USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 72 HIS : no HE2:sc= -0.032 X(o=-0.032,f=-0.49) USER MOD Set 1.2: B 116 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A 68 SER OG : rot -88:sc= 1.26 USER MOD Set 2.2: A 69 ASN : amide:sc= 0.768 K(o=2,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -0.271 (180deg=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -55:sc= -8.55! USER MOD Single : A 26 SER OG : rot 150:sc= -2.83 USER MOD Single : A 28 SER OG : rot 180:sc= -0.242 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00603 USER MOD Single : A 33 GLN : amide:sc= -0.702 X(o=-0.7,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= -1.51 (180deg=-2.86!) USER MOD Single : A 40 SER OG : rot -130:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 109:sc= -0.0885 USER MOD Single : A 48 SER OG : rot 90:sc= -1.37 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.346 F(o=-1.2,f=-0.35) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.475 F(o=-0.33,f=0.47) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.039) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= -0.166 (180deg=-1.06) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc=0.000647 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -127:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 10 -2.376 -1.936 -14.841 1.00 0.00 N ATOM 26 CA GLU A 10 -1.461 -1.165 -14.008 1.00 0.00 C ATOM 27 C GLU A 10 -1.953 0.271 -13.844 1.00 0.00 C ATOM 28 O GLU A 10 -2.459 0.876 -14.789 1.00 0.00 O ATOM 29 CB GLU A 10 -0.057 -1.171 -14.615 1.00 0.00 C ATOM 30 CG GLU A 10 1.026 -1.593 -13.636 1.00 0.00 C ATOM 31 CD GLU A 10 2.361 -0.932 -13.922 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.623 -0.609 -15.099 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.143 -0.736 -12.967 1.00 0.00 O ATOM 0 HA GLU A 10 -1.424 -1.631 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.043 -1.845 -15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.172 -0.174 -14.990 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.711 -1.344 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.145 -2.676 -13.676 1.00 0.00 H new ATOM 40 N LYS A 11 -1.798 0.808 -12.639 1.00 0.00 N ATOM 41 CA LYS A 11 -2.223 2.172 -12.346 1.00 0.00 C ATOM 42 C LYS A 11 -1.037 3.018 -11.891 1.00 0.00 C ATOM 43 O LYS A 11 -0.422 2.741 -10.862 1.00 0.00 O ATOM 44 CB LYS A 11 -3.317 2.163 -11.271 1.00 0.00 C ATOM 45 CG LYS A 11 -3.717 3.547 -10.775 1.00 0.00 C ATOM 46 CD LYS A 11 -3.826 3.585 -9.257 1.00 0.00 C ATOM 47 CE LYS A 11 -5.188 4.082 -8.801 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.649 5.254 -9.594 1.00 0.00 N ATOM 0 H LYS A 11 -1.380 0.318 -11.848 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.628 2.613 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.200 1.664 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.973 1.571 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.982 4.280 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.672 3.831 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.650 2.587 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.049 4.233 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.916 3.276 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.140 4.354 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.212 5.884 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.824 5.771 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.233 4.927 -10.390 1.00 0.00 H new ATOM 62 N LYS A 12 -0.723 4.052 -12.666 1.00 0.00 N ATOM 63 CA LYS A 12 0.389 4.939 -12.344 1.00 0.00 C ATOM 64 C LYS A 12 -0.058 6.047 -11.398 1.00 0.00 C ATOM 65 O LYS A 12 -1.176 6.553 -11.504 1.00 0.00 O ATOM 66 CB LYS A 12 0.972 5.547 -13.622 1.00 0.00 C ATOM 67 CG LYS A 12 2.466 5.806 -13.546 1.00 0.00 C ATOM 68 CD LYS A 12 2.912 6.814 -14.593 1.00 0.00 C ATOM 69 CE LYS A 12 4.412 7.049 -14.538 1.00 0.00 C ATOM 70 NZ LYS A 12 4.888 7.884 -15.677 1.00 0.00 N ATOM 0 H LYS A 12 -1.223 4.296 -13.521 1.00 0.00 H new ATOM 0 HA LYS A 12 1.160 4.350 -11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.770 4.877 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.460 6.485 -13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.722 6.175 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.006 4.870 -13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.635 6.456 -15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.389 7.758 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.668 7.538 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.930 6.090 -14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.916 8.020 -15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.667 7.406 -16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.413 8.809 -15.651 1.00 0.00 H new ATOM 84 N VAL A 13 0.819 6.419 -10.471 1.00 0.00 N ATOM 85 CA VAL A 13 0.508 7.466 -9.505 1.00 0.00 C ATOM 86 C VAL A 13 1.757 8.243 -9.110 1.00 0.00 C ATOM 87 O VAL A 13 2.865 7.705 -9.113 1.00 0.00 O ATOM 88 CB VAL A 13 -0.142 6.881 -8.238 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.629 7.994 -7.323 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.285 5.948 -8.607 1.00 0.00 C ATOM 0 H VAL A 13 1.749 6.012 -10.369 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.196 8.143 -9.989 1.00 0.00 H new ATOM 0 HB VAL A 13 0.610 6.304 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.085 7.560 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.214 8.619 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.366 8.601 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.732 5.544 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.039 6.500 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.904 5.130 -9.219 1.00 0.00 H new ATOM 100 N PHE A 14 1.573 9.514 -8.767 1.00 0.00 N ATOM 101 CA PHE A 14 2.683 10.371 -8.367 1.00 0.00 C ATOM 102 C PHE A 14 2.367 11.091 -7.059 1.00 0.00 C ATOM 103 O PHE A 14 1.373 11.810 -6.960 1.00 0.00 O ATOM 104 CB PHE A 14 2.987 11.392 -9.464 1.00 0.00 C ATOM 105 CG PHE A 14 1.845 12.327 -9.747 1.00 0.00 C ATOM 106 CD1 PHE A 14 0.723 11.882 -10.429 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.895 13.647 -9.333 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.330 12.739 -10.691 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.844 14.509 -9.592 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.269 14.053 -10.272 1.00 0.00 C ATOM 0 H PHE A 14 0.663 9.974 -8.758 1.00 0.00 H new ATOM 0 HA PHE A 14 3.560 9.742 -8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.861 11.976 -9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.248 10.862 -10.380 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.671 10.855 -10.759 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.764 14.008 -8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.199 12.381 -11.223 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.894 15.537 -9.263 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.090 14.724 -10.476 1.00 0.00 H new ATOM 120 N ILE A 15 3.217 10.889 -6.057 1.00 0.00 N ATOM 121 CA ILE A 15 3.026 11.517 -4.757 1.00 0.00 C ATOM 122 C ILE A 15 4.084 12.584 -4.497 1.00 0.00 C ATOM 123 O ILE A 15 5.281 12.338 -4.644 1.00 0.00 O ATOM 124 CB ILE A 15 3.069 10.479 -3.619 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.121 9.318 -3.923 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.711 11.129 -2.290 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.686 9.750 -4.130 1.00 0.00 C ATOM 0 H ILE A 15 4.044 10.295 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 15 2.042 11.985 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 15 4.083 10.087 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.469 8.800 -4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.162 8.601 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.746 10.381 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.423 11.924 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.706 11.548 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.070 8.876 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.321 10.242 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.632 10.443 -4.969 1.00 0.00 H new ATOM 139 N SER A 16 3.634 13.772 -4.109 1.00 0.00 N ATOM 140 CA SER A 16 4.537 14.881 -3.826 1.00 0.00 C ATOM 141 C SER A 16 4.051 15.682 -2.622 1.00 0.00 C ATOM 142 O SER A 16 2.846 15.836 -2.414 1.00 0.00 O ATOM 143 CB SER A 16 4.661 15.794 -5.047 1.00 0.00 C ATOM 144 OG SER A 16 3.496 15.729 -5.852 1.00 0.00 O ATOM 0 H SER A 16 2.646 13.992 -3.983 1.00 0.00 H new ATOM 0 HA SER A 16 5.518 14.467 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.825 16.821 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.531 15.503 -5.636 1.00 0.00 H new ATOM 0 HG SER A 16 3.599 16.322 -6.625 1.00 0.00 H new ATOM 234 N LEU A 23 1.482 12.334 2.214 1.00 0.00 N ATOM 235 CA LEU A 23 0.729 11.582 1.220 1.00 0.00 C ATOM 236 C LEU A 23 -0.755 11.555 1.576 1.00 0.00 C ATOM 237 O LEU A 23 -1.611 11.824 0.733 1.00 0.00 O ATOM 238 CB LEU A 23 1.277 10.153 1.120 1.00 0.00 C ATOM 239 CG LEU A 23 0.336 9.125 0.489 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.083 9.458 -0.973 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.907 7.720 0.631 1.00 0.00 C ATOM 0 HA LEU A 23 0.840 12.074 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.200 10.177 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.538 9.813 2.122 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.617 9.161 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.588 8.716 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.372 10.446 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.028 9.452 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.224 7.002 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.874 7.668 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.032 7.483 1.688 1.00 0.00 H new ATOM 253 N GLY A 24 -1.051 11.227 2.828 1.00 0.00 N ATOM 254 CA GLY A 24 -2.430 11.166 3.273 1.00 0.00 C ATOM 255 C GLY A 24 -3.008 9.770 3.170 1.00 0.00 C ATOM 256 O