8.661 6.032 -8.416 1.00 0.00 C ATOM 574 O PRO A 41 -8.599 6.034 -7.187 1.00 0.00 O ATOM 575 CB PRO A 41 -6.788 7.386 -9.478 1.00 0.00 C ATOM 576 CG PRO A 41 -7.169 7.783 -10.894 1.00 0.00 C ATOM 577 CD PRO A 41 -7.664 6.538 -11.610 1.00 0.00 C ATOM 0 HA PRO A 41 -6.695 5.373 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.180 8.100 -8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.705 7.369 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.944 8.549 -10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.311 8.207 -11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.667 6.685 -12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.018 6.281 -12.450 1.00 0.00 H new ATOM 582 N GLY A 42 -9.789 6.051 -9.111 1.00 0.00 N ATOM 583 CA GLY A 42 -11.079 6.078 -8.443 1.00 0.00 C ATOM 584 C GLY A 42 -11.415 4.710 -7.845 1.00 0.00 C ATOM 585 O GLY A 42 -12.168 4.620 -6.877 1.00 0.00 O ATOM 0 H GLY A 42 -9.836 6.048 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.069 6.831 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.854 6.369 -9.152 1.00 0.00 H new ATOM 589 N LEU A 43 -10.840 3.679 -8.447 1.00 0.00 N ATOM 590 CA LEU A 43 -11.069 2.321 -7.986 1.00 0.00 C ATOM 591 C LEU A 43 -10.490 2.159 -6.580 1.00 0.00 C ATOM 592 O LEU A 43 -11.112 1.545 -5.714 1.00 0.00 O ATOM 593 CB LEU A 43 -10.520 1.312 -8.997 1.00 0.00 C ATOM 594 CG LEU A 43 -11.056 -0.116 -8.878 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.515 -0.193 -9.336 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.165 -1.101 -9.637 1.00 0.00 C ATOM 0 H LEU A 43 -10.216 3.757 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.138 2.118 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.737 1.678 -10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.435 1.281 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.032 -0.404 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.872 -1.218 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.126 0.463 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.587 0.122 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.568 -2.109 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.135 -0.826 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.156 -1.071 -9.225 1.00 0.00 H new ATOM 607 N LEU A 44 -9.305 2.722 -6.393 1.00 0.00 N ATOM 608 CA LEU A 44 -8.635 2.648 -5.107 1.00 0.00 C ATOM 609 C LEU A 44 -7.676 3.833 -4.968 1.00 0.00 C ATOM 610 O LEU A 44 -6.656 3.894 -5.652 1.00 0.00 O ATOM 611 CB LEU A 44 -7.959 1.287 -4.932 1.00 0.00 C ATOM 612 CG LEU A 44 -6.984 1.168 -3.759 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.585 1.761 -2.483 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.537 -0.282 -3.562 1.00 0.00 C ATOM 0 H LEU A 44 -8.792 3.232 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.359 2.725 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.735 0.531 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.422 1.049 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.093 1.750 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.871 1.663 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.811 2.815 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.501 1.228 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.845 -0.338 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.407 -0.906 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.041 -0.636 -4.466 1.00 0.00 H new ATOM 625 N ALA A 45 -8.037 4.744 -4.075 1.00 0.00 N ATOM 626 CA ALA A 45 -7.222 5.923 -3.837 1.00 0.00 C ATOM 627 C ALA A 45 -6.352 5.695 -2.600 1.00 0.00 C ATOM 628 O ALA A 45 -6.853 5.298 -1.549 1.00 0.00 O ATOM 629 CB ALA A 45 -8.126 7.149 -3.696 1.00 0.00 C ATOM 0 H ALA A 45 -8.883 4.689 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.555 6.105 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.514 8.033 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.701 7.284 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.808 7.004 -2.858 1.00 0.00 H new ATOM 635 N VAL A 46 -5.063 5.954 -2.766 1.00 0.00 N ATOM 636 CA VAL A 46 -4.119 5.782 -1.675 1.00 0.00 C ATOM 637 C VAL A 46 -4.057 7.070 -0.852 1.00 0.00 C ATOM 638 O VAL A 46 -3.804 8.145 -1.392 1.00 0.00 O ATOM 639 CB VAL A 46 -2.755 5.358 -2.225 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.712 5.285 -1.108 1.00 0.00 C ATOM 641 CG2 VAL A 46 -2.855 4.026 -2.972 1.00 0.00 C ATOM 0 H VAL A 46 -4.651 6.282 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.448 4.985 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.430 6.117 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.752 4.982 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.611 6.264 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.029 4.557 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.872 3.748 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.213 3.253 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.551 4.127 -3.805 1.00 0.00 H new ATOM 651 N GLN A 47 -4.292 6.918 0.444 1.00 0.00 N ATOM 652 CA GLN A 47 -4.266 8.055 1.347 1.00 0.00 C ATOM 653 C GLN A 47 -3.236 7.831 2.455 1.00 0.00 C ATOM 654 O GLN A 47 -2.743 6.717 2.633 1.00 0.00 O ATOM 655 CB GLN A 47 -5.654 8.321 1.935 1.00 0.00 C ATOM 656 CG GLN A 47 -6.608 8.861 0.868 1.00 0.00 C ATOM 657 CD GLN A 47 -6.576 10.391 0.829 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.707 11.065 1.837 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.395 10.898 -0.387 1.00 0.00 N ATOM 0 H GLN A 47 -4.501 6.024 0.889 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.973 8.937 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.057 7.400 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.575 9.037 2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.331 8.463 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.622 8.520 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.292 10.276 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.359 11.909 -0.518 1.00 0.00 H new ATOM 666 N GLY A 48 -2.940 8.904 3.172 1.00 0.00 N ATOM 667 CA GLY A 48 -1.977 8.838 4.258 1.00 0.00 C ATOM 668 C GLY A 48 -0.565 8.593 3.723 1.00 0.00 C ATOM 669 O GLY A 48 0.264 7.986 4.401 1.00 0.00 O ATOM 0 H GLY A 48 -3.351 9.826 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.999 9.768 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.253 8.039 4.946 1.00 0.00 H new ATOM 673 N LEU A 49 -0.332 9.079 2.512 1.00 0.00 N ATOM 674 CA LEU A 49 0.966 8.920 1.879 1.00 0.00 C ATOM 675 C LEU A 49 2.026 9.652 2.706 1.00 0.00 C ATOM 676 O LEU A 49 1.692 10.444 3.586 1.00 0.00 O ATOM 677 CB LEU A 49 0.909 9.370 0.418 1.00 0.00 C ATOM 678 CG LEU A 49 0.550 8.289 -0.603 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.042 8.907 -1.871 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.757 7.401 -0.908 1.00 0.00 C ATOM 0 H LEU A 49 -1.020 9.583 1.953 1.00 0.00 H new ATOM 0 HA LEU A 49 1.250 7.868 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.180 10.176 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.879 9.788 0.149 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.218 7.650 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.288 8.117 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.945 9.462 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.685 9.583 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.475 6.641 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.564 8.011 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.094 6.917 0.009 1.00 0.00 H new ATOM 691 N PRO A 50 3.313 9.351 2.387 1.00 0.00 N ATOM 692 CA PRO A 50 4.423 9.971 3.091 1.00 0.00 C ATOM 693 C PRO A 50 4.614 11.422 2.644 1.00 0.00 C ATOM 694 O PRO A 50 5.586 12.071 3.027 1.00 0.00 O ATOM 695 CB PRO A 50 5.624 9.092 2.783 1.00 0.00 C ATOM 696 CG PRO A 50 5.246 8.285 1.553 1.00 0.00 C ATOM 697 CD PRO A 50 3.745 8.417 1.351 1.00 0.00 C ATOM 0 HA PRO A 50 4.257 10.033 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.512 9.696 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.855 8.438 3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.782 8.650 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.523 7.239 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.511 8.794 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.245 7.454 1.453 1.00 0.00 H new ATOM 702 N GLU A 51 3.670 11.888 1.839 1.00 0.00 N ATOM 703 CA GLU A 51 3.722 13.250 1.336 1.00 0.00 C ATOM 704 C GLU A 51 4.985 13.458 0.496 1.00 0.00 C ATOM 705 O GLU A 51 6.032 12.883 0.790 1.00 0.00 O ATOM 706 CB GLU A 51 3.653 14.262 2.482 1.00 0.00 C ATOM 707 CG GLU A 51 2.207 14.483 2.931 1.00 0.00 C ATOM 708 CD GLU A 51 1.489 15.466 2.005 1.00 0.00 C ATOM 709 OE1 GLU A 51 1.925 16.637 1.973 1.00 0.00 O ATOM 710 OE2 GLU A 51 0.522 15.024 1.348 1.00 0.00 O ATOM 0 H GLU A 51 2.865 11.347 1.523 1.00 0.00 H new ATOM 0 HA GLU A 51 2.853 13.414 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.248 13.906 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.087 15.209 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.676 13.531 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.194 14.864 3.952 1.00 0.00 H new ATOM 715 N GLY A 52 4.845 14.282 -0.531 1.00 0.00 N ATOM 716 CA GLY A 52 5.960 14.573 -1.416 1.00 0.00 C ATOM 717 C GLY A 52 6.343 13.342 -2.240 1.00 0.00 C ATOM 718 O GLY A 52 7.509 13.160 -2.585 1.00 0.00 O ATOM 0 H GLY A 52 3.975 14.758 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.695 15.393 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.817 14.904 -0.830 1.00 0.00 H new ATOM 722 N LEU A 53 5.338 12.528 -2.529 1.00 0.00 N ATOM 723 CA LEU A 53 5.555 11.319 -3.305 1.00 0.00 C ATOM 724 C LEU A 53 4.375 11.112 -4.258 1.00 0.00 C ATOM 725 O LEU A 53 3.534 11.996 -4.411 1.00 0.00 O ATOM 726 CB LEU A 53 5.815 10.128 -2.382 1.00 0.00 C ATOM 727 CG LEU A 53 7.284 9.818 -2.085 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.410 8.671 -1.080 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.056 9.538 -3.375 1.00 0.00 C ATOM 0 H LEU A 53 4.372 12.682 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 53 6.450 11.417 