GLY A 24 -4.210 9.599 2.976 1.00 0.00 O ATOM 0 H GLY A 24 -0.360 11.002 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.491 11.506 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.032 11.851 2.676 1.00 0.00 H new ATOM 260 N CYS A 25 -2.145 8.768 3.296 1.00 0.00 N ATOM 261 CA CYS A 25 -2.572 7.376 3.210 1.00 0.00 C ATOM 262 C CYS A 25 -1.596 6.463 3.944 1.00 0.00 C ATOM 263 O CYS A 25 -0.434 6.815 4.147 1.00 0.00 O ATOM 264 CB CYS A 25 -2.692 6.955 1.745 1.00 0.00 C ATOM 265 SG CYS A 25 -3.133 5.218 1.501 1.00 0.00 S ATOM 0 H CYS A 25 -1.146 8.893 3.458 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.548 7.284 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.443 7.579 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.744 7.150 1.245 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.276 4.462 2.120 1.00 0.00 H new ATOM 271 N SER A 26 -2.075 5.290 4.337 1.00 0.00 N ATOM 272 CA SER A 26 -1.247 4.322 5.046 1.00 0.00 C ATOM 273 C SER A 26 -1.052 3.069 4.201 1.00 0.00 C ATOM 274 O SER A 26 -1.649 2.933 3.134 1.00 0.00 O ATOM 275 CB SER A 26 -1.887 3.958 6.387 1.00 0.00 C ATOM 276 OG SER A 26 -2.181 5.119 7.144 1.00 0.00 O ATOM 0 H SER A 26 -3.035 4.985 4.176 1.00 0.00 H new ATOM 0 HA SER A 26 -0.272 4.772 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.802 3.391 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.214 3.313 6.952 1.00 0.00 H new ATOM 0 HG SER A 26 -2.963 4.951 7.710 1.00 0.00 H new ATOM 282 N ILE A 27 -0.210 2.159 4.680 1.00 0.00 N ATOM 283 CA ILE A 27 0.059 0.919 3.959 1.00 0.00 C ATOM 284 C ILE A 27 0.110 -0.270 4.914 1.00 0.00 C ATOM 285 O ILE A 27 0.405 -0.114 6.099 1.00 0.00 O ATOM 286 CB ILE A 27 1.383 0.997 3.174 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.482 1.623 4.035 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.190 1.791 1.890 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.819 1.719 3.334 1.00 0.00 C ATOM 0 H ILE A 27 0.296 2.256 5.560 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.760 0.779 3.253 1.00 0.00 H new ATOM 0 HB ILE A 27 1.691 -0.015 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.169 2.621 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.599 1.034 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.133 1.838 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.437 1.303 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.861 2.801 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.549 2.172 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.155 0.721 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.717 2.333 2.439 1.00 0.00 H new ATOM 301 N SER A 28 -0.186 -1.456 4.392 1.00 0.00 N ATOM 302 CA SER A 28 -0.181 -2.670 5.201 1.00 0.00 C ATOM 303 C SER A 28 0.478 -3.826 4.454 1.00 0.00 C ATOM 304 O SER A 28 0.619 -3.789 3.231 1.00 0.00 O ATOM 305 CB SER A 28 -1.607 -3.051 5.595 1.00 0.00 C ATOM 306 OG SER A 28 -2.448 -3.131 4.457 1.00 0.00 O ATOM 0 H SER A 28 -0.432 -1.602 3.413 1.00 0.00 H new ATOM 0 HA SER A 28 0.398 -2.470 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.600 -4.010 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.004 -2.314 6.293 1.00 0.00 H new ATOM 0 HG SER A 28 -3.354 -3.378 4.737 1.00 0.00 H new ATOM 312 N SER A 29 0.879 -4.853 5.197 1.00 0.00 N ATOM 313 CA SER A 29 1.523 -6.021 4.608 1.00 0.00 C ATOM 314 C SER A 29 0.566 -7.209 4.572 1.00 0.00 C ATOM 315 O SER A 29 -0.373 -7.286 5.364 1.00 0.00 O ATOM 316 CB SER A 29 2.778 -6.390 5.400 1.00 0.00 C ATOM 317 OG SER A 29 2.585 -6.185 6.789 1.00 0.00 O ATOM 0 H SER A 29 0.769 -4.899 6.210 1.00 0.00 H new ATOM 0 HA SER A 29 1.806 -5.772 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.034 -7.433 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.619 -5.789 5.054 1.00 0.00 H new ATOM 0 HG SER A 29 3.401 -6.430 7.272 1.00 0.00 H new ATOM 323 N GLY A 30 0.806 -8.130 3.644 1.00 0.00 N ATOM 324 CA GLY A 30 -0.047 -9.300 3.519 1.00 0.00 C ATOM 325 C GLY A 30 0.636 -10.576 3.975 1.00 0.00 C ATOM 326 O GLY A 30 1.774 -10.541 4.440 1.00 0.00 O ATOM 0 H GLY A 30 1.576 -8.088 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.953 -9.148 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.356 -9.410 2.479 1.00 0.00 H new ATOM 330 N PRO A 31 -0.045 -11.728 3.851 1.00 0.00 N ATOM 331 CA PRO A 31 0.510 -13.024 4.257 1.00 0.00 C ATOM 332 C PRO A 31 1.694 -13.445 3.394 1.00 0.00 C ATOM 333 O PRO A 31 2.248 -12.640 2.646 1.00 0.00 O ATOM 334 CB PRO A 31 -0.663 -13.993 4.067 1.00 0.00 C ATOM 335 CG PRO A 31 -1.544 -13.333 3.064 1.00 0.00 C ATOM 336 CD PRO A 31 -1.409 -11.857 3.307 1.00 0.00 C ATOM 0 HA PRO A 31 0.896 -12.998 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.320 -14.965 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.191 -14.164 5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.242 -13.591 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.579 -13.655 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.531 -11.285 2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.159 -11.495 4.010 1.00 0.00 H new ATOM 344 N ILE A 32 2.078 -14.713 3.504 1.00 0.00 N ATOM 345 CA ILE A 32 3.198 -15.244 2.737 1.00 0.00 C ATOM 346 C ILE A 32 2.750 -15.708 1.353 1.00 0.00 C ATOM 347 O ILE A 32 3.553 -15.774 0.422 1.00 0.00 O ATOM 348 CB ILE A 32 3.873 -16.423 3.467 1.00 0.00 C ATOM 349 CG1 ILE A 32 4.197 -16.041 4.913 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.133 -16.851 2.731 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.850 -17.121 5.916 1.00 0.00 C ATOM 0 H ILE A 32 1.629 -15.392 4.118 1.00 0.00 H new ATOM 0 HA ILE A 32 3.918 -14.432 2.630 1.00 0.00 H new ATOM 0 HB ILE A 32 3.181 -17.265 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.260 -15.812 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.656 -15.130 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.598 -17.684 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.875 -17.162 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.831 -16.015 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.106 -16.782 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.782 -17.334 5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.411 -18.026 5.685 1.00 0.00 H new ATOM 363 N GLN A 33 1.466 -16.030 1.223 1.00 0.00 N ATOM 364 CA GLN A 33 0.919 -16.487 -0.050 1.00 0.00 C ATOM 365 C GLN A 33 0.878 -15.347 -1.062 1.00 0.00 C ATOM 366 O GLN A 33 1.008 -15.568 -2.267 1.00 0.00 O ATOM 367 CB GLN A 33 -0.485 -17.060 0.150 1.00 0.00 C ATOM 368 CG GLN A 33 -0.569 -18.094 1.260 1.00 0.00 C ATOM 369 CD GLN A 33 -1.025 -17.497 2.577 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.981 -16.726 2.624 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.339 -17.854 3.656 1.00 0.00 N ATOM 0 H GLN A 33 0.786 -15.983 1.982 1.00 0.00 H new ATOM 0 HA GLN A 33 1.570 -17.271 -0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.173 -16.244 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.819 -17.513 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.259 -18.884 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.408 -18.558 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.448 -18.497 3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.599 -17.485 4.571 1.00 0.00 H new ATOM 380 N LYS A 34 0.697 -14.128 -0.567 1.00 0.00 N ATOM 381 CA LYS A 34 0.640 -12.953 -1.428 1.00 0.00 C ATOM 382 C LYS A 34 1.237 -11.733 -0.728 1.00 0.00 C ATOM 383 O LYS A 34 0.522 -10.798 -0.370 1.00 0.00 O ATOM 384 CB LYS A 34 -0.807 -12.665 -1.837 1.00 0.00 C ATOM 385 CG LYS A 34 -0.941 -12.082 -3.233 1.00 0.00 C ATOM 386 CD LYS A 34 -2.388 -11.752 -3.564 1.00 0.00 C ATOM 387 CE LYS A 34 -2.498 -10.966 -4.862 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.598 -11.474 -5.726 1.00 0.00 N ATOM 0 H LYS A 34 0.587 -13.928 0.427 1.00 0.00 H new ATOM 0 HA LYS A 34 1.229 -13.159 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.382 -13.589 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.247 -11.973 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.334 -11.180 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.553 -12.792 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.963 -12.674 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.826 -11.175 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.670 -9.914 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.554 -11.025 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.335 -11.361 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.762 -12.481 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.467 -10.936 -5.534 1.00 0.00 H new ATOM 402 N PRO A 35 2.567 -11.729 -0.523 1.00 0.00 N ATOM 403 CA PRO A 35 3.259 -10.620 0.139 1.00 0.00 C ATOM 404 C PRO A 35 3.375 -9.393 -0.758 1.00 0.00 C ATOM 405 O PRO A 35 3.574 -9.511 -1.968 1.00 0.00 O ATOM 406 CB PRO A 35 4.643 -11.198 0.433 1.00 0.00 C ATOM 407 CG PRO A 35 4.854 -12.227 -0.624 1.00 0.00 C ATOM 408 CD PRO A 35 3.496 -12.806 -0.917 1.00 0.00 C ATOM 0 HA PRO A 35 2.727 -10.275 1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.411 -10.426 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.685 -11.639 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.290 -11.783 -1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.543 -13.000 -0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.388 -13.063 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.317 -13.718 -0.347 1.00 0.00 H new ATOM 416 N GLY A 36 3.251 -8.214 -0.158 1.00 0.00 N ATOM 417 CA GLY A 36 3.345 -6.982 -0.917 1.00 0.00 C ATOM 418 C GLY A 36 2.847 -5.781 -0.139 1.00 0.00 C ATOM 419 O GLY A 36 2.157 -5.929 0.870 1.00 0.00 O ATOM 0 H GLY A 36 3.087 -8.090 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.382 -6.817 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.767 -7.080 -1.836 1.00 0.00 H new ATOM 423 N ILE A 37 3.196 -4.588 -0.609 1.00 0.00 N ATOM 424 CA ILE A 37 2.778 -3.357 0.049 1.00 0.00 C ATOM 425 C ILE A 37 1.356 -2.980 -0.355 1.00 0.00 C ATOM 426 O ILE A 37 1.092 -2.677 -1.518 1.00 0.00 O ATOM 427 CB ILE A 37 3.725 -2.187 -0.290 