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.304 10.308 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.360 9.243 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 53 7.733 10.698 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.464 8.471 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.916 8.948 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.940 7.776 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.097 9.321 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.614 8.682 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.008 10.412 -4.025 1.00 0.00 H new ATOM 740 N ALA A 54 4.353 9.939 -4.875 1.00 0.00 N ATOM 741 CA ALA A 54 3.291 9.605 -5.808 1.00 0.00 C ATOM 742 C ALA A 54 2.985 8.109 -5.712 1.00 0.00 C ATOM 743 O ALA A 54 3.899 7.286 -5.679 1.00 0.00 O ATOM 744 CB ALA A 54 3.700 10.027 -7.219 1.00 0.00 C ATOM 0 H ALA A 54 5.054 9.209 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 54 2.377 10.145 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.903 9.776 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.877 11.102 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.612 9.504 -7.505 1.00 0.00 H new ATOM 750 N PHE A 55 1.697 7.801 -5.670 1.00 0.00 N ATOM 751 CA PHE A 55 1.260 6.418 -5.578 1.00 0.00 C ATOM 752 C PHE A 55 1.787 5.598 -6.757 1.00 0.00 C ATOM 753 O PHE A 55 1.360 5.795 -7.895 1.00 0.00 O ATOM 754 CB PHE A 55 -0.269 6.429 -5.621 1.00 0.00 C ATOM 755 CG PHE A 55 -0.895 5.049 -5.831 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.494 3.996 -5.068 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.852 4.874 -6.781 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.075 2.716 -5.264 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.433 3.592 -6.976 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.032 2.541 -6.213 1.00 0.00 C ATOM 0 H PHE A 55 0.942 8.486 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 55 1.637 5.968 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.646 6.849 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.595 7.091 -6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.266 4.134 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.170 5.709 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.756 1.880 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.193 3.453 -7.730 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.474 1.567 -6.361 1.00 0.00 H new ATOM 769 N ARG A 56 2.705 4.696 -6.446 1.00 0.00 N ATOM 770 CA ARG A 56 3.294 3.845 -7.467 1.00 0.00 C ATOM 771 C ARG A 56 3.995 2.648 -6.820 1.00 0.00 C ATOM 772 O ARG A 56 4.176 2.614 -5.604 1.00 0.00 O ATOM 773 CB ARG A 56 4.303 4.620 -8.315 1.00 0.00 C ATOM 774 CG ARG A 56 5.023 5.682 -7.480 1.00 0.00 C ATOM 775 CD ARG A 56 6.517 5.716 -7.806 1.00 0.00 C ATOM 776 NE ARG A 56 6.717 6.096 -9.223 1.00 0.00 N ATOM 777 CZ ARG A 56 7.908 6.384 -9.763 1.00 0.00 C ATOM 778 NH1 ARG A 56 9.014 6.339 -9.009 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.994 6.719 -11.058 1.00 0.00 N ATOM 0 H ARG A 56 3.056 4.535 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 56 2.488 3.494 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.033 3.930 -8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.791 5.096 -9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.583 6.661 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.883 5.472 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.024 6.428 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.961 4.739 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 56 5.896 6.141 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.949 6.085 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.921 6.558 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.152 6.755 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.901 6.938 -11.469 1.00 0.00 H new ATOM 790 N ARG A 57 4.369 1.696 -7.662 1.00 0.00 N ATOM 791 CA ARG A 57 5.046 0.501 -7.188 1.00 0.00 C ATOM 792 C ARG A 57 6.072 0.863 -6.112 1.00 0.00 C ATOM 793 O ARG A 57 6.612 1.969 -6.112 1.00 0.00 O ATOM 794 CB ARG A 57 5.753 -0.223 -8.335 1.00 0.00 C ATOM 795 CG ARG A 57 4.993 -1.489 -8.737 1.00 0.00 C ATOM 796 CD ARG A 57 5.278 -1.859 -10.194 1.00 0.00 C ATOM 797 NE ARG A 57 4.137 -2.617 -10.755 1.00 0.00 N ATOM 798 CZ ARG A 57 3.873 -3.899 -10.466 1.00 0.00 C ATOM 799 NH1 ARG A 57 4.666 -4.573 -9.623 1.00 0.00 N ATOM 800 NH2 ARG A 57 2.816 -4.507 -11.022 1.00 0.00 N ATOM 0 H ARG A 57 4.216 1.728 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 57 4.291 -0.162 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.836 0.443 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.768 -0.484 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.282 -2.314 -8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.923 -1.334 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.449 -0.956 -10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.188 -2.456 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 57 3.513 -2.134 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.471 -4.111 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.465 -5.549 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.213 -3.994 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.615 -5.483 -10.802 1.00 0.00 H new ATOM 811 N PRO A 58 6.315 -0.114 -5.198 1.00 0.00 N ATOM 812 CA PRO A 58 7.267 0.091 -4.119 1.00 0.00 C ATOM 813 C PRO A 58 8.706 0.016 -4.635 1.00 0.00 C ATOM 814 O PRO A 58 9.630 0.491 -3.978 1.00 0.00 O ATOM 815 CB PRO A 58 6.944 -0.989 -3.100 1.00 0.00 C ATOM 816 CG PRO A 58 6.139 -2.040 -3.846 1.00 0.00 C ATOM 817 CD PRO A 58 5.694 -1.434 -5.168 1.00 0.00 C ATOM 0 HA PRO A 58 7.187 1.081 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.855 -1.418 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.374 -0.580 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.742 -2.932 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.275 -2.348 -3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.018 -2.043 -6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.608 -1.362 -5.225 1.00 0.00 H new ATOM 822 N ALA A 59 8.850 -0.586 -5.808 1.00 0.00 N ATOM 823 CA ALA A 59 10.160 -0.729 -6.419 1.00 0.00 C ATOM 824 C ALA A 59 10.482 0.530 -7.225 1.00 0.00 C ATOM 825 O ALA A 59 11.639 0.943 -7.302 1.00 0.00 O ATOM 826 CB ALA A 59 10.185 -1.995 -7.278 1.00 0.00 C ATOM 0 H ALA A 59 8.081 -0.980 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 59 10.931 -0.837 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.168 -2.104 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.979 -2.863 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.426 -1.921 -8.057 1.00 0.00 H new ATOM 832 N GLU A 60 9.439 1.105 -7.806 1.00 0.00 N ATOM 833 CA GLU A 60 9.597 2.309 -8.605 1.00 0.00 C ATOM 834 C GLU A 60 9.955 3.496 -7.708 1.00 0.00 C ATOM 835 O GLU A 60 10.627 4.429 -8.146 1.00 0.00 O ATOM 836 CB GLU A 60 8.334 2.598 -9.418 1.00 0.00 C ATOM 837 CG GLU A 60 8.194 1.613 -10.581 1.00 0.00 C ATOM 838 CD GLU A 60 8.358 2.325 -11.925 1.00 0.00 C ATOM 839 OE1 GLU A 60 9.306 3.132 -12.028 1.00 0.00 O ATOM 840 OE2 GLU A 60 7.530 2.045 -12.819 1.00 0.00 O ATOM 0 H GLU A 60 8.482 0.760 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 60 10.413 2.150 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.458 2.531 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.370 3.617 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.943 0.826 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.218 1.130 -10.538 1.00 0.00 H new ATOM 845 N TYR A 61 9.491 3.423 -6.470 1.00 0.00 N ATOM 846 CA TYR A 61 9.754 4.481 -5.508 1.00 0.00 C ATOM 847 C TYR A 61 11.257 4.653 -5.280 1.00 0.00 C ATOM 848 O TYR A 61 12.057 3.849 -5.755 1.00 0.00 O ATOM 849 CB TYR A 61 9.100 4.032 -4.200 1.00 0.00 C ATOM 850 CG TYR A 61 7.721 4.646 -3.952 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.479 5.963 -4.291 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.718 3.884 -3.389 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.181 6.539 -4.058 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.419 4.462 -3.155 1.00 0.00 C ATOM 855 CZ TYR A 61 5.214 5.761 -3.501 1.00 0.00 C ATOM 856 OH TYR A 61 3.988 6.307 -3.282 1.00 0.00 O ATOM 0 H TYR A 61 8.934 2.648 -6.110 1.00 0.00 H new ATOM 0 HA TYR A 61 9.362 5.433 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.007 2.946 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.757 4.291 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.264 6.560 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.907 2.854 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.979 7.567 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.626 3.876 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 61 3.560 6.505 -4.141 1.00 0.00 H new ATOM 865 N ASP A 62 11.596 5.707 -4.552 1.00 0.00 N ATOM 866 CA ASP A 62 12.988 5.995 -4.255 1.00 0.00 C ATOM 867 C ASP A 62 13.411 5.218 -3.007 1.00 0.00 C ATOM 868 O ASP A 62 12.616 4.472 -2.438 1.00 0.00 O ATOM 869 CB ASP A 62 13.195 7.486 -3.977 1.00 0.00 C ATOM 870 CG ASP A 62 12.009 8.382 -4.338 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.562 8.290 -5.502 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.575 9.139 -3.443 1.00 0.00 O ATOM 0 H ASP A 62 10.930 6.372 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 62 13.584 5.703 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.419 7.615 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.070 7.826 -4.532 1.00 0.00 H new ATOM 876 N PRO A 63 14.695 5.425 -2.608 1.00 0.00 N ATOM 877 CA PRO A 63 15.232 4.752 -1.438 1.00 0.00 C ATOM 878 C PRO A 63 14.693 5.379 -0.150 1.00 0.00 C ATOM 879 O PRO A 63 14.158 4.679 0.709 1.00 0.00 O ATOM 880 CB PRO A 63 16.741 4.875 -1.572 1.00 0.00 C ATOM 881 CG PRO A 63 16.981 6.004 -2.560 1.00 0.00 C ATOM 882 CD PRO A 63 15.664 6.302 -3.258 1.00 0.00 C ATOM 0 HA PRO A 63 14.935 3.705 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.202 5.094 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.179 3.943 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.348 6.891 