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.184 -2.644 -0.231 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.493 -1.023 0.663 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.629 -3.074 1.150 1.00 0.00 C ATOM 0 H ILE A 37 3.767 -4.448 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 37 2.814 -3.541 1.123 1.00 0.00 H new ATOM 0 HB ILE A 37 3.510 -1.852 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.324 -3.474 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.825 -1.831 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.169 -0.206 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.462 -0.681 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.682 -1.347 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.673 -3.385 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.521 -2.240 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.013 -3.908 1.487 1.00 0.00 H new ATOM 442 N PHE A 38 0.442 -3.010 0.611 1.00 0.00 N ATOM 443 CA PHE A 38 -0.953 -2.676 0.350 1.00 0.00 C ATOM 444 C PHE A 38 -1.271 -1.254 0.794 1.00 0.00 C ATOM 445 O PHE A 38 -0.454 -0.593 1.434 1.00 0.00 O ATOM 446 CB PHE A 38 -1.882 -3.659 1.069 1.00 0.00 C ATOM 447 CG PHE A 38 -1.482 -5.101 0.923 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.678 -5.516 -0.129 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.913 -6.043 1.842 1.00 0.00 C ATOM 450 CE1 PHE A 38 -0.313 -6.842 -0.259 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.552 -7.371 1.717 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.751 -7.771 0.664 1.00 0.00 C ATOM 0 H PHE A 38 0.642 -3.262 1.579 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.115 -2.748 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.910 -3.407 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.894 -3.533 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.334 -4.794 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.539 -5.736 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.314 -7.152 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.895 -8.095 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.468 -8.808 0.563 1.00 0.00 H new ATOM 462 N ILE A 39 -2.467 -0.793 0.446 1.00 0.00 N ATOM 463 CA ILE A 39 -2.904 0.547 0.801 1.00 0.00 C ATOM 464 C ILE A 39 -3.970 0.504 1.896 1.00 0.00 C ATOM 465 O ILE A 39 -5.029 -0.097 1.725 1.00 0.00 O ATOM 466 CB ILE A 39 -3.453 1.299 -0.434 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.302 1.691 -1.364 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.248 2.531 -0.022 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.393 2.754 -0.787 1.00 0.00 C ATOM 0 H ILE A 39 -3.152 -1.332 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.034 1.084 1.179 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.129 0.630 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.711 0.804 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.714 2.050 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.621 3.038 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.089 2.229 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.604 3.209 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.601 2.982 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.970 3.656 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.952 2.391 0.141 1.00 0.00 H new ATOM 481 N SER A 40 -3.673 1.153 3.016 1.00 0.00 N ATOM 482 CA SER A 40 -4.593 1.205 4.145 1.00 0.00 C ATOM 483 C SER A 40 -5.518 2.413 4.027 1.00 0.00 C ATOM 484 O SER A 40 -5.566 3.072 2.988 1.00 0.00 O ATOM 485 CB SER A 40 -3.815 1.261 5.462 1.00 0.00 C ATOM 486 OG SER A 40 -3.915 0.034 6.165 1.00 0.00 O ATOM 0 H SER A 40 -2.797 1.653 3.166 1.00 0.00 H new ATOM 0 HA SER A 40 -5.202 0.301 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.767 1.484 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.200 2.071 6.081 1.00 0.00 H new ATOM 0 HG SER A 40 -4.175 0.209 7.093 1.00 0.00 H new ATOM 492 N HIS A 41 -6.255 2.696 5.100 1.00 0.00 N ATOM 493 CA HIS A 41 -7.187 3.822 5.125 1.00 0.00 C ATOM 494 C HIS A 41 -6.566 5.082 4.525 1.00 0.00 C ATOM 495 O HIS A 41 -5.392 5.377 4.749 1.00 0.00 O ATOM 496 CB HIS A 41 -7.637 4.101 6.560 1.00 0.00 C ATOM 497 CG HIS A 41 -8.713 3.179 7.039 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.327 3.312 8.268 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.289 2.104 6.449 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.230 2.359 8.412 1.00 0.00 C ATOM 501 NE2 HIS A 41 -10.228 1.614 7.323 1.00 0.00 N ATOM 0 H HIS A 41 -6.224 2.159 5.966 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.050 3.549 4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.777 4.019 7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.994 5.129 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.053 1.706 5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.863 2.214 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.827 0.805 7.157 1.00 0.00 H new ATOM 510 N VAL A 42 -7.368 5.820 3.764 1.00 0.00 N ATOM 511 CA VAL A 42 -6.910 7.050 3.128 1.00 0.00 C ATOM 512 C VAL A 42 -7.731 8.245 3.609 1.00 0.00 C ATOM 513 O VAL A 42 -8.946 8.145 3.776 1.00 0.00 O ATOM 514 CB VAL A 42 -7.013 6.959 1.595 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.371 8.174 0.941 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.378 5.671 1.089 1.00 0.00 C ATOM 0 H VAL A 42 -8.342 5.586 3.572 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.865 7.187 3.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.068 6.946 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.454 8.090 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.879 9.078 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.319 8.225 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.462 5.626 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.326 5.648 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.891 4.815 1.528 1.00 0.00 H new ATOM 526 N LYS A 43 -7.062 9.371 3.831 1.00 0.00 N ATOM 527 CA LYS A 43 -7.740 10.580 4.293 1.00 0.00 C ATOM 528 C LYS A 43 -7.894 11.590 3.158 1.00 0.00 C ATOM 529 O LYS A 43 -7.064 11.645 2.248 1.00 0.00 O ATOM 530 CB LYS A 43 -6.972 11.212 5.457 1.00 0.00 C ATOM 531 CG LYS A 43 -5.546 11.609 5.104 1.00 0.00 C ATOM 532 CD LYS A 43 -4.563 11.179 6.181 1.00 0.00 C ATOM 533 CE LYS A 43 -4.165 12.346 7.071 1.00 0.00 C ATOM 534 NZ LYS A 43 -2.905 12.072 7.814 1.00 0.00 N ATOM 0 H LYS A 43 -6.056 9.473 3.700 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.735 10.296 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.511 12.095 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.949 10.509 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.266 11.156 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.491 12.689 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.009 10.392 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.673 10.756 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.040 13.241 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.967 12.552 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.668 12.891 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.032 11.233 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.134 11.900 7.138 1.00 0.00 H new ATOM 548 N PRO A 44 -8.961 12.407 3.198 1.00 0.00 N ATOM 549 CA PRO A 44 -9.221 13.420 2.170 1.00 0.00 C ATOM 550 C PRO A 44 -8.211 14.561 2.213 1.00 0.00 C ATOM 551 O PRO A 44 -7.436 14.682 3.162 1.00 0.00 O ATOM 552 CB PRO A 44 -10.622 13.930 2.517 1.00 0.00 C ATOM 553 CG PRO A 44 -10.769 13.667 3.976 1.00 0.00 C ATOM 554 CD PRO A 44 -9.996 12.406 4.249 1.00 0.00 C ATOM 0 HA PRO A 44 -9.142 13.009 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.723 14.992 2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.387 13.409 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.380 14.498 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.818 13.548 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.556 12.412 5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.632 11.523 4.186 1.00 0.00 H new ATOM 562 N GLY A 45 -8.222 15.396 1.178 1.00 0.00 N ATOM 563 CA GLY A 45 -7.298 16.516 1.118 1.00 0.00 C ATOM 564 C GLY A 45 -5.855 16.079 1.260 1.00 0.00 C ATOM 565 O GLY A 45 -5.166 16.482 2.197 1.00 0.00 O ATOM 0 H GLY A 45 -8.853 15.318 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.425 17.039 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.540 17.226 1.909 1.00 0.00 H new ATOM 569 N SER A 46 -5.398 15.245 0.332 1.00 0.00 N ATOM 570 CA SER A 46 -4.030 14.745 0.359 1.00 0.00 C ATOM 571 C SER A 46 -3.599 14.258 -1.021 1.00 0.00 C ATOM 572 O SER A 46 -4.356 14.355 -1.988 1.00 0.00 O ATOM 573 CB SER A 46 -3.909 13.608 1.370 1.00 0.00 C ATOM 574 OG SER A 46 -4.899 13.713 2.378 1.00 0.00 O ATOM 0 H SER A 46 -5.957 14.901 -0.449 1.00 0.00 H new ATOM 0 HA SER A 46 -3.374 15.564 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.007 12.651 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.919 13.626 1.825 1.00 0.00 H new ATOM 0 HG SER A 46 -5.564 13.003 2.259 1.00 0.00 H new ATOM 580 N LEU A 47 -2.381 13.733 -1.106 1.00 0.00 N ATOM 581 CA LEU A 47 -1.854 13.230 -2.369 1.00 0.00 C ATOM 582 C LEU A 47 -2.549 11.933 -2.768 1.00 0.00 C ATOM 583 O LEU A 47 -3.013 11.786 -3.898 1.00 0.00 O ATOM 584 CB LEU A 47 -0.345 13.001 -2.266 1.00 0.00 C ATOM 585 CG LEU A 47 0.500 14.271 -2.158 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.124 15.261 -3.250 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.338 14.901 -0.782 1.00 0.00 C ATOM 0 H LEU A 47 -1.741 13.645 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.047 13.979 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.147 12.377 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.018 12.440 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 47 1.547 14.000 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.737 16.157 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.293 14.807 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.928 15.529 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.946 15.804 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.709 15.157 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.661 14.194 -0.018 1.00 0.00 H new ATOM 599 N SER A 48 -2.619 10.993 -1.829 1.00 0.00 N ATOM 600 CA SER A 48 -3.259 9.708 -2.082 1.00 0.00 C ATOM 601 C SER A 48 -4.703 9.897 -2.539 1.00 0.00 C ATOM 602 O SER A 48 -5.189 9.176 -3.410 1.00 0.00 O ATOM 603 CB SER A 48 -3.220 8.838 -0.826 1.00 0.00 C ATOM 604 OG SER A 48 -3.083 9.632 0.342 1.00 0.00 O ATOM 0 H SER A 48 -2.241 11.098 -0.888 1.00 0.00 H new ATOM 0 HA SER A 48 -2.708 9.209 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.133 8.246 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.389 8.136 -0.892 1.00 0.00 H new ATOM 0 HG SER A 48 -3.971 9.874 0.679 1.00 0.00 H new ATOM 610 N ALA A 49 -5.381 10.872 -1.944 1.00 0.00 N ATOM 611 CA ALA A 49 -6.769 11.159 -2.288 1.00 0.00 C ATOM 612 C ALA A 49 -6.865 11.833 -3.652 1.00 0.00 C ATOM 613 O ALA A 49 -7.782 11.559 -4.427 1.00 0.00 O ATOM 614 CB ALA A 49 -7.406 12.035 -1.221 1.00 0.00 C ATOM 0 H ALA A 49 -4.992 11.477 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.309 10.214 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.442 12.241 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.377 11.519 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.857 12.974 -1.145 1.00 0.00 H new ATOM 620 N GLU A 50 -5.916 12.717 -3.936 1.00 0.00 N ATOM 621 CA GLU A 50 -5.892 13.432 -5.205 1.00 0.00 C ATOM 622 C GLU A 50 -5.618 12.478 -6.364 1.00 0.00 C ATOM 623 O GLU A 50 -6.250 12.568 -7.418 1.00 0.00 O ATOM 624 CB GLU A 50 -4.830 14.533 -5.172 1.00 0.00 C ATOM 625 CG GLU A 50 -5.368 15.884 -4.731 1.00 0.00 C ATOM 626 CD GLU A 50 -6.427 16.425 -5.672 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.055 17.004 -6.715 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.628 16.271 -5.366 1.00 0.00 O ATOM 0 H GLU A 50 -5.152 12.956 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.872 13.885 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.028 14.233 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.391 14.633 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.789 15.794 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.545 16.596 -4.668 1.00 0.00 H new ATOM 635 N VAL A 51 -4.673 11.567 -6.163 1.00 0.00 N ATOM 636 CA VAL A 51 -4.316 10.597 -7.191 1.00 0.00 C ATOM 637 C VAL A 51 -5.430 9.574 -7.398 1.00 0.00 C ATOM 638 O VAL A 51 -5.573 9.011 -8.482 1.00 0.00 O ATOM 639 CB VAL A 51 -3.010 9.859 -6.837 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.849 10.836 -6.764 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.160 9.098 -5.526 1.00 0.00 C ATOM 0 H VAL A 51 -4.140 11.480 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.169 11.156 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.799 9.136 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.935 10.297 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.727 11.328 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.051 11.584 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.227 8.584 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.397 9.797 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.963 8.367 -5.619 1.00 0.00 H new ATOM 651 N GLY A 52 -6.215 9.339 -6.351 1.00 0.00 N ATOM 652 CA GLY A 52 -7.304 8.384 -6.441 1.00 0.00 C ATOM 653 C GLY A 52 -6.949 7.042 -5.836 1.00 0.00 C ATOM 654 O GLY A 52 -7.097 6.003 -6.479 1.00 0.00 O ATOM 0 H GLY A 52 -6.116 9.793 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.180 8.788 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.577 8.247 -7.487 1.00 0.00 H new ATOM 658 N LEU A 53 -6.478 7.062 -4.593 1.00 0.00 N ATOM 659 CA LEU A 53 -6.100 5.837 -3.898 1.00 0.00 C ATOM 660 C LEU A 53 -7.248 5.323 -3.037 1.00 0.00 C ATOM 661 O LEU A 53 -8.165 6.071 -2.696 1.00 0.00 O ATOM 662 CB LEU A 53 -4.865 6.081 -3.027 1.00 0.00 C ATOM 663 CG LEU A 53 -3.524 5.935 -3.750 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.382 6.387 -2.852 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.318 4.495 -4.200 1.00 0.00 C ATOM 0 H LEU A 53 -6.349 7.914 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.865 5.081 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.927 7.085 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.887 5.384 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.535 6.573 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.436 6.276 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.525 7.433 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.365 5.776 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.360 4.407 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.326 3.837 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.121 4.208 -4.879 1.00 0.00 H new ATOM 677 N GLU A 54 -7.191 4.043 -2.686 1.00 0.00 N ATOM 678 CA GLU A 54 -8.225 3.429 -1.864 1.00 0.00 C ATOM 679 C GLU A 54 -7.705 2.158 -1.197 1.00 0.00 C ATOM 680 O GLU A 54 -6.734 1.557 -1.658 1.00 0.00 O ATOM 681 CB GLU A 54 -9.459 3.110 -2.711 1.00 0.00 C ATOM 682 CG GLU A 54 -10.615 4.068 -2.483 1.00 0.00 C ATOM 683 CD GLU A 54 -11.064 4.105 -1.035 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.521 3.060 -0.527 1.00 0.00 O ATOM 685 OE2 GLU A 54 -10.956 5.180 -0.408 1.00 0.00 O ATOM 0 H GLU A 54 -6.439 3.411 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.504 4.138 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.182 3.132 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.789 2.095 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.319 5.070 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.455 3.775 -3.113 1.00 0.00 H new ATOM 692 N ILE A 55 -8.358 1.754 -0.112 1.00 0.00 N ATOM 693 CA ILE A 55 -7.959 0.555 0.615 1.00 0.00 C ATOM 694 C ILE A 55 -7.996 -0.673 -0.287 1.00 0.00 C ATOM 695 O ILE A 55 -8.936 -0.860 -1.060 1.00 0.00 O ATOM 696 CB ILE A 55 -8.867 0.307 1.837 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.940 1.561 2.709 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.358 -0.878 2.645 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.329 1.850 3.236 1.00 0.00 C ATOM 0 H ILE A 55 -9.164 2.239 0.282 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.938 0.721 0.958 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.871 0.075 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.257 1.449 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.594 2.417 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.010 -1.040 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.354 -1.770 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.345 -0.674 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.306 2.753 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.013 1.994 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.670 1.011 3.843 1.00 0.00 H new ATOM 711 N GLY A 56 -6.967 -1.507 -0.184 1.00 0.00 N ATOM 712 CA GLY A 56 -6.902 -2.707 -0.996 1.00 0.00 C ATOM 713 C GLY A 56 -5.798 -2.647 -2.033 1.00 0.00 C ATOM 714 O GLY A 56 -5.141 -3.648 -2.306 1.00 0.00 O ATOM 0 H GLY A 56 -6.177 -1.373 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.743 -3.571 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.859 -2.855 -1.497 1.00 0.00 H new ATOM 718 N ASP A 57 -5.591 -1.468 -2.614 1.00 0.00 N ATOM 719 CA ASP A 57 -4.552 -1.282 -3.626 1.00 0.00 C ATOM 720 C ASP A 57 -3.218 -1.853 -3.149 1.00 0.00 C ATOM 721 O ASP A 57 -3.040 -2.127 -1.963 1.00 0.00 O ATOM 722 CB ASP A 57 -4.400 0.205 -3.950 1.00 0.00 C ATOM 723 CG ASP A 57 -5.543 0.733 -4.793 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.938 0.044 -5.757 1.00 0.00 O ATOM 725 OD2 ASP A 57 -6.043 1.837 -4.490 1.00 0.00 O ATOM 0 H ASP A 57 -6.128 -0.627 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.850 -1.818 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.345 0.773 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.459 0.365 -4.477 1.00 0.00 H new ATOM 730 N GLN A 58 -2.284 -2.032 -4.080 1.00 0.00 N ATOM 731 CA GLN A 58 -0.972 -2.575 -3.745 1.00 0.00 C ATOM 732 C GLN A 58 0.114 -1.978 -4.636 1.00 0.00 C ATOM 733 O GLN A 58 0.142 -2.218 -5.844 1.00 0.00 O ATOM 734 CB GLN A 58 -0.981 -4.100 -3.881 1.00 0.00 C ATOM 735 CG GLN A 58 0.376 -4.748 -3.645 1.00 0.00 C ATOM 736 CD GLN A 58 0.426 -6.184 -4.129 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.981 -6.388 -5.318 1.00 0.00 O flip ATOM 738 NE2 GLN A 58 -0.028 -7.100 -3.443 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.411 -1.810 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.750 -2.308 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.699 -4.514 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.330 -4.364 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.145 -4.169 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.609 -4.718 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.446 -6.898 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.014 -8.061 -3.783 1.00 0.00 H new ATOM 747 N ILE A 59 1.010 -1.207 -4.030 1.00 0.00 N ATOM 748 CA ILE A 59 2.104 -0.580 -4.765 1.00 0.00 C ATOM 749 C ILE A 59 3.112 -1.623 -5.234 1.00 0.00 C ATOM 750 O ILE A 59 3.662 -2.375 -4.428 1.00 0.00 O ATOM 751 CB ILE A 59 2.831 0.471 -3.902 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.825 1.439 -3.277 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.856 1.227 -4.735 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.068 1.697 -1.806 1.00 0.00 C ATOM 0 H ILE A 59 1.001 -1.001 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 59 1.665 -0.085 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 59 3.356 -0.045 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.862 2.386 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.819 1.039 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.360 1.965 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.590 0.526 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.353 1.732 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.317 2.392 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.001 