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.742 5.720 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.386 7.350 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.727 6.099 -4.327 1.00 0.00 H new ATOM 887 N LYS A 64 14.856 6.691 -0.055 1.00 0.00 N ATOM 888 CA LYS A 64 14.393 7.420 1.114 1.00 0.00 C ATOM 889 C LYS A 64 12.864 7.367 1.170 1.00 0.00 C ATOM 890 O LYS A 64 12.275 7.483 2.243 1.00 0.00 O ATOM 891 CB LYS A 64 14.960 8.841 1.118 1.00 0.00 C ATOM 892 CG LYS A 64 16.410 8.850 1.608 1.00 0.00 C ATOM 893 CD LYS A 64 17.377 9.113 0.452 1.00 0.00 C ATOM 894 CE LYS A 64 18.826 8.890 0.889 1.00 0.00 C ATOM 895 NZ LYS A 64 19.672 8.549 -0.277 1.00 0.00 N ATOM 0 H LYS A 64 15.302 7.268 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 64 14.762 6.952 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.909 9.260 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.351 9.478 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.535 9.617 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.646 7.893 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.139 8.454 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.254 10.136 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.209 9.789 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.871 8.088 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.652 8.401 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.316 7.679 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.643 9.327 -0.966 1.00 0.00 H new ATOM 905 N ALA A 65 12.267 7.193 0.001 1.00 0.00 N ATOM 906 CA ALA A 65 10.819 7.124 -0.097 1.00 0.00 C ATOM 907 C ALA A 65 10.313 5.934 0.721 1.00 0.00 C ATOM 908 O ALA A 65 9.571 6.110 1.687 1.00 0.00 O ATOM 909 CB ALA A 65 10.410 7.036 -1.569 1.00 0.00 C ATOM 0 H ALA A 65 12.760 7.098 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 65 10.363 8.025 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.324 6.984 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.768 7.918 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.847 6.143 -2.015 1.00 0.00 H new ATOM 915 N LEU A 66 10.734 4.749 0.305 1.00 0.00 N ATOM 916 CA LEU A 66 10.333 3.531 0.988 1.00 0.00 C ATOM 917 C LEU A 66 10.434 3.741 2.499 1.00 0.00 C ATOM 918 O LEU A 66 9.542 3.341 3.246 1.00 0.00 O ATOM 919 CB LEU A 66 11.145 2.339 0.477 1.00 0.00 C ATOM 920 CG LEU A 66 11.063 2.065 -1.026 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.100 1.024 -1.452 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.644 1.660 -1.432 1.00 0.00 C ATOM 0 H LEU A 66 11.349 4.606 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 66 9.292 3.296 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.191 2.498 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.815 1.446 1.007 1.00 0.00 H new ATOM 0 HG LEU A 66 11.299 2.988 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.020 0.848 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.100 1.390 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.920 0.091 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.613 1.471 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.356 0.756 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.951 2.465 -1.185 1.00 0.00 H new ATOM 933 N MET A 67 11.528 4.369 2.906 1.00 0.00 N ATOM 934 CA MET A 67 11.757 4.637 4.315 1.00 0.00 C ATOM 935 C MET A 67 10.698 5.591 4.871 1.00 0.00 C ATOM 936 O MET A 67 10.270 5.452 6.015 1.00 0.00 O ATOM 937 CB MET A 67 13.146 5.252 4.500 1.00 0.00 C ATOM 938 CG MET A 67 14.218 4.165 4.600 1.00 0.00 C ATOM 939 SD MET A 67 15.841 4.906 4.597 1.00 0.00 S ATOM 940 CE MET A 67 16.261 4.726 2.871 1.00 0.00 C ATOM 0 H MET A 67 12.265 4.700 2.284 1.00 0.00 H new ATOM 0 HA MET A 67 11.692 3.695 4.859 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.370 5.912 3.662 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.159 5.865 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.076 3.585 5.512 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.124 3.472 3.764 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.063 3.995 2.766 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.386 4.387 2.317 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.591 5.686 2.475 1.00 0.00 H new ATOM 948 N ALA A 68 10.306 6.541 4.033 1.00 0.00 N ATOM 949 CA ALA A 68 9.306 7.518 4.427 1.00 0.00 C ATOM 950 C ALA A 68 7.920 6.869 4.386 1.00 0.00 C ATOM 951 O ALA A 68 7.011 7.291 5.098 1.00 0.00 O ATOM 952 CB ALA A 68 9.402 8.742 3.514 1.00 0.00 C ATOM 0 H ALA A 68 10.663 6.654 3.084 1.00 0.00 H new ATOM 0 HA ALA A 68 9.482 7.856 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.652 9.476 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.395 9.183 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.228 8.440 2.481 1.00 0.00 H new ATOM 958 N ILE A 69 7.803 5.852 3.544 1.00 0.00 N ATOM 959 CA ILE A 69 6.544 5.140 3.402 1.00 0.00 C ATOM 960 C ILE A 69 6.296 4.296 4.654 1.00 0.00 C ATOM 961 O ILE A 69 5.197 4.308 5.207 1.00 0.00 O ATOM 962 CB ILE A 69 6.531 4.332 2.102 