0.758 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.061 2.127 -1.671 1.00 0.00 H new ATOM 766 N VAL A 60 3.348 -1.671 -6.542 1.00 0.00 N ATOM 767 CA VAL A 60 4.288 -2.629 -7.112 1.00 0.00 C ATOM 768 C VAL A 60 5.546 -1.943 -7.646 1.00 0.00 C ATOM 769 O VAL A 60 6.400 -2.590 -8.252 1.00 0.00 O ATOM 770 CB VAL A 60 3.641 -3.446 -8.246 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.458 -4.245 -7.718 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.212 -2.536 -9.388 1.00 0.00 C ATOM 0 H VAL A 60 2.902 -1.059 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 60 4.571 -3.300 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 60 4.382 -4.146 -8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.012 -4.816 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.798 -4.928 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.715 -3.564 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.758 -3.133 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.488 -1.808 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.083 -2.013 -9.784 1.00 0.00 H new ATOM 782 N GLU A 61 5.660 -0.636 -7.419 1.00 0.00 N ATOM 783 CA GLU A 61 6.822 0.116 -7.881 1.00 0.00 C ATOM 784 C GLU A 61 6.856 1.510 -7.263 1.00 0.00 C ATOM 785 O GLU A 61 5.813 2.120 -7.023 1.00 0.00 O ATOM 786 CB GLU A 61 6.811 0.222 -9.408 1.00 0.00 C ATOM 787 CG GLU A 61 8.184 0.478 -10.009 1.00 0.00 C ATOM 788 CD GLU A 61 8.177 0.417 -11.524 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.669 1.367 -12.154 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.679 -0.584 -12.078 1.00 0.00 O ATOM 0 H GLU A 61 4.966 -0.079 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 61 7.717 -0.420 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.407 -0.700 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.138 1.027 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.539 1.458 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.889 -0.258 -9.623 1.00 0.00 H new ATOM 797 N VAL A 62 8.062 2.008 -7.007 1.00 0.00 N ATOM 798 CA VAL A 62 8.235 3.330 -6.416 1.00 0.00 C ATOM 799 C VAL A 62 9.568 3.946 -6.830 1.00 0.00 C ATOM 800 O VAL A 62 10.628 3.520 -6.371 1.00 0.00 O ATOM 801 CB VAL A 62 8.162 3.274 -4.878 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.216 4.675 -4.284 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.904 2.543 -4.431 1.00 0.00 C ATOM 0 H VAL A 62 8.934 1.515 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 62 7.420 3.951 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 62 9.027 2.720 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.163 4.612 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.149 5.158 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.374 5.260 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.868 2.513 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.026 3.066 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.916 1.526 -4.822 1.00 0.00 H new ATOM 813 N ASN A 63 9.507 4.953 -7.697 1.00 0.00 N ATOM 814 CA ASN A 63 10.708 5.629 -8.172 1.00 0.00 C ATOM 815 C ASN A 63 11.667 4.644 -8.828 1.00 0.00 C ATOM 816 O ASN A 63 12.885 4.822 -8.784 1.00 0.00 O ATOM 817 CB ASN A 63 11.407 6.345 -7.015 1.00 0.00 C ATOM 818 CG ASN A 63 12.226 7.535 -7.480 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.089 8.655 -6.781 1.00 0.00 O flip ATOM 820 ND2 ASN A 63 12.971 7.447 -8.456 1.00 0.00 N flip ATOM 0 H ASN A 63 8.637 5.318 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 63 10.407 6.365 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.660 6.680 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.057 5.641 -6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.045 6.565 -8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.515 8.256 -8.757 1.00 0.00 H new ATOM 827 N GLY A 64 11.111 3.600 -9.438 1.00 0.00 N ATOM 828 CA GLY A 64 11.932 2.600 -10.094 1.00 0.00 C ATOM 829 C GLY A 64 12.197 1.397 -9.210 1.00 0.00 C ATOM 830 O GLY A 64 12.397 0.287 -9.704 1.00 0.00 O ATOM 0 H GLY A 64 10.107 3.430 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.439 2.273 -11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.881 3.049 -10.386 1.00 0.00 H new ATOM 834 N VAL A 65 12.195 1.616 -7.901 1.00 0.00 N ATOM 835 CA VAL A 65 12.436 0.542 -6.944 1.00 0.00 C ATOM 836 C VAL A 65 11.349 -0.525 -7.037 1.00 0.00 C ATOM 837 O VAL A 65 10.159 -0.221 -6.973 1.00 0.00 O ATOM 838 CB VAL A 65 12.495 1.075 -5.500 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.900 -0.030 -4.536 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.451 2.255 -5.403 1.00 0.00 C ATOM 0 H VAL A 65 12.029 2.529 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 65 13.400 0.102 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 65 11.500 1.420 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.936 0.367 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.171 -0.839 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.883 -0.411 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.479 2.617 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.450 1.940 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.110 3.055 -6.060 1.00 0.00 H new ATOM 850 N ASP A 66 11.771 -1.778 -7.188 1.00 0.00 N ATOM 851 CA ASP A 66 10.834 -2.890 -7.288 1.00 0.00 C ATOM 852 C ASP A 66 10.184 -3.176 -5.938 1.00 0.00 C ATOM 853 O ASP A 66 10.865 -3.501 -4.966 1.00 0.00 O ATOM 854 CB ASP A 66 11.550 -4.142 -7.801 1.00 0.00 C ATOM 855 CG ASP A 66 10.779 -4.840 -8.904 1.00 0.00 C ATOM 856 OD1 ASP A 66 10.448 -4.174 -9.908 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.507 -6.051 -8.765 1.00 0.00 O ATOM 0 H ASP A 66 12.753 -2.047 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 66 10.052 -2.613 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.538 -3.866 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.702 -4.835 -6.973 1.00 0.00 H new ATOM 862 N PHE A 67 8.861 -3.054 -5.885 1.00 0.00 N ATOM 863 CA PHE A 67 8.120 -3.299 -4.653 1.00 0.00 C ATOM 864 C PHE A 67 7.570 -4.723 -4.618 1.00 0.00 C ATOM 865 O PHE A 67 6.601 -5.005 -3.914 1.00 0.00 O ATOM 866 CB PHE A 67 6.976 -2.292 -4.515 1.00 0.00 C ATOM 867 CG PHE A 67 7.293 -1.142 -3.603 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.531 -0.521 -3.650 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.351 -0.681 -2.696 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.824 0.538 -2.811 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.638 0.377 -1.855 1.00 0.00 C ATOM 872 CZ PHE A 67 7.876 0.987 -1.913 1.00 0.00 C ATOM 0 H PHE A 67 8.281 -2.787 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 67 8.807 -3.177 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.724 -1.903 -5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.092 -2.808 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.276 -0.869 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.382 -1.154 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.793 1.013 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.895 0.727 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.102 1.814 -1.257 1.00 0.00 H new ATOM 882 N SER A 68 8.193 -5.619 -5.379 1.00 0.00 N ATOM 883 CA SER A 68 7.761 -7.010 -5.428 1.00 0.00 C ATOM 884 C SER A 68 8.225 -7.760 -4.183 1.00 0.00 C ATOM 885 O SER A 68 7.415 -8.327 -3.449 1.00 0.00 O ATOM 886 CB SER A 68 8.308 -7.694 -6.683 1.00 0.00 C ATOM 887 OG SER A 68 9.704 -7.497 -6.805 1.00 0.00 O ATOM 0 H SER A 68 8.997 -5.406 -5.969 1.00 0.00 H new ATOM 0 HA SER A 68 6.672 -7.028 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.091 -8.761 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.804 -7.299 -7.565 1.00 0.00 H new ATOM 0 HG SER A 68 9.876 -6.663 -7.291 1.00 0.00 H new ATOM 893 N ASN A 69 9.533 -7.755 -3.951 1.00 0.00 N ATOM 894 CA ASN A 69 10.107 -8.430 -2.794 1.00 0.00 C ATOM 895 C ASN A 69 10.598 -7.414 -1.766 1.00 0.00 C ATOM 896 O ASN A 69 11.543 -7.675 -1.020 1.00 0.00 O ATOM 897 CB ASN A 69 11.264 -9.334 -3.225 1.00 0.00 C ATOM 898 CG ASN A 69 12.282 -8.602 -4.079 1.00 0.00 C ATOM 899 OD1 ASN A 69 12.050 -7.474 -4.513 1.00 0.00 O ATOM 900 ND2 ASN A 69 13.417 -9.246 -4.325 1.00 0.00 N ATOM 0 H ASN A 69 10.216 -7.290 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 69 9.329 -9.042 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.757 -9.735 -2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.870 -10.184 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.140 -8.806 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.566 -10.180 -3.944 1.00 0.00 H new ATOM 907 N LEU A 70 9.950 -6.253 -1.731 1.00 0.00 N ATOM 908 CA LEU A 70 10.317 -5.196 -0.798 1.00 0.00 C ATOM 909 C LEU A 70 9.650 -5.409 0.557 1.00 0.00 C ATOM 910 O LEU A 70 8.545 -5.946 0.639 1.00 0.00 O ATOM 911 CB LEU A 70 9.923 -3.830 -1.365 1.00 0.00 C ATOM 912 CG LEU A 70 10.433 -2.626 -0.570 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.649 -2.014 -1.248 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.332 -1.587 -0.408 1.00 0.00 C ATOM 0 H LEU A 70 9.166 -6.021 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 70 11.398 -5.227 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.297 -3.756 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.836 -3.776 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 70 10.729 -2.970 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.997 -1.159 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.443 -2.758 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.379 -1.686 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.713 -0.738 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.004 -1.248 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.489 -2.030 0.123 1.00 0.00 H new ATOM 926 N ASP A 71 10.328 -4.983 1.618 1.00 0.00 N ATOM 927 CA ASP A 71 9.800 -5.126 2.969 1.00 0.00 C ATOM 928 C ASP A 71 8.881 -3.958 3.319 1.00 0.00 C ATOM 929 O ASP A 71 8.880 -2.931 2.640 1.00 0.00 O ATOM 930 CB ASP A 71 10.945 -5.214 3.982 1.00 0.00 C ATOM 931 CG ASP A 71 10.847 -6.449 4.856 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.445 -7.512 4.340 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.175 -6.352 6.057 1.00 0.00 O ATOM 0 H ASP A 71 11.244 -4.536 1.568 1.00 0.00 H new ATOM 0 HA ASP A 71 9.219 -6.047 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.897 -5.222 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.939 -4.324 4.612 1.00 0.00 H new ATOM 938 N HIS A 72 8.099 -4.124 4.380 1.00 0.00 N ATOM 939 CA HIS A 72 7.176 -3.084 4.820 1.00 0.00 C ATOM 940 C HIS A 72 7.926 -1.801 5.164 1.00 0.00 C ATOM 941 O HIS A 72 7.627 -0.731 4.630 1.00 0.00 O ATOM 942 CB HIS A 72 6.378 -3.562 6.034 1.00 0.00 C ATOM 943 CG HIS A 72 5.150 -2.751 6.301 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.379 -2.901 7.435 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.558 -1.774 5.572 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.366 -2.052 7.392 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.452 -1.357 6.273 1.00 0.00 N ATOM 0 H HIS A 72 8.086 -4.969 4.951 1.00 0.00 H new ATOM 0 HA HIS A 72 6.488 -2.873 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.090 -4.602 5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.020 -3.534 6.914 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.562 -3.563 8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.893 -1.394 4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.599 -1.945 8.145 1.00 0.00 H new ATOM 956 N LYS A 73 8.903 -1.913 6.058 1.00 0.00 N ATOM 957 CA LYS A 73 9.697 -0.762 6.474 1.00 0.00 C ATOM 958 C LYS A 73 10.362 -0.098 5.272 1.00 0.00 C ATOM 959 O LYS A 73 10.467 1.127 5.206 1.00 0.00 O ATOM 960 CB LYS A 73 10.759 -1.188 7.490 1.00 0.00 C ATOM 961 CG LYS A 73 10.335 -0.985 8.936 1.00 0.00 C ATOM 962 CD LYS A 73 10.409 0.481 9.336 1.00 0.00 C ATOM 963 CE LYS A 73 9.295 0.852 10.302 1.00 0.00 C ATOM 964 NZ LYS A 73 8.947 2.298 10.219 1.00 0.00 N ATOM 0 H LYS A 73 9.164 -2.790 6.509 1.00 0.00 H new ATOM 0 HA LYS A 73 9.028 -0.040 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.997 -2.240 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.673 -0.624 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.317 -1.350 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.976 -1.575 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.375 0.685 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.343 1.106 8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.411 0.253 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.601 0.610 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.184 2.511 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.784 2.870 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.630 2.524 9.255 1.00 0.00 H new ATOM 978 N GLU A 74 10.805 -0.913 4.321 1.00 0.00 N ATOM 979 CA GLU A 74 11.455 -0.404 3.119 1.00 0.00 C ATOM 980 C GLU A 74 10.500 0.477 2.322 1.00 0.00 C ATOM 981 O GLU A 74 10.887 1.528 1.810 1.00 0.00 O ATOM 982 CB GLU A 74 11.947 -1.560 2.249 1.00 0.00 C ATOM 983 CG GLU A 74 13.261 -2.161 2.719 1.00 0.00 C ATOM 984 CD GLU A 74 13.643 -3.407 1.944 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.210 -3.539 0.780 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.375 -4.251 2.501 1.00 0.00 O ATOM 0 H GLU A 74 10.726 -1.929 4.359 1.00 0.00 H new ATOM 0 HA GLU A 74 12.311 0.198 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.186 -2.340 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.065 -1.208 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.052 -1.418 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.186 -2.405 3.779 1.00 0.00 H new ATOM 993 N ALA A 75 9.247 0.043 2.222 1.00 0.00 N ATOM 994 CA ALA A 75 8.235 0.793 1.491 1.00 0.00 C ATOM 995 C ALA A 75 8.017 2.166 2.115 1.00 0.00 C ATOM 996 O ALA A 75 7.987 3.181 1.417 1.00 0.00 O ATOM 997 CB ALA A 75 6.928 0.014 1.453 1.00 0.00 C ATOM 0 H ALA A 75 8.910 -0.825 2.639 1.00 0.00 H new ATOM 0 HA ALA A 75 8.588 0.938 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.180 0.585 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.089 -0.943 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.578 -0.159 2.471 1.00 0.00 H new ATOM 1003 N VAL A 76 7.868 2.192 3.435 1.00 0.00 N ATOM 1004 CA VAL A 76 7.657 3.440 4.155 1.00 0.00 C ATOM 1005 C VAL A 76 8.909 4.311 4.124 1.00 0.00 C ATOM 1006 O VAL A 76 8.829 5.522 3.929 1.00 0.00 O ATOM 1007 CB VAL A 76 7.256 3.181 5.622 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.939 4.486 6.335 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.071 2.229 5.689 1.00 0.00 C ATOM 0 H VAL A 76 7.890 1.362 4.027 1.00 0.00 H new ATOM 0 HA VAL A 76 6.844 3.963 3.652 1.00 0.00 H new ATOM 0 HB VAL A 76 8.101 2.716 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.659 4.278 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.817 5.131 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.113 4.986 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.801 2.057 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.223 2.666 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.339 1.281 5.222 1.00 0.00 H new ATOM 1019 N ASN A 77 10.065 3.687 4.322 1.00 0.00 N ATOM 1020 CA ASN A 77 11.335 4.407 4.321 1.00 0.00 C ATOM 1021 C ASN A 77 11.520 5.202 3.031 1.00 0.00 C ATOM 1022 O ASN A 77 11.714 6.418 3.066 1.00 0.00 O ATOM 1023 CB ASN A 77 12.499 3.429 4.504 1.00 0.00 C ATOM 1024 CG ASN A 77 13.206 3.615 5.834 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.435 3.596 5.904 1.00 0.00 O ATOM 1026 ND2 ASN A 77 12.429 3.794 6.896 1.00 0.00 N ATOM 0 H ASN A 77 10.150 2.684 4.485 1.00 0.00 H new ATOM 0 HA ASN A 77 11.322 5.110 5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.126 2.407 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.215 3.564 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.847 3.923 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.415 3.802 6.790 1.00 0.00 H new ATOM 1033 N VAL A 78 11.458 4.513 1.899 1.00 0.00 N ATOM 1034 CA VAL A 78 11.620 5.162 0.603 1.00 0.00 C ATOM 1035 C VAL A 78 10.576 6.256 0.401 1.00 0.00 C ATOM 1036 O VAL A 78 10.898 7.365 -0.028 1.00 0.00 O ATOM 1037 CB VAL A 78 11.524 4.147 -0.550 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.651 3.131 -0.457 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.172 3.453 -0.545 1.00 0.00 C ATOM 0 H VAL A 78 11.297 3.507 1.851 1.00 0.00 H new ATOM 0 HA VAL A 78 12.613 5.611 0.595 1.00 0.00 H new ATOM 0 HB VAL A 78 11.623 4.686 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.569 2.420 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.610 3.645 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.583 2.598 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.126 2.740 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.037 2.926 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.382 4.195 -0.663 1.00 0.00 H new ATOM 1049 N LEU A 79 9.325 5.939 0.718 1.00 0.00 N ATOM 1050 CA LEU A 79 8.235 6.898 0.577 1.00 0.00 C ATOM 1051 C LEU A 79 8.449 8.092 1.505 1.00 0.00 C ATOM 1052 O LEU A 79 8.058 9.216 1.188 1.00 0.00 O ATOM 1053 CB LEU A 79 6.893 6.228 0.883 1.00 0.00 C ATOM 1054 CG LEU A 79 6.131 5.711 -0.340 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.602 6.871 -1.168 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.021 4.813 -1.184 1.00 0.00 C ATOM 0 H LEU A 79 9.041 5.026 1.074 1.00 0.00 H new ATOM 0 HA LEU A 79 8.223 7.255 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.068 5.394 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.260 6.942 1.411 1.00 0.00 H new ATOM 0 HG LEU A 79 5.282 5.122 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.063 6.485 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.928 7.474 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.435 7.487 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.462 4.455 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.891 5.377 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.350 3.962 -0.587 1.00 0.00 H new ATOM 1068 N LYS A 80 9.075 7.838 2.650 1.00 0.00 N ATOM 1069 CA LYS A 80 9.346 8.888 3.627 1.00 0.00 C ATOM 1070 C LYS A 80 10.610 9.660 3.260 1.00 0.00 C ATOM 1071 O LYS A 80 10.742 10.842 3.578 1.00 0.00 O ATOM 1072 CB LYS A 80 9.495 8.284 5.027 1.00 0.00 C ATOM 1073 CG LYS A 80 8.231 8.360 5.865 1.00 0.00 C ATOM 1074 CD LYS A 80 7.063 7.670 5.179 1.00 0.00 C ATOM 1075 CE LYS A 80 5.789 7.777 6.003 1.00 0.00 C ATOM 1076 NZ LYS A 80 6.037 7.506 7.448 1.00 0.00 N ATOM 0 H LYS A 80 9.405 6.913 2.925 1.00 0.00 H new ATOM 0 HA LYS A 80 8.504 9.580 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.795 7.240 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.299 8.800 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.409 7.897 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.979 9.404 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.901 8.116 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.305 6.620 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.365 8.775 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.050 7.071 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.168 7.140 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.796 6.802 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.320 8.387 7.923 1.00 0.00 H new ATOM 1090 N SER A 81 11.540 8.980 2.595 1.00 0.00 N ATOM 1091 CA SER A 81 12.796 9.596 2.189 1.00 0.00 C ATOM 1092 C SER A 81 12.566 10.690 1.151 1.00 0.00 C ATOM 1093 O SER A 81 12.847 11.862 1.398 1.00 0.00 O ATOM 1094 CB SER A 81 13.747 8.538 1.629 1.00 0.00 C ATOM 1095 OG SER A 81 15.079 9.018 1.587 1.00 0.00 O ATOM 0 H SER A 81 11.445 8.001 2.326 1.00 0.00 H new ATOM 0 HA SER A 81 13.245 10.053 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.700 7.640 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.428 8.253 0.626 1.00 0.00 H new ATOM 0 HG SER A 81 15.667 8.321 1.227 1.00 0.00 H new ATOM 1101 N SER A 82 12.058 10.298 -0.013 1.00 0.00 N ATOM 1102 CA SER A 82 11.796 11.248 -1.089 1.00 0.00 C ATOM 1103 C SER A 82 10.371 11.786 -1.013 1.00 0.00 C ATOM 1104 O SER A 82 9.429 11.043 -0.734 1.00 0.00 O ATOM 1105 CB SER