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.676 5.249 0.886 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.278 3.458 2.014 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.382 4.527 -0.264 1.00 0.00 C ATOM 0 H ILE A 69 8.559 5.504 2.954 1.00 0.00 H new ATOM 0 HA ILE A 69 5.715 5.843 3.323 1.00 0.00 H new ATOM 0 HB ILE A 69 7.392 3.663 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.692 5.585 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.241 6.139 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.293 2.894 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.257 2.766 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.391 4.090 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.472 5.201 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.375 4.214 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.802 3.651 -0.554 1.00 0.00 H new ATOM 976 N LEU A 70 7.335 3.582 5.062 1.00 0.00 N ATOM 977 CA LEU A 70 7.243 2.734 6.238 1.00 0.00 C ATOM 978 C LEU A 70 7.133 3.610 7.487 1.00 0.00 C ATOM 979 O LEU A 70 6.590 3.182 8.504 1.00 0.00 O ATOM 980 CB LEU A 70 8.413 1.748 6.280 1.00 0.00 C ATOM 981 CG LEU A 70 8.758 1.060 4.957 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.272 0.912 4.795 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.034 -0.281 4.830 1.00 0.00 C ATOM 0 H LEU A 70 8.244 3.573 4.599 1.00 0.00 H new ATOM 0 HA LEU A 70 6.341 2.123 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.297 2.279 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.188 0.979 7.019 1.00 0.00 H new ATOM 0 HG LEU A 70 8.407 1.693 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.490 0.420 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.737 1.898 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.669 0.313 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.297 -0.748 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.331 -0.934 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.957 -0.118 4.868 1.00 0.00 H new ATOM 994 N GLU A 71 7.657 4.821 7.369 1.00 0.00 N ATOM 995 CA GLU A 71 7.625 5.762 8.476 1.00 0.00 C ATOM 996 C GLU A 71 6.270 6.469 8.532 1.00 0.00 C ATOM 997 O GLU A 71 5.726 6.691 9.613 1.00 0.00 O ATOM 998 CB GLU A 71 8.768 6.773 8.369 1.00 0.00 C ATOM 999 CG GLU A 71 10.045 6.227 9.010 1.00 0.00 C ATOM 1000 CD GLU A 71 10.931 7.364 9.523 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.432 8.133 10.374 1.00 0.00 O ATOM 1002 OE2 GLU A 71 12.087 7.440 9.053 1.00 0.00 O ATOM 0 H GLU A 71 8.106 5.173 6.523 1.00 0.00 H new ATOM 0 HA GLU A 71 7.761 5.207 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.954 7.007 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.481 7.704 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.787 5.562 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.596 5.632 8.282 1.00 0.00 H new ATOM 1007 N HIS A 72 5.763 6.804 7.354 1.00 0.00 N ATOM 1008 CA HIS A 72 4.482 7.481 7.256 1.00 0.00 C ATOM 1009 C HIS A 72 3.357 6.445 7.194 1.00 0.00 C ATOM 1010 O HIS A 72 2.182 6.793 7.304 1.00 0.00 O ATOM 1011 CB HIS A 72 4.467 8.444 6.067 1.00 0.00 C ATOM 1012 CG HIS A 72 5.442 9.590 6.192 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.078 10.910 5.990 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.770 9.600 6.502 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.146 11.671 6.172 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.195 10.858 6.489 1.00 0.00 N ATOM 0 H HIS A 72 6.217 6.619 6.460 1.00 0.00 H new ATOM 0 HA HIS A 72 4.319 8.090 8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.693 7.886 5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.461 8.847 5.952 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.374 8.732 6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.181 12.747 6.085 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.148 11.166 6.684 1.00 0.00 H new ATOM 1023 N SER A 73 3.757 5.194 7.018 1.00 0.00 N ATOM 1024 CA SER A 73 2.797 4.106 6.940 1.00 0.00 C ATOM 1025 C SER A 73 1.787 4.217 8.084 1.00 0.00 C ATOM 1026 O SER A 73 0.668 3.717 7.979 1.00 0.00 O ATOM 1027 CB SER A 73 3.500 2.748 6.984 1.00 0.00 C ATOM 1028 OG SER A 73 3.380 2.125 8.260 1.00 0.00 O ATOM 0 H SER A 73 4.732 4.910 6.927 1.00 0.00 H new ATOM 0 HA SER A 73 2.270 4.182 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.076 2.095 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.555 2.878 6.742 1.00 0.00 H new ATOM 0 HG SER A 73 3.841 1.260 8.246 1.00 0.00 H new ATOM 1033 N HIS A 74 2.218 4.876 9.150 1.00 0.00 N ATOM 1034 CA HIS A 74 1.364 5.059 10.312 1.00 0.00 C ATOM 1035 C HIS A 74 0.116 5.848 9.912 1.00 0.00 C ATOM 1036 O HIS A 74 -0.863 5.888 10.656 1.00 0.00 O ATOM 1037 CB HIS A 74 2.139 5.714 11.457 1.00 0.00 C ATOM 1038 CG HIS A 74 2.476 7.166 11.219 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.525 7.569 10.411 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.892 8.306 11.689 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.562 8.893 10.404 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.550 9.349 