A 82 12.033 10.587 -2.449 1.00 0.00 C ATOM 1106 OG SER A 82 13.306 10.930 -2.968 1.00 0.00 O ATOM 0 H SER A 82 11.820 9.331 -0.235 1.00 0.00 H new ATOM 0 HA SER A 82 12.484 12.085 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.957 9.504 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.256 10.897 -3.148 1.00 0.00 H new ATOM 0 HG SER A 82 13.434 10.494 -3.836 1.00 0.00 H new ATOM 1112 N ARG A 83 10.220 13.082 -1.268 1.00 0.00 N ATOM 1113 CA ARG A 83 8.910 13.722 -1.234 1.00 0.00 C ATOM 1114 C ARG A 83 8.156 13.476 -2.536 1.00 0.00 C ATOM 1115 O ARG A 83 7.071 12.897 -2.538 1.00 0.00 O ATOM 1116 CB ARG A 83 9.059 15.226 -0.993 1.00 0.00 C ATOM 1117 CG ARG A 83 9.228 15.596 0.472 1.00 0.00 C ATOM 1118 CD ARG A 83 10.670 15.951 0.798 1.00 0.00 C ATOM 1119 NE ARG A 83 10.950 17.369 0.577 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.557 17.855 -0.506 1.00 0.00 C ATOM 1121 NH1 ARG A 83 11.957 17.044 -1.479 1.00 0.00 N ATOM 1122 NH2 ARG A 83 11.766 19.160 -0.615 1.00 0.00 N ATOM 0 H ARG A 83 10.990 13.710 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 83 8.339 13.286 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.920 15.591 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.182 15.737 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.582 16.441 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.908 14.763 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.879 15.698 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.339 15.349 0.183 1.00 0.00 H new ATOM 0 HE ARG A 83 10.662 18.030 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.801 16.039 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.420 17.426 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.463 19.789 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.230 19.535 -1.442 1.00 0.00 H new ATOM 1136 N SER A 84 8.745 13.917 -3.644 1.00 0.00 N ATOM 1137 CA SER A 84 8.133 13.741 -4.957 1.00 0.00 C ATOM 1138 C SER A 84 8.627 12.454 -5.610 1.00 0.00 C ATOM 1139 O SER A 84 9.613 12.460 -6.346 1.00 0.00 O ATOM 1140 CB SER A 84 8.449 14.938 -5.857 1.00 0.00 C ATOM 1141 OG SER A 84 8.783 16.080 -5.087 1.00 0.00 O ATOM 0 H SER A 84 9.644 14.398 -3.659 1.00 0.00 H new ATOM 0 HA SER A 84 7.053 13.674 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.276 14.689 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.588 15.160 -6.488 1.00 0.00 H new ATOM 0 HG SER A 84 8.982 16.831 -5.685 1.00 0.00 H new ATOM 1147 N LEU A 85 7.939 11.353 -5.330 1.00 0.00 N ATOM 1148 CA LEU A 85 8.312 10.056 -5.884 1.00 0.00 C ATOM 1149 C LEU A 85 7.159 9.442 -6.672 1.00 0.00 C ATOM 1150 O LEU A 85 6.015 9.437 -6.217 1.00 0.00 O ATOM 1151 CB LEU A 85 8.746 9.098 -4.767 1.00 0.00 C ATOM 1152 CG LEU A 85 8.268 9.470 -3.361 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.773 9.223 -3.222 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.039 8.684 -2.312 1.00 0.00 C ATOM 0 H LEU A 85 7.120 11.332 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 85 9.149 10.214 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.379 8.100 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.835 9.044 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 85 8.456 10.532 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.452 9.493 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.235 9.830 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.560 8.169 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.687 8.961 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.882 7.617 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.102 8.910 -2.396 1.00 0.00 H new ATOM 1166 N THR A 86 7.472 8.914 -7.852 1.00 0.00 N ATOM 1167 CA THR A 86 6.466 8.286 -8.698 1.00 0.00 C ATOM 1168 C THR A 86 6.262 6.833 -8.285 1.00 0.00 C ATOM 1169 O THR A 86 7.183 6.020 -8.362 1.00 0.00 O ATOM 1170 CB THR A 86 6.883 8.360 -10.167 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.430 9.632 -10.470 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.741 8.110 -11.127 1.00 0.00 C ATOM 0 H THR A 86 8.414 8.909 -8.242 1.00 0.00 H new ATOM 0 HA THR A 86 5.526 8.823 -8.574 1.00 0.00 H new ATOM 0 HB THR A 86 7.624 7.571 -10.297 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.692 9.659 -11.414 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.106 8.177 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.330 7.116 -10.953 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.963 8.857 -10.969 1.00 0.00 H new ATOM 1180 N ILE A 87 5.054 6.513 -7.835 1.00 0.00 N ATOM 1181 CA ILE A 87 4.738 5.159 -7.400 1.00 0.00 C ATOM 1182 C ILE A 87 3.739 4.487 -8.335 1.00 0.00 C ATOM 1183 O ILE A 87 2.725 5.077 -8.706 1.00 0.00 O ATOM 1184 CB ILE A 87 4.169 5.150 -5.966 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.022 6.157 -5.843 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.268 5.460 -4.958 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.448 6.251 -4.446 1.00 0.00 C ATOM 0 H ILE A 87 4.279 7.172 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 87 5.673 4.600 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 87 3.778 4.156 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.379 7.141 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.228 5.877 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.851 5.450 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.053 4.708 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.687 6.444 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.640 6.983 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.061 5.277 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.229 6.561 -3.752 1.00 0.00 H new ATOM 1199 N SER A 88 4.034 3.244 -8.704 1.00 0.00 N ATOM 1200 CA SER A 88 3.163 2.480 -9.589 1.00 0.00 C ATOM 1201 C SER A 88 2.356 1.460 -8.796 1.00 0.00 C ATOM 1202 O SER A 88 2.915 0.527 -8.218 1.00 0.00 O ATOM 1203 CB SER A 88 3.985 1.771 -10.667 1.00 0.00 C ATOM 1204 OG SER A 88 3.368 1.887 -11.938 1.00 0.00 O ATOM 0 H SER A 88 4.871 2.745 -8.403 1.00 0.00 H new ATOM 0 HA SER A 88 2.474 3.174 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.987 2.199 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.098 0.718 -10.409 1.00 0.00 H new ATOM 0 HG SER A 88 3.270 0.997 -12.336 1.00 0.00 H new ATOM 1210 N ILE A 89 1.043 1.644 -8.768 1.00 0.00 N ATOM 1211 CA ILE A 89 0.161 0.742 -8.042 1.00 0.00 C ATOM 1212 C ILE A 89 -0.763 -0.007 -9.000 1.00 0.00 C ATOM 1213 O ILE A 89 -1.091 0.490 -10.077 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.687 1.509 -7.007 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.595 0.550 -6.230 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.501 2.599 -7.687 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.934 0.292 -6.891 1.00 0.00 C ATOM 0 H ILE A 89 0.565 2.411 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 89 0.791 0.022 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.013 1.983 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.076 -0.400 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.766 0.957 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.093 3.130 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.829 3.300 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.165 2.150 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.516 -0.396 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.476 1.232 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.775 -0.146 -7.876 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.181 -1.201 -8.594 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.072 -2.018 -9.410 1.00 0.00 C ATOM 1231 C VAL A 90 -3.339 -2.362 -8.636 1.00 0.00 C ATOM 1232 O VAL A 90 -3.292 -3.051 -7.617 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.377 -3.318 -9.884 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -0.471 -3.870 -8.797 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -2.395 -4.362 -10.326 1.00 0.00 C ATOM 0 H VAL A 90 -0.917 -1.625 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.336 -1.433 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.762 -3.071 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.007 -4.783 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.293 -3.132 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.062 -4.091 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.874 -5.262 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.052 -4.606 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.988 -3.966 -11.151 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.470 -1.872 -9.126 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.754 -2.118 -8.484 1.00 0.00 C ATOM 1247 C ALA A 91 -6.046 -3.611 -8.387 1.00 0.00 C ATOM 1248 O ALA A 91 -5.874 -4.349 -9.356 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.866 -1.410 -9.241 1.00 0.00 C ATOM 0 H ALA A 91 -4.524 -1.300 -9.969 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.706 -1.719 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.820 -1.602 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.673 -0.337 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.903 -1.782 -10.265 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.496 -4.040 -7.208 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.832 -5.443 -6.957 1.00 0.00 C ATOM 1257 C ALA A 92 -5.613 -6.264 -6.539 1.00 0.00 C ATOM 1258 O ALA A 92 -5.759 -7.328 -5.937 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.501 -6.069 -8.172 1.00 0.00 C ATOM 0 H ALA A 92 -6.638 -3.429 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.535 -5.454 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.740 -7.111 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.418 -5.526 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.825 -6.019 -9.026 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.412 -5.777 -6.848 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.193 -6.492 -6.482 1.00 0.00 C ATOM 1267 C ALA A 93 -3.152 -6.761 -4.979 1.00 0.00 C ATOM 1268 O ALA A 93 -2.490 -7.692 -4.517 1.00 0.00 O ATOM 1269 CB ALA A 93 -1.971 -5.701 -6.918 1.00 0.00 C ATOM 0 H ALA A 93 -4.259 -4.900 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.188 -7.453 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.068 -6.244 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.993 -5.564 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.974 -4.727 -6.428 1.00 0.00 H new ATOM 1275 N GLY A 94 -3.869 -5.934 -4.226 1.00 0.00 N ATOM 1276 CA GLY A 94 -3.924 -6.077 -2.783 1.00 0.00 C ATOM 1277 C GLY A 94 -5.332 -6.351 -2.289 1.00 0.00 C ATOM 1278 O GLY A 94 -5.526 -7.003 -1.263 1.00 0.00 O ATOM 0 H GLY A 94 -4.419 -5.158 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.268 -6.891 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.547 -5.168 -2.315 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.316 -5.828 -3.017 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.721 -5.988 -2.658 1.00 0.00 C ATOM 1284 C ARG A 95 -8.094 -7.459 -2.526 1.00 0.00 C ATOM 1285 O ARG A 95 -8.921 -7.823 -1.690 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.616 -5.329 -3.713 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.131 -3.962 -4.169 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.175 -3.259 -5.024 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.422 -3.038 -4.296 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.450 -2.343 -4.779 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.382 -1.799 -5.988 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.548 -2.192 -4.052 1.00 0.00 N ATOM 0 H ARG A 95 -6.163 -5.285 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.874 -5.503 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.683 -5.987 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.623 -5.230 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.898 -3.348 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.208 -4.073 -4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.780 -2.302 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.376 -3.856 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.510 -3.440 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.539 -1.912 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.172 -1.268 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.605 -2.608 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.335 -1.660 -4.422 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.482 -8.305 -3.349 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.759 -9.739 -3.313 1.00 0.00 C ATOM 1308 C GLU A 96 -7.708 -10.263 -1.879 1.00 0.00 C ATOM 1309 O GLU A 96 -8.622 -10.952 -1.425 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.755 -10.498 -4.181 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.322 -11.764 -4.802 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.242 -12.716 -5.275 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.687 -13.451 -4.431 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -5.949 -12.726 -6.490 1.00 0.00 O ATOM 0 H GLU A 96 -6.793 -8.025 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.762 -9.901 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.404 -9.840 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.887 -10.758 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.954 -12.271 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.960 -11.497 -5.644 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.636 -9.922 -1.170 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.469 -10.347 0.215 1.00 0.00 C ATOM 1323 C LEU A 97 -7.440 -9.606 1.129 1.00 0.00 C ATOM 1324 O LEU A 97 -8.061 -10.205 2.008 1.00 0.00 O ATOM 1325 CB LEU A 97 -5.031 -10.101 0.675 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.949 -10.559 -0.303 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.578 -10.085 0.153 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.973 -12.073 -0.451 1.00 0.00 C ATOM 0 H LEU A 97 -5.871 -9.353 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.684 -11.414 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.903 -9.035 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.878 -10.611 1.626 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.155 -10.115 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.822 -10.421 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.568 -8.996 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.360 -10.497 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.197 -12.383 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.793 -12.536 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.947 -12.386 -0.828 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.565 -8.300 0.915 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.459 -7.468 1.717 1.00 0.00 C ATOM 1342 C PHE A 98 -9.883 -8.019 1.700 1.00 0.00 C ATOM 1343 O PHE A 98 -10.631 -7.862 2.664 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.450 -6.027 1.197 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.782 -5.057 2.128 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.495 -4.459 3.155 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.442 -4.740 1.975 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.884 -3.565 4.013 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.825 -3.846 2.829 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.547 -3.258 3.849 1.00 0.00 C ATOM 0 H PHE A 98 -7.057 -7.792 0.191 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.099 -7.480 2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.943 -6.001 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.477 -5.705 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.541 -4.695 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.873 -5.197 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.450 -3.107 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.780 -3.607 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.067 -2.559 4.518 1.00 0.00 H new ATOM 1454 N ILE B 115 0.666 -1.961 9.914 1.00 0.00 N ATOM 1455 CA ILE B 115 0.088 -0.775 9.297 1.00 0.00 C ATOM 1456 C ILE B 115 0.955 0.456 9.547 1.00 0.00 C ATOM 1457 O ILE B 115 1.298 0.766 10.688 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.333 -0.500 9.826 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.173 -1.777 9.776 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.994 0.607 9.019 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.572 -1.603 10.325 1.00 0.00 C ATOM 0 HA ILE B 115 0.039 -0.971 8.226 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.262 -0.173 10.863 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.237 -2.120 8.743 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.665 -2.559 10.340 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.997 0.789 9.405 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.403 1.519 9.100 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.057 0.307 7.973 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.110 -2.549 10.258 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.517 -1.290 11.368 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.098 -0.844 9.746 1.00 0.00 H new ATOM 1473 N THR B 116 1.306 1.154 8.471 1.00 0.00 N ATOM 1474 CA THR B 116 2.132 2.352 8.572 1.00 0.00 C ATOM 1475 C THR B 116 1.472 3.528 7.860 1.00 0.00 C ATOM 1476 O THR B 116 1.060 3.415 6.706 1.00 0.00 O ATOM 1477 CB THR B 116 3.516 2.094 7.977 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.082 0.912 8.515 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.494 3.224 8.223 1.00 0.00 C ATOM 0 H THR B 116 1.031 0.910 7.519 1.00 0.00 H new ATOM 0 HA THR B 116 2.239 2.602 9.628 1.00 0.00 H new ATOM 0 HB THR B 116 3.355 2.001 6.903 1.00 0.00 H new ATOM 0 HG1 THR B 116 5.058 0.994 8.529 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.456 2.976 7.775 1.00 0.00 H new ATOM 0 HG22 THR B 116 4.110 4.141 7.776 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.620 3.369 9.296 1.00 0.00 H new ATOM 1487 N GLU B 117 1.372 4.655 8.557 1.00 0.00 N ATOM 1488 CA GLU B 117 0.760 5.852 7.990 1.00 0.00 C ATOM 1489 C GLU B 117 1.797 6.704 7.265 1.00 0.00 C ATOM 1490 O GLU B 117 2.882 6.958 7.789 1.00 0.00 O ATOM 1491 CB GLU B 117 0.083 6.674 9.088 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.257 6.111 9.531 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.573 6.431 10.979 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.636 7.630 11.323 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -1.758 5.481 11.769 1.00 0.00 O ATOM 0 H GLU B 117 1.706 4.765 9.514 1.00 0.00 H new ATOM 0 HA GLU B 117 0.008 5.536 7.267 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.747 6.730 9.950 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.061 7.694 8.730 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.045 6.513 8.894 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.256 5.030 9.393 1.00 0.00 H new ATOM 1502 N LEU B 118 1.456 7.142 6.058 1.00 0.00 N ATOM 1503 CA LEU B 118 2.356 7.969 5.261 1.00 0.00 C ATOM 1504 C LEU B 118 1.819 9.391 5.132 1.00 0.00 C ATOM 1505 O LEU B 118 0.707 9.556 4.588 1.00 0.00 O ATOM 1506 CB LEU B 118 2.548 7.357 3.872 1.00 0.00 C ATOM 1507 CG LEU B 118 3.060 5.913 3.865 1.00 0.00 C ATOM 1508 CD1 LEU B 118 1.956 4.954 3.444 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.266 5.777 2.945 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.514 10.326 5.580 1.00 0.00 O ATOM 0 H LEU B 118 0.563 6.938 5.610 1.00 0.00 H new ATOM 0 HA LEU B 118 3.319 8.009 5.770 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.596 7.392 3.342 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.248 7.977 3.312 1.00 0.00 H new ATOM 0 HG LEU B 118 3.370 5.655 4.878 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.340 3.934 3.445 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.123 5.029 4.143 1.00 0.00 H new ATOM 0 HD13 LEU B 118 1.613 5.211 2.442 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.615 4.745 2.953 1.00 0.00 H new ATOM 0 HD22 LEU B 118 3.983 6.056 1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.064 6.433 3.292 1.00 0.00 H new