11.196 1.00 0.00 N ATOM 0 H HIS A 74 3.147 5.290 9.233 1.00 0.00 H new ATOM 0 HA HIS A 74 1.034 4.089 10.683 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.552 5.633 12.372 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.063 5.159 11.621 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.161 6.952 9.907 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.039 8.352 12.350 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.270 9.505 9.865 1.00 0.00 H new ATOM 1049 N ARG A 75 0.191 6.459 8.739 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.921 7.245 8.231 1.00 0.00 C ATOM 1051 C ARG A 75 -1.478 6.615 6.954 1.00 0.00 C ATOM 1052 O ARG A 75 -2.682 6.660 6.709 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.489 8.683 7.937 1.00 0.00 C ATOM 1054 CG ARG A 75 0.669 9.105 8.843 1.00 0.00 C ATOM 1055 CD ARG A 75 0.866 10.622 8.811 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.339 11.300 9.339 1.00 0.00 N ATOM 1057 CZ ARG A 75 -1.370 11.698 8.582 1.00 0.00 C ATOM 1058 NH1 ARG A 75 -1.349 11.487 7.258 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -2.422 12.306 9.147 1.00 0.00 N ATOM 0 H ARG A 75 1.005 6.426 8.125 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.695 7.260 8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.188 8.770 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.333 9.357 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.472 8.782 9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.585 8.609 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.738 10.896 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.060 10.950 7.790 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.387 11.475 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.548 11.024 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.134 11.790 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.438 12.466 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.207 12.609 8.570 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.574 6.040 6.173 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.960 5.401 4.926 1.00 0.00 C ATOM 1072 C ILE A 76 -2.266 4.634 5.134 1.00 0.00 C ATOM 1073 O ILE A 76 -2.326 3.712 5.946 1.00 0.00 O ATOM 1074 CB ILE A 76 0.183 4.537 4.392 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.387 5.397 4.005 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.291 3.658 3.232 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.446 4.564 3.280 1.00 0.00 C ATOM 0 H ILE A 76 0.424 6.003 6.380 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.150 6.149 4.156 1.00 0.00 H new ATOM 0 HB ILE A 76 0.509 3.870 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.062 6.216 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.821 5.845 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.541 3.053 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.093 3.004 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.659 4.290 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.291 5.200 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.786 3.760 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.016 4.138 2.374 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.281 5.043 4.388 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.584 4.405 4.480 1.00 0.00 C ATOM 1090 C ARG A 77 -5.207 4.267 3.090 1.00 0.00 C ATOM 1091 O ARG A 77 -5.277 5.238 2.338 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.528 5.209 5.377 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.328 4.843 6.850 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.672 4.713 7.570 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.539 5.160 8.975 1.00 0.00 N ATOM 1096 CZ ARG A 77 -5.961 4.435 9.942 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -5.459 3.224 9.662 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -5.885 4.920 11.189 1.00 0.00 N ATOM 0 H ARG A 77 -3.228 5.809 3.716 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.439 3.417 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.350 6.275 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.561 5.018 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.779 3.904 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.722 5.606 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.427 5.311 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.012 3.678 7.540 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.911 6.077 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.517 2.855 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.019 2.672 10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.267 5.841 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.445 4.368 11.925 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.644 3.053 2.791 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.261 2.775 1.505 1.00 0.00 C ATOM 1111 C PHE A 78 -7.734 3.184 1.502 1.00 0.00 C ATOM 1112 O PHE A 78 -8.370 3.236 2.554 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.161 1.265 1.279 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.803 0.802 0.747 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.659 1.349 1.238 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.741 -0.157 -0.216 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.399 0.920 0.744 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.480 -0.586 -0.709 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.336 -0.039 -0.218 1.00 0.00 C ATOM 0 H PHE A 78 -5.583 2.250 3.417 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.756 3.338 0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.364 0.753 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.937 0.961 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.709 2.109 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.650 -0.592 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.490 1.355 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.430 -1.347 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.377 -0.366 -0.592 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.236 3.465 0.308 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.623 3.867 0.155 1.00 0.00 C ATOM 1130 C LYS A 79 -10.214 3.188 -1.083 1.00 0.00 C ATOM 1131 O LYS A 79 -9.762 3.426 -2.202 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.739 5.392 0.133 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.900 5.951 1.548 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.375 6.017 1.946 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.000 7.346 1.515 1.00 0.00 C ATOM 1136 NZ LYS A 79 -12.111 8.265 2.669 1.00 0.00 N ATOM 0 H LYS A 79 -7.706 3.422 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.211 3.537 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.852 5.821 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.593 5.686 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.357 5.324 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.460 6.947 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.917 5.190 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.470 5.899 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.392 7.804 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.987 7.169 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.537 9.162 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.710 7.832 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.165 8.448 3.059 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.214 2.354 -0.840 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.871 1.638 -1.920 1.00 0.00 C ATOM 1148 C LEU A 80 -13.035 2.480 -2.451 1.00 0.00 C ATOM 1149 O LEU A 80 -13.636 3.252 -1.706 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.283 0.238 -1.463 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.190 -0.831 -1.506 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.744 -2.200 -1.106 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.510 -0.866 -2.876 1.00 0.00 C ATOM 0 H LEU A 80 -11.585 2.158 0.090 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.182 1.486 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.656 0.306 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.114 -0.095 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.427 -0.567 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.946 -2.941 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.143 -2.149 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.539 -2.486 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.737 -1.635 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.250 -1.092 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.058 0.104 -3.083 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.316 2.300 -3.732 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.397 3.033 -4.370 1.00 0.00 C ATOM 1166 C LYS A 81 -15.679 2.853 -3.557 1.00 0.00 C ATOM 1167 O LYS A 81 -16.579 3.689 -3.618 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.535 2.615 -5.836 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.125 1.207 -5.952 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.985 1.075 -7.210 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.917 -0.134 -7.113 1.00 0.00 C ATOM 1172 NZ LYS A 81 -18.281 0.293 -6.731 1.00 0.00 N ATOM 0 H LYS A 81 -12.815 1.658 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.176 4.100 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.173 3.325 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.559 2.645 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.320 0.473 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.728 0.988 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.573 1.982 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.343 0.974 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.947 -0.655 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.531 -0.840 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.901 -0.540 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.250 0.770 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.653 0.949 -7.447 1.00 0.00 H new